(function(nb,ob,pb,qb,C,rb,ca,Y,ja,P,O,x,sb,V,tb,Q,L,F,$a,ka,Ea,ub,lb,vb,oa,Fa,Ka,H,wb,xb,xa,yb,zb,Ab,Bb,La,Cb,Db,Eb,Fb,Gb,Hb,Ib,Jb,Kb,Lb,Mb,Nb,Ob,Pb,Qb,Rb,Sb,Tb,Ub,e,n,mb){ca("J.adapter.smarter");ja(["JS.Symmetry","JU.P3","$.SB"],"J.adapter.smarter.XtalSymmetry","java.util.HashSet $.Hashtable JU.BS $.Lst $.M3 $.M4 $.P3i $.PT $.V3 J.adapter.smarter.Atom JS.SpaceGroup $.SymmetryOperation $.UnitCell JU.BSUtil $.Logger $.SimpleUnitCell".split(" "),function(){var c=O(function(){this.acr=null;this.applySymmetryToBonds=
!1;this.baseSymmetry=this.asc=null;this.bondCount0=0;this.bondsFound=null;this.crystalReaderLatticeOpsOnly=this.checkNearAtoms=this.checkAll=this.centroidPacked=!1;this.disorderMap=null;this.disorderMapMax=0;this.doCentroidUnitCell=!1;this.doNormalize=!0;this.doPackUnitCell=!1;this.filterSymop=null;this.firstAtom=0;this.latticeCells=null;this.latticeOp=0;this.mTemp=this.maxXYZ0=this.minXYZ0=this.maxXYZ=this.minXYZ=this.mident=null;this.ndims=3;this.packingRange=this.noSymmetryCount=0;this.ptTemp=
this.ptOffset=null;this.rmaxz=this.rmaxy=this.rmaxx=this.rminz=this.rminy=this.rminx=0;this.symmetry=null;this.symmetryRange=0;this.unitCellTranslations=this.unitCellParams=this.trajectoryUnitCells=null;P(this,arguments)},J.adapter.smarter,"XtalSymmetry",null);ka(c,function(){this.bondsFound=new JU.SB;this.ptOffset=new JU.P3});V(c,function(){});e(c,"addRotatedTensor",function(a,b,f,d,r){null==this.ptTemp&&(this.ptTemp=new JU.P3,this.mTemp=new JU.M3);return a.addTensor(this.acr.getInterface("JU.Tensor").setFromEigenVectors(r.rotateAxes(f,
b.eigenVectors,this.ptTemp,this.mTemp),b.eigenValues,b.isIsotropic?"iso":b.type,b.id,b),null,d)},"J.adapter.smarter.Atom,JU.Tensor,~N,~B,J.adapter.smarter.XtalSymmetry.FileSymmetry");e(c,"applySymmetryBio",function(a,b,f){var d=a.get("biomts"),r=d.size();null==this.mident&&(this.mident=new JU.M4,this.mident.setIdentity());this.acr.lstNCS=null;this.setLatticeCells();var c=null!=this.latticeCells&&0!=this.latticeCells[0]?L(3,0):null;if(null!=c)for(var g=0;3>g;g++)c[g]=this.latticeCells[g];this.latticeCells=
null;var c=this.acr.getFilterWithCase("BMCHAINS"),h=null==c?-1:2>c.length?0:JU.PT.parseInt(c.substring(1));-2147483648==h&&(h=-c.charAt(1).charCodeAt(0));var e=0<=f.indexOf("BYCHAIN")?1:0<=f.indexOf("BYSYMOP")?2:0;this.doNormalize=!1;var j=a.get("chains");(this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry).setSpaceGroup(this.doNormalize);this.addSpaceGroupOperation("x,y,z",!1);c=a.get("name");this.setAtomSetSpaceGroupName(this.acr.sgName=c);this.applySymmetryToBonds=b;this.bondCount0=
this.asc.bondCount;this.firstAtom=this.asc.getLastAtomSetAtomIndex();var c=this.asc.ac,m=new java.util.Hashtable,s=0,p=this.asc.atoms;b=this.bondCount0>this.asc.bondIndex0&&b;switch(e){case 1:for(g=c;--g>=this.firstAtom;){var v=Integer.$valueOf(p[g].chainID),q=m.get(v);null==q&&(s++,m.put(v,q=new JU.BS));q.set(g)}this.asc.bsAtoms=new JU.BS;for(g=0;g<s;g++)this.asc.bsAtoms.set(c+g),b=new J.adapter.smarter.Atom,b.set(0,0,0),b.radius=16,this.asc.addAtom(b);for(var u=0,t,m=m.entrySet().iterator();m.hasNext()&&
((t=m.next())||1);){b=p[c+u++];q=t.getValue();for(g=q.nextSetBit(0);0<=g;g=q.nextSetBit(g+1))b.add(p[g]);b.scale(1/q.cardinality());b.atomName="Pt"+u;b.chainID=t.getKey().intValue()}this.firstAtom=c;c+=s;b=!1;break;case 2:this.asc.bsAtoms=new JU.BS;this.asc.bsAtoms.set(c);b=p[c]=new J.adapter.smarter.Atom;b.set(0,0,0);for(g=c;--g>=this.firstAtom;)b.add(p[g]);b.scale(1/(c-this.firstAtom));b.atomName="Pt";b.radius=16;this.asc.addAtom(b);this.firstAtom=c++;b=!1}s=a.get("asemblyIdAtoms");0<=f.indexOf("#<")&&
(r=Math.min(r,JU.PT.parseInt(f.substring(f.indexOf("#<")+2))-1),f=JU.PT.rep(f,"#<","_<"));g=0;for(m=this.firstAtom;m<c;m++)p[m].bsSymmetry=new JU.BS,a=p[m].chainID,a>g&&(g=a);a=this.asc.bsAtoms;q=b?L(this.asc.ac,0):null;for(u=null==j?1:0;u<r;u++){if(0<=f.indexOf("!#")){if(0<=f.indexOf("!#"+(u+1)+";"))continue}else if(0<=f.indexOf("#")&&0>f.indexOf("#"+(u+1)+";"))continue;var w=d.get(u),n=!w.equals(this.mident),y=null==j?null:j.get(u);if(null!=y&&null!=s){a=new JU.BS;for(m=s.entrySet().iterator();m.hasNext()&&
((t=m.next())||1);)0<=y.indexOf(":"+t.getKey()+";")&&a.or(t.getValue());null!=this.asc.bsAtoms&&a.and(this.asc.bsAtoms);y=null}for(var B=-1,A=!1,m=this.firstAtom;m<c;m++){if(null!=a)A=!a.get(m);else if(null!=y&&(v=p[m].chainID)!=B)A=0>y.indexOf(":"+this.acr.vwr.getChainIDStr(B=v)+";");if(!A)try{var D=p[m].atomSite,z;b&&(q[D]=this.asc.ac);z=this.asc.newCloneAtom(p[m]);z.bondingRadius=u;this.asc.atomSymbolicMap.put(""+z.atomSerial,z);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(z.index);z.atomSite=
D;n&&w.rotTrans(z);z.bsSymmetry=JU.BSUtil.newAndSetBit(u)}catch(x){if(Q(x,Exception))this.asc.errorMessage="appendAtomCollection error: "+x;else throw x;}}n&&this.symmetry.addBioMoleculeOperation(w,!1);if(b)for(w=this.asc.bondIndex0;w<this.bondCount0;w++)m=this.asc.bonds[w],this.asc.addNewBondWithOrder(q[p[m.atomIndex1].atomSite],q[p[m.atomIndex2].atomSite],m.order)}if(null!=j){null==this.asc.bsAtoms&&(this.asc.bsAtoms=JU.BSUtil.newBitSet2(0,this.asc.ac));this.asc.bsAtoms.clearBits(this.firstAtom,
c);if(0==e){if(-1!=h){v=(d=0!=h)?new JU.BS:null;p=this.asc.atoms;D=0;d&&(D=0>h?Math.max(-h,g+1):Math.max(g+h,65),v.setBits(0,D-1),v.setBits(91,97),v.setBits(123,200));e=1==this.asc.structureCount?this.asc.structures[0].bsAll:null;j=new java.util.Hashtable;z=new java.util.Hashtable;m=null==e?null:new java.util.Hashtable;s=null;g=c;for(q=this.asc.ac;g<q;g++)u=p[g].chainID,n=p[g].bsSymmetry.nextSetBit(0),h=this.acr.vwr.getChainIDStr(u),w=0==n?h:h+n,f=j.get(w),null==f&&(d&&0!=n&&(n=200>D?v.nextClearBit(D):
200,200>n&&(v.set(n),f=Integer.$valueOf(this.acr.vwr.getChainID(""+String.fromCharCode(n),!0)),D=n)),null==f&&(f=Integer.$valueOf(this.acr.vwr.getChainID(w,!0))),w!==h&&(z.put(f,Integer.$valueOf(u)),null!=e&&(null!=s&&(s[1]=g),m.put(f,s=L(-1,[g,q])))),j.put(w,f)),p[g].chainID=f.intValue();if(0<this.asc.structureCount){p=this.asc.structures;d=this.asc.structureCount;for(m=z.entrySet().iterator();m.hasNext()&&((t=m.next())||1);){f=t.getKey();f=f.intValue();h=t.getValue().intValue();for(g=0;g<d;g++)v=
p[g],null==v.bsAll&&(v.startChainID==v.endChainID?v.startChainID==h&&(v=v.clone(),v.startChainID=v.endChainID=f,this.asc.addStructure(v)):System.err.println("XtalSymmetry not processing biomt chain structure "+this.acr.vwr.getChainIDStr(h)+" to "+this.acr.vwr.getChainIDStr(f)))}}}t=this.asc.getAtomSetAuxiliaryInfoValue(-1,"PDB_CONECT_bonds");if(!b&&null!=t)for(g=t.size();0<=--g;)if(m=t.get(g),b=this.asc.getAtomFromName(""+m[0]),p=this.asc.getAtomFromName(""+m[1]),null!=b&&null!=p&&b.bondingRadius!=
p.bondingRadius&&(null==a||a.get(b.index)&&a.get(p.index))&&25<b.distanceSquared(p))t.removeItemAt(g),System.out.println("XtalSymmetry: long interchain bond removed for @"+b.atomSerial+"-@"+p.atomSerial)}g=c;for(q=this.asc.ac;g<q;g++)this.asc.atoms[g].bondingRadius=NaN}this.noSymmetryCount=c-this.firstAtom;this.finalizeSymmetry(this.symmetry);this.setCurrentModelInfo(r,null,null);this.reset()},"java.util.Map,~B,~S");e(c,"getBaseSymmetry",function(){return null==this.baseSymmetry?this.symmetry:this.baseSymmetry});
e(c,"getOverallSpan",function(){return null==this.maxXYZ0?JU.V3.new3(this.maxXYZ.x-this.minXYZ.x,this.maxXYZ.y-this.minXYZ.y,this.maxXYZ.z-this.minXYZ.z):JU.V3.newVsub(this.maxXYZ0,this.minXYZ0)});e(c,"getSymmetry",function(){return null==this.symmetry?this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry:this.symmetry});e(c,"isWithinCell",function(a,b,f,d,r,c,g,h,e){return b.x>f-e&&b.x<d+e&&(2>a||b.y>r-e&&b.y<c+e)&&(3>a||b.z>g-e&&b.z<h+e)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");e(c,"set",function(a){this.acr=
a;this.asc=a.asc;this.getSymmetry();return this},"J.adapter.smarter.AtomSetCollectionReader");e(c,"setLatticeParameter",function(a){this.symmetry.setSpaceGroup(this.doNormalize);this.symmetry.setLattice(a)},"~N");e(c,"addSpaceGroupOperation",function(a,b){this.symmetry.setSpaceGroup(this.doNormalize);b&&1==this.symmetry.getSpaceGroupOperationCount()&&this.setLatticeCells();return this.symmetry.addSpaceGroupOperation(a,0)},"~S,~B");e(c,"applySymmetryFromReader",function(a){this.asc.setCoordinatesAreFractional(this.acr.iHaveFractionalCoordinates);
this.setAtomSetSpaceGroupName(this.acr.sgName);this.symmetryRange=this.acr.symmetryRange;this.asc.setInfo("symmetryRange",Float.$valueOf(this.symmetryRange));if(this.acr.doConvertToFractional||this.acr.fileCoordinatesAreFractional){this.setLatticeCells();var b=!0;if(this.acr.ignoreFileSpaceGroupName||!this.acr.iHaveSymmetryOperators){if(!this.acr.merging||null==a)a=new J.adapter.smarter.XtalSymmetry.FileSymmetry;0==this.acr.unitCellParams[0]&&0==this.acr.unitCellParams[2]&&JU.SimpleUnitCell.fillParams(null,
null,null,this.acr.unitCellParams);b=a.createSpaceGroup(this.acr.desiredSpaceGroupIndex,0<=this.acr.sgName.indexOf("!")?"P1":this.acr.sgName,this.acr.unitCellParams,this.acr.modDim)}else this.acr.doPreSymmetry(),a=null;this.packingRange=this.acr.getPackingRangeValue(0);b?(null!=a&&this.getSymmetry().setSpaceGroupTo(a.getSpaceGroup()),this.applySymmetryLattice(),null!=a&&null==this.filterSymop&&this.setAtomSetSpaceGroupName(a.getSpaceGroupName())):this.setUnitCellSafely()}if(this.acr.iHaveFractionalCoordinates&&
this.acr.merging&&null!=a){for(var b=this.asc.atoms,f=this.asc.getLastAtomSetAtomIndex(),d=this.asc.ac;f<d;f++)a.toCartesian(b[f],!0);this.asc.setCoordinatesAreFractional(!1);this.acr.addVibrations=!1}return this.symmetry},"J.adapter.smarter.XtalSymmetry.FileSymmetry");e(c,"setSymmetry",function(a){return this.symmetry=a},"J.adapter.smarter.XtalSymmetry.FileSymmetry");e(c,"setTensors",function(){for(var a=this.asc.ac,b=this.asc.getLastAtomSetAtomIndex();b<a;b++){var f=this.asc.atoms[b];null!=f.anisoBorU&&
(f.addTensor(this.symmetry.getTensor(this.acr.vwr,f.anisoBorU),null,!1),Float.isNaN(f.bfactor)&&(f.bfactor=100*f.anisoBorU[7]),f.anisoBorU=null)}});e(c,"adjustRangeMinMax",function(a){var b=new JU.P3,f=new JU.P3,d=new JU.P3;this.acr.forcePacked&&(b.setT(a[1]),f.setT(a[2]),d.setT(a[3]),b.scale(this.packingRange),f.scale(this.packingRange),d.scale(this.packingRange));a[0].scaleAdd2(this.minXYZ.x,a[1],a[0]);a[0].scaleAdd2(this.minXYZ.y,a[2],a[0]);a[0].scaleAdd2(this.minXYZ.z,a[3],a[0]);a[0].sub(b);a[0].sub(f);
a[0].sub(d);var r=JU.P3.newP(a[0]);this.symmetry.toFractional(r,!0);this.setSymmetryMinMax(r);a[1].scale(this.maxXYZ.x-this.minXYZ.x);a[2].scale(this.maxXYZ.y-this.minXYZ.y);a[3].scale(this.maxXYZ.z-this.minXYZ.z);a[1].scaleAdd2(2,b,a[1]);a[2].scaleAdd2(2,f,a[2]);a[3].scaleAdd2(2,d,a[3]);for(b=0;3>b;b++)for(f=b+1;4>f;f++)r.add2(a[b],a[f]),0!=b&&r.add(a[0]),this.symmetry.toFractional(r,!1),this.setSymmetryMinMax(r);this.symmetry.toCartesian(r,!1);r.add(a[1]);this.symmetry.toFractional(r,!1);this.setSymmetryMinMax(r);
this.minXYZ=JU.P3i.new3(C(Math.min(0,Math.floor(this.rminx+0.001))),C(Math.min(0,Math.floor(this.rminy+0.001))),C(Math.min(0,Math.floor(this.rminz+0.001))));this.maxXYZ=JU.P3i.new3(C(Math.max(1,Math.ceil(this.rmaxx-0.001))),C(Math.max(1,Math.ceil(this.rmaxy-0.001))),C(Math.max(1,Math.ceil(this.rmaxz-0.001))))},"~A");e(c,"applyAllSymmetry",function(a,b){if(!(0==this.asc.ac||null!=b&&b.isEmpty())){var f=this.noSymmetryCount=0<this.asc.baseSymmetryAtomCount?this.asc.baseSymmetryAtomCount:null==b?this.asc.getLastAtomSetAtomCount():
this.asc.ac-b.nextSetBit(this.asc.getLastAtomSetAtomIndex());this.asc.setTensors();this.applySymmetryToBonds=this.acr.applySymmetryToBonds;this.doPackUnitCell=this.acr.doPackUnitCell&&!this.applySymmetryToBonds;this.bondCount0=this.asc.bondCount;this.ndims=JU.SimpleUnitCell.getDimensionFromParams(this.acr.unitCellParams);this.finalizeSymmetry(this.symmetry);var d=this.symmetry.getSpaceGroupOperationCount(),r=null==this.acr.thisBiomolecule?null:new JU.BS;this.checkNearAtoms=this.acr.checkNearAtoms||
null!=r;JU.SimpleUnitCell.setMinMaxLatticeParameters(this.ndims,this.minXYZ,this.maxXYZ,0);this.latticeOp=this.symmetry.getLatticeOp();this.crystalReaderLatticeOpsOnly=this.asc.crystalReaderLatticeOpsOnly&&0<=this.latticeOp;this.doCentroidUnitCell&&this.asc.setInfo("centroidMinMax",L(-1,[this.minXYZ.x,this.minXYZ.y,this.minXYZ.z,this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z,this.centroidPacked?x(100*this.packingRange):0]));if(this.doCentroidUnitCell||this.acr.doPackUnitCell||0!=this.symmetryRange&&1==
this.maxXYZ.x-this.minXYZ.x&&1==this.maxXYZ.y-this.minXYZ.y&&1==this.maxXYZ.z-this.minXYZ.z)switch(this.minXYZ0=JU.P3.new3(this.minXYZ.x,this.minXYZ.y,this.minXYZ.z),this.maxXYZ0=JU.P3.new3(this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z),null!=a&&(a.setMinMax0(this.minXYZ0,this.maxXYZ0),this.minXYZ.set(x(this.minXYZ0.x),x(this.minXYZ0.y),x(this.minXYZ0.z)),this.maxXYZ.set(x(this.maxXYZ0.x),x(this.maxXYZ0.y),x(this.maxXYZ0.z))),this.ndims){case 3:this.minXYZ.z--,this.maxXYZ.z++;case 2:this.minXYZ.y--,this.maxXYZ.y++;
case 1:this.minXYZ.x--,this.maxXYZ.x++}for(var c=(this.maxXYZ.x-this.minXYZ.x)*(this.maxXYZ.y-this.minXYZ.y)*(this.maxXYZ.z-this.minXYZ.z),g=f*(this.crystalReaderLatticeOpsOnly?4:d),g=this.checkNearAtoms||null!=this.acr.thisBiomolecule?g*c:0<this.symmetryRange?g:1,h=Array(g),e=this.asc.atoms,j=0;j<f;j++)e[this.firstAtom+j].bsSymmetry=JU.BS.newN(d*(c+1));var m=0;this.unitCellTranslations=Array(c);var s=0,p=0,v=Math.abs(this.symmetryRange),q=0!=this.symmetryRange,u=0>this.symmetryRange,t=0<this.symmetryRange;
q&&(this.rminx=this.rminy=this.rminz=3.4028235E38,this.rmaxx=this.rmaxy=this.rmaxz=-3.4028235E38);var w=this.symmetry,n=w;this.checkAll=this.crystalReaderLatticeOpsOnly||1==this.asc.atomSetCount&&this.checkNearAtoms&&0<=this.latticeOp;var y=this.acr.lstNCS;if(null!=y&&0==y.get(0).m33){for(var B=w.getSpaceGroupOperationCount(),A=y.size(),j=A;0<=--j;){var D=y.get(j);D.m33=1;w.toFractionalM(D)}for(j=1;j<B;j++)for(var z=w.getSpaceGroupOperation(j),ga=0;ga<A;ga++)D=JU.M4.newM4(y.get(ga)),D.mul2(z,D),this.doNormalize&&
0<this.noSymmetryCount&&JS.SymmetryOperation.normalizeOperationToCentroid(3,D,e,this.firstAtom,this.noSymmetryCount),y.addLast(D)}j=null;y=w.getSpaceGroupOperation(0);this.doPackUnitCell&&(j=new JU.P3,this.ptOffset.set(0,0,0));B=this.bondCount0>this.asc.bondIndex0&&this.applySymmetryToBonds?L(f,0):null;c=L(c,0);for(A=this.minXYZ.x;A<this.maxXYZ.x;A++)for(D=this.minXYZ.y;D<this.maxXYZ.y;D++)for(z=this.minXYZ.z;z<this.maxXYZ.z;z++)if(this.unitCellTranslations[s]=JU.V3.new3(A,D,z),c[s++]=555+100*A+10*
D+z,!(0!=A||0!=D||0!=z||0==h.length)){for(m=0;m<f;m++){p=e[this.firstAtom+m];null!=a&&(w=a.getAtomSymmetry(p,this.symmetry),w!==n&&(0==w.getSpaceGroupOperationCount()&&this.finalizeSymmetry(w),n=w,y=w.getSpaceGroupOperation(0)));ga=JU.P3.newP(p);y.rotTrans(ga);w.toCartesian(ga,!1);if(this.doPackUnitCell)if(w.toUnitCellRnd(ga,this.ptOffset),j.setT(ga),w.toFractional(j,!1),this.acr.fixFloatPt(j,1E5),null==b)p.setT(j);else if(1E-4>p.distance(j))b.set(p.index);else{b.clear(p.index);continue}null!=b&&
p.bsSymmetry.clearAll();p.bsSymmetry.set(s*d);p.bsSymmetry.set(0);q&&this.setSymmetryMinMax(ga);m<g&&(h[m]=ga)}u&&(this.rminx-=v,this.rminy-=v,this.rminz-=v,this.rmaxx+=v,this.rmaxy+=v,this.rmaxz+=v);p=m=this.symmetryAddAtoms(0,0,0,0,m,s*d,h,a,r,B)}t&&(this.rminx-=v,this.rminy-=v,this.rminz-=v,this.rmaxx+=v,this.rmaxy+=v,this.rmaxz+=v);s=0;for(A=this.minXYZ.x;A<this.maxXYZ.x;A++)for(D=this.minXYZ.y;D<this.maxXYZ.y;D++)for(z=this.minXYZ.z;z<this.maxXYZ.z;z++)if(s++,0!=A||0!=D||0!=z)m=this.symmetryAddAtoms(A,
D,z,p,m,s*d,h,a,r,B);s*f==this.asc.ac-this.firstAtom&&this.duplicateAtomProperties(s);this.setCurrentModelInfo(f,w,c);this.unitCellParams=null;this.reset()}},"J.adapter.smarter.MSInterface,JU.BS");e(c,"applyRangeSymmetry",function(a){var b=this.acr.fillRange;a=this.updateBSAtoms();this.acr.forcePacked=!0;this.doPackUnitCell=!1;for(var f=JU.P3i.new3(this.minXYZ.x,this.minXYZ.y,this.minXYZ.z),d=JU.P3i.new3(this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z),r=Array(4),c=0;4>c;c++)r[c]=JU.P3.newP(b[c]);this.setUnitCellSafely();
this.adjustRangeMinMax(r);b=new J.adapter.smarter.XtalSymmetry.FileSymmetry;b.getUnitCell(this.acr.fillRange,!1,null);this.applyAllSymmetry(this.acr.ms,a);for(var r=new JU.P3,g=this.asc.atoms,c=this.asc.ac;--c>=this.firstAtom;)r.setT(g[c]),this.symmetry.toCartesian(r,!1),b.toFractional(r,!1),(this.acr.noPack?!this.removePacking(this.ndims,r,f.x,d.x,f.y,d.y,f.z,d.z,this.packingRange):!this.isWithinCell(this.ndims,r,f.x,d.x,f.y,d.y,f.z,d.z,this.packingRange))&&a.clear(c)},"JU.BS");e(c,"applySuperSymmetry",
function(a,b,f,d,r,c,g){this.asc.setGlobalBoolean(7);var h=this.doPackUnitCell;this.doPackUnitCell=h;this.applyAllSymmetry(this.acr.ms,null);this.doPackUnitCell=h;for(var h=this.asc.atoms,e=this.asc.ac,j=f;j<e;j++)this.symmetry.toCartesian(h[j],!0),b.set(j);this.asc.setCurrentModelInfo("unitcell_conventional",this.symmetry.getV0abc("a,b,c",null));b=c[0];j=c[1];c=c[2];this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry;this.setUnitCell(F(-1,[0,0,0,0,0,0,b.x,b.y,b.z,j.x,j.y,j.z,c.x,c.y,c.z,
0,0,0,0,0,0,NaN,NaN,NaN,NaN,NaN,g]),null,null);a=null==d||null==a?"P1":"cell="+a;this.setAtomSetSpaceGroupName(a);this.symmetry.setSpaceGroupName(a);this.symmetry.setSpaceGroup(this.doNormalize);this.symmetry.addSpaceGroupOperation("x,y,z",0);null!=r&&0==r.length()&&(r=null);null!=r&&this.symmetry.toFractional(r,!0);for(j=f;j<e;j++)this.symmetry.toFractional(h[j],!0),null!=r&&h[j].sub(r);this.asc.haveAnisou=!1;this.asc.setCurrentModelInfo("matUnitCellOrientation",null)},"~S,JU.BS,~N,~A,JU.P3,~A,~N");
e(c,"applySymmetryLattice",function(){if(this.asc.coordinatesAreFractional&&null!=this.symmetry.getSpaceGroup()){var a=this.latticeCells[0],b=this.latticeCells[1],f=Math.abs(this.latticeCells[2]),d=this.latticeCells[3];this.firstAtom=this.asc.getLastAtomSetAtomIndex();var r=this.asc.bsAtoms;null!=r&&(this.updateBSAtoms(),this.firstAtom=r.nextSetBit(this.firstAtom));this.rminx=this.rminy=this.rminz=3.4028235E38;this.rmaxx=this.rmaxy=this.rmaxz=-3.4028235E38;null==this.acr.latticeType&&(this.acr.latticeType=
""+this.symmetry.getLatticeType());this.acr.isPrimitive&&(this.asc.setCurrentModelInfo("isprimitive",Boolean.TRUE),(!"P".equals(this.acr.latticeType)||null!=this.acr.primitiveToCrystal)&&this.asc.setCurrentModelInfo("unitcell_conventional",this.symmetry.getConventionalUnitCell(this.acr.latticeType,this.acr.primitiveToCrystal)));this.setUnitCellSafely();this.asc.setCurrentModelInfo("f2c",this.symmetry.getUnitCellF2C());var c=this.symmetry.getSpaceGroupTitle();0>c.indexOf("--")&&this.asc.setCurrentModelInfo("f2cTitle",
c);this.asc.setCurrentModelInfo("f2cParams",this.symmetry.getUnitCellParams());null!=this.acr.latticeType&&(this.asc.setCurrentModelInfo("latticeType",this.acr.latticeType),"string"==typeof this.acr.fillRange&&(c=this.setLatticeRange(this.acr.latticeType,this.acr.fillRange),null==c?(this.acr.appendLoadNote(this.acr.fillRange+" symmetry could not be implemented"),this.acr.fillRange=null):this.acr.fillRange=c));this.baseSymmetry=this.symmetry;if(null!=this.acr.fillRange)this.setMinMax(this.ndims,d,
a,b,f),this.applyRangeSymmetry(r);else{var c=null,g=1E-6;this.baseSymmetry.nVib=0;var h=this.acr.strSupercell,e=null!=h&&0<=h.indexOf(","),j=null,m=null,s=Array(3);e&&(j=new JU.M4,null==this.mident&&(this.mident=new JU.M4),this.setUnitCellSafely(),c=this.symmetry.getV0abc(h,j),j.transpose33(),null!=c&&!j.equals(this.mident)&&(this.setMinMax(this.ndims,d,a,b,f),m=JU.P3.newP(c[0]),s[0]=JU.V3.newV(c[1]),s[1]=JU.V3.newV(c[2]),s[2]=JU.V3.newV(c[3]),this.adjustRangeMinMax(c)));e=this.asc.getLastAtomSetAtomIndex();
null!=r&&(e=r.nextSetBit(e));3.4028235E38==this.rminx?c=null:(r=this.updateBSAtoms(),g=this.symmetry.getPrecision(),this.applySuperSymmetry(h,r,e,c,m,s,g));this.setMinMax(this.ndims,d,a,b,f);if(null==c){this.applyAllSymmetry(this.acr.ms,r);if(!this.acr.noPack&&(!this.applySymmetryToBonds||!this.acr.doPackUnitCell))return;this.setMinMax(this.ndims,d,a,b,f)}(this.acr.forcePacked||this.acr.doPackUnitCell||this.acr.noPack)&&this.trimToUnitCell(e);this.updateSupercellAtomSites(j,r,g)}}});e(c,"duplicateAtomProperties",
function(a){var b=this.asc.getAtomSetAuxiliaryInfoValue(-1,"atomProperties");if(null!=b)for(var f,d=b.entrySet().iterator();d.hasNext()&&((f=d.next())||1);){var r=f.getKey(),c=f.getValue();if("string"==typeof c){for(var g=c,h=new JU.SB,c=a;0<=--c;)h.append(g);b.put(r,h.toString())}else{r=c;g=F(r.length*a,0);for(c=a;0<=--c;)System.arraycopy(r,0,g,c*r.length,r.length)}}},"~N");e(c,"finalizeSymmetry",function(a){var b=this.asc.getAtomSetAuxiliaryInfoValue(-1,"spaceGroup");a.setFinalOperations(this.ndims,
b,this.asc.atoms,this.firstAtom,this.noSymmetryCount,this.doNormalize,this.filterSymop);(null!=this.filterSymop||null==b||b.equals("unspecified!"))&&this.setAtomSetSpaceGroupName(a.getUnitCellDisplayName());null!=this.unitCellParams||Float.isNaN(this.acr.unitCellParams[0])||(a.fixUnitCell(this.acr.unitCellParams)&&this.acr.appendLoadNote("Unit cell parameters were adjusted to match space group!"),this.setUnitCellSafely())},"J.adapter.smarter.XtalSymmetry.FileSymmetry");e(c,"removePacking",function(a,
b,f,d,r,c,g,h,e){return b.x>f-e&&b.x<d-e&&(2>a||b.y>r-e&&b.y<c-e)&&(3>a||b.z>g-e&&b.z<h-e)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");e(c,"reset",function(){this.asc.coordinatesAreFractional=!1;this.asc.setCurrentModelInfo("hasSymmetry",Boolean.TRUE);this.asc.setGlobalBoolean(1)});e(c,"setAtomSetSpaceGroupName",function(a){this.symmetry.setSpaceGroupName(a);a+="";this.asc.setCurrentModelInfo("f2cTitle",a);this.asc.setCurrentModelInfo("spaceGroup",a)},"~S");e(c,"setCurrentModelInfo",function(a,b,f){null==b?
(this.asc.setCurrentModelInfo("presymmetryAtomCount",Integer.$valueOf(this.noSymmetryCount)),this.asc.setCurrentModelInfo("biosymmetryCount",Integer.$valueOf(a)),this.asc.setCurrentModelInfo("biosymmetry",this.symmetry)):(this.asc.setCurrentModelInfo("presymmetryAtomCount",Integer.$valueOf(a)),this.asc.setCurrentModelInfo("latticeDesignation",b.getLatticeDesignation()),this.asc.setCurrentModelInfo("ML_unitCellRange",f),this.acr.isSUPERCELL&&this.asc.setCurrentModelInfo("supercell",this.acr.strSupercell));
this.asc.setCurrentModelInfo("presymmetryAtomIndex",Integer.$valueOf(this.firstAtom));a=this.symmetry.getSpaceGroupOperationCount();0<a&&(this.asc.setCurrentModelInfo("symmetryOperations",this.symmetry.getSymopList(this.doNormalize)),this.asc.setCurrentModelInfo("symOpsTemp",this.symmetry.getSymmetryOperations()));this.asc.setCurrentModelInfo("symmetryCount",Integer.$valueOf(a));this.asc.setCurrentModelInfo("latticeType",null==this.acr.latticeType?"P":this.acr.latticeType);this.asc.setCurrentModelInfo("intlTableNo",
this.symmetry.getIntTableNumber());this.asc.setCurrentModelInfo("intlTableIndex",this.symmetry.getSpaceGroupInfoObj("itaIndex",null,!1,!1));this.asc.setCurrentModelInfo("intlTableTransform",this.symmetry.getSpaceGroupInfoObj("itaTransform",null,!1,!1));this.asc.setCurrentModelInfo("intlTableJmolId",this.symmetry.getSpaceGroupJmolId());this.asc.setCurrentModelInfo("spaceGroupIndex",Integer.$valueOf(this.symmetry.getSpaceGroupIndex()));this.asc.setCurrentModelInfo("spaceGroupTitle",this.symmetry.getSpaceGroupTitle());
if(null==this.acr.sgName||0<=this.acr.sgName.indexOf("?")||0<=this.acr.sgName.indexOf("!"))this.setAtomSetSpaceGroupName(this.acr.sgName=this.symmetry.getSpaceGroupName())},"~N,J.adapter.smarter.XtalSymmetry.FileSymmetry,~A");e(c,"setCurrentModelUCInfo",function(a,b,f){null!=a&&this.asc.setCurrentModelInfo("unitCellParams",a);null!=b&&this.asc.setCurrentModelInfo("unitCellOffset",b);null!=f&&this.asc.setCurrentModelInfo("matUnitCellOrientation",f)},"~A,JU.P3,JU.M3");e(c,"setLatticeCells",function(){this.latticeCells=
this.acr.latticeCells;var a=555>=this.latticeCells[0]&&555<=this.latticeCells[1]&&(0==this.latticeCells[2]||1==this.latticeCells[2]||-1==this.latticeCells[2]);this.doNormalize=0!=this.latticeCells[0]&&(!a||1==this.latticeCells[2]);this.applySymmetryToBonds=this.acr.applySymmetryToBonds;this.doPackUnitCell=this.acr.doPackUnitCell&&!this.applySymmetryToBonds;this.doCentroidUnitCell=this.acr.doCentroidUnitCell;this.centroidPacked=this.acr.centroidPacked;this.filterSymop=this.acr.filterSymop});e(c,"setLatticeRange",
function(a,b){var f=null,d="R".equals(a);b.equals("conventional")?f=this.symmetry.getConventionalUnitCell(a,this.acr.primitiveToCrystal):b.equals("primitive")?(f=this.symmetry.getUnitCellVectors(),this.symmetry.toFromPrimitive(!0,a.charAt(0),f,this.acr.primitiveToCrystal)):d&&b.equals("rhombohedral")?b=1==this.symmetry.getUnitCellInfoType(8)?"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":null:d&&b.equals("trigonal")?b=1==this.symmetry.getUnitCellInfoType(9)?"a-b,b-c,a+b+c":null:(0>b.indexOf(",")||
0>b.indexOf("a")||0>b.indexOf("b")||b.indexOf("c"),b=null);if(null!=b&&null==f&&null==(f=this.symmetry.getV0abc(b,null)))b=null;if(null==b)return null;this.acr.addJmolScript("unitcell "+JU.PT.esc(b));return f},"~S,~S");e(c,"setMinMax",function(a,b,f,d,r){this.minXYZ=new JU.P3i;this.maxXYZ=JU.P3i.new3(f,d,r);JU.SimpleUnitCell.setMinMaxLatticeParameters(a,this.minXYZ,this.maxXYZ,b)},"~N,~N,~N,~N,~N");e(c,"setSymmetryMinMax",function(a){this.rminx>a.x&&(this.rminx=a.x);this.rminy>a.y&&(this.rminy=a.y);
this.rminz>a.z&&(this.rminz=a.z);this.rmaxx<a.x&&(this.rmaxx=a.x);this.rmaxy<a.y&&(this.rmaxy=a.y);this.rmaxz<a.z&&(this.rmaxz=a.z)},"JU.P3");e(c,"setUnitCell",function(a,b,f){this.unitCellParams=F(a.length,0);for(var d=0;d<a.length;d++)this.unitCellParams[d]=a[d];this.asc.haveUnitCell=!0;this.asc.isTrajectory&&(null==this.trajectoryUnitCells&&(this.trajectoryUnitCells=new JU.Lst,this.asc.setInfo("unitCells",this.trajectoryUnitCells)),this.trajectoryUnitCells.addLast(this.unitCellParams));this.asc.setGlobalBoolean(2);
this.getSymmetry().setUnitCellFromParams(this.unitCellParams,!1,this.unitCellParams[26]);null!=f&&this.symmetry.setOffsetPt(f);null!=b&&this.symmetry.initializeOrientation(b);this.setCurrentModelUCInfo(this.unitCellParams,f,b)},"~A,JU.M3,JU.P3");e(c,"setUnitCellSafely",function(){null==this.unitCellParams&&this.setUnitCell(this.acr.unitCellParams,this.acr.matUnitCellOrientation,this.acr.unitCellOffset)});e(c,"symmetryAddAtoms",function(a,b,f,d,r,c,g,h,e,j){var m=0==d,s=null!=j;this.doPackUnitCell&&
this.ptOffset.set(a,b,f);var p=this.symmetryRange*this.symmetryRange,v=0>this.symmetryRange,q=0<this.symmetryRange,u=m&&q,q=(new Boolean(q&!m)).valueOf(),t=this.symmetry.getSpaceGroupOperationCount(),w=this.acr.lstNCS,n=null==w?0:w.size(),y=t+n,n=C(n/t),B=this.checkNearAtoms&&(1<y||this.doPackUnitCell),A=v||q,D=B||A,z=null!=e,x=B||u,sa=this.acr.isMolecular?null:this.asc.bsAtoms,I=this.symmetry;v&&(d=this.noSymmetryCount);var v=this.firstAtom+this.noSymmetryCount,F=0>this.asc.firstAtomToBond?v:this.asc.firstAtomToBond,
fa=new JU.P3,M=null,E=z?0.01:1E-4,U="\x00",P=null==sa?this.firstAtom:sa.nextSetBit(this.firstAtom),Z=0;a:for(;Z<y;Z++)if(!(m&&0==Z||this.crystalReaderLatticeOpsOnly&&0<Z&&0!=Z%this.latticeOp||null!=e&&e.get(Z))){for(var O=this.firstAtom+(B?r:q?d:0),N=Z>=t?0:0==this.asc.vibScale?I.getSpinOp(Z):this.asc.vibScale,R=Math.max(this.firstAtom,null==sa?0:sa.nextSetBit(0)),aa=D,L=Z>=t?C((Z-t)/n):Z,S=L+c;R<v;R++){var T=this.asc.atoms[R];if(null==sa||sa.get(R)){null==h?I.newSpaceGroupPoint(T,Z,Z>=t?w.get(Z-
t):null,a,b,f,fa):(I=h.getAtomSymmetry(T,this.symmetry),I.newSpaceGroupPoint(T,Z,null,a,b,f,fa),M=I.getSpaceGroupOperationCode(Z),null!=M&&(U=M.charAt(0),I=h.getSymmetryFromCode(M),0==I.getSpaceGroupOperationCount()&&this.finalizeSymmetry(I)));this.acr.fixFloatPt(fa,1E5);var X=JU.P3.newP(fa);I.toCartesian(X,!1);if(this.doPackUnitCell&&(I.toUnitCellRnd(X,this.ptOffset),fa.setT(X),I.toFractional(fa,!1),this.acr.fixFloatPt(fa,1E5),!this.isWithinCell(this.ndims,fa,this.minXYZ0.x,this.maxXYZ0.x,this.minXYZ0.y,
this.maxXYZ0.y,this.minXYZ0.z,this.maxXYZ0.z,this.packingRange)))continue;u&&this.setSymmetryMinMax(X);var K=null;if(aa){if(A&&(X.x<this.rminx||X.y<this.rminy||X.z<this.rminz||X.x>this.rmaxx||X.y>this.rmaxy||X.z>this.rmaxz))continue;for(var $=3.4028235E38,H=this.checkAll?this.asc.ac:O,Y=T.atomName,V=null==M?T.altLoc:U,da=P;da<H;da++)if(null==sa||sa.get(da)){var Q=g[da-this.firstAtom];if(null!=Q){Q=X.distanceSquared(Q);if(B&&Q<E){if(z){e.set(Z);continue a}K=this.asc.atoms[da];if((null==K.atomName||
K.atomName.equals(Y))&&K.altLoc==V)break;K=null}q&&(da<d&&Q<$)&&($=Q)}}if(q&&$>p)continue}z&&(aa=!1);da=T.atomSite;if(null!=K)s&&(j[da]=K.index),K.bsSymmetry.set(S),K.bsSymmetry.set(L);else{s&&(j[da]=this.asc.ac);K=T.copyTo(fa,this.asc);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(K.index);0!=N&&null!=K.vib&&(I.getSpaceGroupOperation(Z).rotateSpin(K.vib),K.vib.scale(N));if(0>K.part){var ca=Integer.$valueOf(1E3*Z+500+K.part);null==this.disorderMap&&(this.disorderMap=new java.util.Hashtable);$=this.disorderMap.get(ca);
null==$&&(H=Integer.$valueOf(K.part),Y=null==this.disorderMap.get(H),0==this.disorderMapMax||122==this.disorderMapMax?this.disorderMapMax=64:90==this.disorderMapMax&&(this.disorderMapMax=96),$=new Character(Y?K.altLoc:String.fromCharCode(++this.disorderMapMax)),this.disorderMap.put(ca,$),Y&&this.disorderMap.put(H,$));K.altLoc=$.charValue()}K.atomSite=da;null!=M&&(K.altLoc=U);K.bsSymmetry=JU.BSUtil.newAndSetBit(S);K.bsSymmetry.set(L);x&&(g[r++]=X);T=T.tensors;if(null!=T){K.tensors=null;for(da=T.size();0<=
--da;)X=T.get(da),null!=X&&(1==t?K.addTensor(X.copyTensor(),null,!1):this.addRotatedTensor(K,X,Z,!1,I))}}}}if(s){O=this.asc.bonds;N=this.asc.atoms;for(aa=this.asc.bondIndex0;aa<this.bondCount0;aa++)if(L=O[aa],K=N[L.atomIndex1],R=N[L.atomIndex2],!(null==K||null==R||R.atomSetIndex<K.atomSetIndex))if(S=j[K.atomSite],T=j[R.atomSite],S>T&&(R=S,S=T,T=R),S!=T&&(S>=F||T>=F)&&0>this.bondsFound.indexOf(ca="-"+S+","+T))this.bondsFound.append(ca),this.asc.addNewBondWithOrder(S,T,L.order)}}return r},"~N,~N,~N,~N,~N,~N,~A,J.adapter.smarter.MSInterface,JU.BS,~A");
e(c,"setPartProperty",function(){for(var a=this.asc.atomSetCount;0<=--a;){for(var b=F(this.asc.getAtomSetAtomCount(a),0),f=0,d=this.asc.getAtomSetAtomIndex(a),r=b.length;f<r;f++){var c=this.asc.atoms[d++];b[f]=c.part}this.asc.setAtomProperties("part",b,a,!1)}});e(c,"trimToUnitCell",function(a){var b=this.asc.atoms,f=this.updateBSAtoms();if(this.acr.noPack)for(a=f.nextSetBit(a);0<=a;a=f.nextSetBit(a+1))this.removePacking(this.ndims,b[a],this.minXYZ.x,this.maxXYZ.x,this.minXYZ.y,this.maxXYZ.y,this.minXYZ.z,
this.maxXYZ.z,this.packingRange)||f.clear(a);else for(a=f.nextSetBit(a);0<=a;a=f.nextSetBit(a+1))this.isWithinCell(this.ndims,b[a],this.minXYZ.x,this.maxXYZ.x,this.minXYZ.y,this.maxXYZ.y,this.minXYZ.z,this.maxXYZ.z,this.packingRange)||f.clear(a)},"~N");e(c,"updateBSAtoms",function(){var a=this.asc.bsAtoms;null==a&&(a=this.asc.bsAtoms=JU.BSUtil.newBitSet2(0,this.asc.ac));0>a.nextSetBit(this.firstAtom)&&a.setBits(this.firstAtom,this.asc.ac);return a});e(c,"updateSupercellAtomSites",function(a,b,f){for(var d=
b.cardinality(),d=Array(d),r=0,c=f*f,g=b.nextSetBit(0);0<=g;g=b.nextSetBit(g+1)){var h=this.asc.atoms[g],e=new J.adapter.smarter.Atom;e.setT(h);null!=a&&(a.rotTrans(e),JU.SimpleUnitCell.unitizeDimRnd(3,e,f));e.atomSerial=h.atomSite;e.atomSite=h.atomSite;this.symmetry.unitize(e);for(var j=!1,m=0;m<r;m++){var s=d[m];if(e.atomSerial==s.atomSerial&&e.distanceSquared(s)<c){j=!0;h.atomSite=s.atomSite;break}}j||(h.atomSite=e.atomSite=r,d[r++]=e)}},"JU.M4,JU.BS,~N");e(c,"newFileSymmetry",function(){return new J.adapter.smarter.XtalSymmetry.FileSymmetry});
e(c,"scaleFractionalVibs",function(){this.getBaseSymmetry().magneticMomentsToFractional(this.asc,this.acr.unitCellParams)});e(c,"setSpinVectors",function(){return 0>this.asc.iSet||!this.acr.vibsFractional?0:this.getBaseSymmetry().setSpinVectors(this.asc)});c=O(function(){this.magneticScaling=this.uvwMap=this.spinFrame=this.spinFramePp=null;this.nVib=0;P(this,arguments)},J.adapter.smarter.XtalSymmetry,"FileSymmetry",JS.Symmetry);V(c,function(){Ea(this,J.adapter.smarter.XtalSymmetry.FileSymmetry,[])});
e(c,"addMagLatticeVectors",function(a){return this.spaceGroup.addMagLatticeVectors(a)},"JU.Lst");e(c,"addSpinLattice",function(a){return this.spaceGroup.addSpinLattice(a)},"JU.Lst");e(c,"checkDistance",function(a,b,f,d,r,c,g,h){return this.unitCell.checkDistance(a,b,f,d,r,c,g,h)},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");e(c,"createSpaceGroup",function(a,b,f,d){this.spaceGroup=JS.SpaceGroup.createSpaceGroup(a,b,f,d);null!=this.spaceGroup&&JU.Logger.debugging&&JU.Logger.debug("using generated space group "+
this.spaceGroup.dumpInfo());return null!=this.spaceGroup},"~N,~S,~O,~N");e(c,"fcoord",function(a){return JS.SymmetryOperation.fcoord(a," ")},"JU.T3");e(c,"getRotTransArrayAndXYZ",function(a,b){JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,b,!1,!0,!1,null)},"~S,~A");e(c,"getSpaceGroupOperationCode",function(a){return this.spaceGroup.symmetryOperations[a].subsystemCode},"~N");e(c,"getTensor",function(a,b){if(null==b)return null;null==this.unitCell&&(this.unitCell=JS.UnitCell.fromParams(F(-1,[1,
1,1,90,90,90]),!0,1E-4));return this.unitCell.getTensor(a,b)},"JV.Viewer,~A");e(c,"getSpaceGroupTitle",function(){var a=this.getSpaceGroupName();return a.startsWith("cell=")?a:null!=this.spaceGroup?this.spaceGroup.asString():null!=this.unitCell&&0<this.unitCell.name.length?"cell="+this.unitCell.name:""});e(c,"setPrecision",function(a){this.unitCell.setPrecision(a)},"~N");e(c,"toFractionalM",function(a){this.$isBio||this.unitCell.toFractionalM(a)},"JU.M4");e(c,"toUnitCellRnd",function(a,b){this.unitCell.toUnitCellRnd(a,
b)},"JU.T3,JU.T3");e(c,"twelfthify",function(a){this.unitCell.twelfthify(a)},"JU.P3");e(c,"getConventionalUnitCell",function(a,b){return null==this.unitCell||null==a?null:this.unitCell.getConventionalUnitCell(a,b)},"~S,JU.M3");e(c,"getSpaceGroupIndex",function(){return this.spaceGroup.getIndex()});e(c,"getUnitCellF2C",function(){return this.unitCell.getF2C()});e(c,"addInversion",function(){var a=this.spaceGroup.symmetryOperations,b=new JU.M4;b.m00=b.m11=b.m22=-1;b.m33=1;for(var f=this.getSpaceGroupOperationCount(),
d=new JU.M4,r=0;r<f;r++){d.mul2(b,a[r]);var c=JS.SymmetryOperation.getXYZFromMatrix(d,!0,!0,!1);this.addSpaceGroupOperation(c,0)}});e(c,"rotateAxes",function(a,b,f,d){return 0==a?b:this.spaceGroup.symmetryOperations[a].rotateAxes(b,this.unitCell,f,d)},"~N,~A,JU.P3,JU.M3");e(c,"transformUVW",function(a,b){if(null==b)return a;this.spinFrame=b;null==this.spinFramePp&&(System.out.println("XtalSymmetry.transformUVW using frame "+b),this.spinFramePp=this.convertTransform(b,null),this.uvwMap=new java.util.HashSet);
this.uvwMap.contains(a)||this.uvwMap.add(a);return a},"~S,~S");e(c,"magneticMomentsToFractional",function(a,b){var f=b[0],d=b[1],r=b[2];null!=this.spinFramePp&&(this.setUnitCellFromParams(b,!1,NaN),r=this.getV0abc(this.spinFrame,null),f=r[1].length(),d=r[2].length(),r=r[3].length());this.magneticScaling=JU.P3.new3(1/f,1/d,1/r);f=a.getAtomSetAtomIndex(a.iSet);for(d=a.ac;--d>=f;)r=a.atoms[d].vib,null!=r&&r.scaleT(this.magneticScaling)},"J.adapter.smarter.AtomSetCollection,~A");e(c,"setSpinVectors",
function(a){if(0<this.nVib)return this.nVib;for(var b=a.getAtomSetAtomIndex(a.iSet),f=a.ac;--f>=b;){var d=a.atoms[f].vib;null!=d&&(0<d.modDim?d.setMoment():(d=d.clone(),null!=this.spinFramePp&&this.spinFramePp.rotate(d),this.toCartesian(d,!0),a.atoms[f].vib=d),this.nVib++)}return this.nVib},"J.adapter.smarter.AtomSetCollection")});ca("JS");ja(["J.api.SymmetryInterface"],"JS.Symmetry","java.util.Hashtable $.Stack JU.AU $.BS $.JSJSONParser $.Lst $.M4 $.P3 $.PT $.Rdr $.SB J.api.Interface J.bspt.Bspt JS.PointGroup $.SpaceGroup $.SymmetryInfo $.SymmetryOperation $.UnitCell JU.BSUtil $.Escape $.Logger $.SimpleUnitCell JV.FileManager".split(" "),
function(){var c=O(function(){this.unitCell=this.spaceGroup=null;this.$isBio=!1;this.vwr=this.transformMatrix=this.desc=this.symmetryInfo=this.cip=this.pointGroup=null;P(this,arguments)},JS,"Symmetry",null,J.api.SymmetryInterface);n(c,"getSymopList",function(a){for(var b=this.spaceGroup.operationCount,f=Array(b),d=0;d<b;d++)f[d]=""+this.getSpaceGroupXyz(d,a);return f},"~B");n(c,"isBio",function(){return this.$isBio});n(c,"setPointGroup",function(a,b,f,d,r,c,g,h,e,j){this.pointGroup=JS.PointGroup.getPointGroup(null==
b?null:b.pointGroup,f,d,r,c,g,h,e,j,a.getBoolean(603979956),a.getScalePixelsPerAngstrom(!1));return this},"JV.Viewer,J.api.SymmetryInterface,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B");n(c,"getPointGroupName",function(){return this.pointGroup.getName()});n(c,"getPointGroupInfo",function(a,b,f,d,r,c){return null==b&&!f&&null!=this.pointGroup.textInfo?this.pointGroup.textInfo:null==b&&this.pointGroup.isDrawType(d,r,c)?this.pointGroup.drawInfo:f&&null!=this.pointGroup.info?this.pointGroup.info:this.pointGroup.getInfo(a,
b,f,d,r,c)},"~N,~S,~B,~S,~N,~N");n(c,"setSpaceGroup",function(a){this.symmetryInfo=null;null==this.spaceGroup&&(this.spaceGroup=JS.SpaceGroup.getNull(!0,a,!1))},"~B");n(c,"addSpaceGroupOperation",function(a,b){return this.spaceGroup.addSymmetry(a,b,!1)},"~S,~N");n(c,"addBioMoleculeOperation",function(a,b){this.$isBio=this.spaceGroup.isBio=!0;return this.spaceGroup.addSymmetry((b?"!":"")+"[[bio"+a,0,!1)},"JU.M4,~B");n(c,"setLattice",function(a){this.spaceGroup.setLatticeParam(a)},"~N");n(c,"getSpaceGroup",
function(){return this.spaceGroup});n(c,"getSpaceGroupInfoObj",function(a,b,f,d){var r=!1;switch(a){case "list":return this.getSpaceGroupList(b);case "opsCtr":return this.spaceGroup.getOpsCtr(b);case "itaTransform":case "itaNumber":r=!0;case "nameToXYZList":case "itaIndex":case "hmName":case "hmNameShort":f=null;if(null!=b){if(b.endsWith("'"))return b=JS.SpaceGroup.convertWyckoffHMCleg(b,null),r&&null!=b?(f=b.indexOf(":"),"itaNumber".equals(a)?b.substring(0,f):b.substring(f+1)):null;if(1<b.length&&
"/"==b.charAt(1)){f=JS.SpaceGroup.getExplicitSpecialGroupType(b);f=JS.Symmetry.getSpecialSettingInfo(this.vwr,b,f);if(null!=f)switch(a){case "itaData":return f;case "hmName":case "hmNameShort":return f.get("hm");case "nameToXYZList":return f.get("gp");case "itaIndex":return""+f.get("sg")+"."+f.get("set");case "itaTransform":return f.get("trm");case "itaNumber":return""+f.get("sg")}return null}b.startsWith("ITA/")&&(b=b.substring(4));f=JS.SpaceGroup.determineSpaceGroupN(b);null==f&&"nameToXYZList".equals(a)&&
(f=JS.SpaceGroup.createSpaceGroupN(b,!0))}else null!=this.spaceGroup?f=this.spaceGroup:null!=this.symmetryInfo&&(f=this.symmetryInfo.getDerivedSpaceGroup());switch(null==f?"":a){case "hmName":return f.getHMName();case "hmNameShort":return f.getHMNameShort();case "nameToXYZList":a=new JU.Lst;f.setFinalOperationsSafely();r=0;for(b=f.getOperationCount();r<b;r++)a.addLast(f.getOperation(r).xyz);return a;case "itaIndex":return f.getItaIndex();case "itaTransform":return f.itaTransform;case "itaNumber":return f.itaNumber}return null;
default:return JS.SpaceGroup.getInfo(this.spaceGroup,a,b,f,d)}},"~S,~O,~B,~B");e(c,"getSpaceGroupList",function(a){for(var b=new JU.SB,f=this.getSpaceGroupJSON("ITA","ALL",0),d=0,r=f.size();d<r;d++){var c=f.get(d),g=c.get("sg");(null==a||g.equals(a))&&b.appendO(g).appendC(".").appendO(c.get("set")).appendC("\t").appendO(c.get("hm")).appendC("\t").appendO(c.get("sg")).appendC(":").appendO(c.get("trm")).appendC("\n")}return b.toString()},"Integer");n(c,"getLatticeDesignation",function(){return this.spaceGroup.getShelxLATTDesignation()});
n(c,"setFinalOperations",function(a,b,f,d,r,c,g){null!=b&&(b.startsWith("bio")||0<=b.indexOf(" *("))&&this.spaceGroup.setName(b);var h="unspecified!".equals(b);h&&(g="calculated");if(null!=g){var e=new JU.Lst;e.addLast(this.spaceGroup.symmetryOperations[0]);for(var j=1;j<this.spaceGroup.operationCount;j++)(h||g.contains(" "+(j+1)+" "))&&e.addLast(this.spaceGroup.symmetryOperations[j]);this.spaceGroup=JS.SpaceGroup.createSpaceGroup(-1,b+" *("+g.trim()+")",e,-1)}this.spaceGroup.setFinalOperationsForAtoms(a,
f,d,r,c)},"~N,~S,~A,~N,~N,~B,~S");n(c,"getSpaceGroupOperation",function(a){return null==this.spaceGroup||null==this.spaceGroup.symmetryOperations||a>=this.spaceGroup.symmetryOperations.length?null:null==this.spaceGroup.finalOperations?this.spaceGroup.symmetryOperations[a]:this.spaceGroup.finalOperations[a]},"~N");n(c,"getSpaceGroupXyz",function(a,b){return this.spaceGroup.getXyz(a,b)},"~N,~B");n(c,"newSpaceGroupPoint",function(a,b,f,d,r,c,g){null==f&&null==this.spaceGroup.finalOperations&&(f=this.spaceGroup.symmetryOperations[b],
f.isFinalized||f.doFinalize());JS.SymmetryOperation.rotateAndTranslatePoint(null==f?this.spaceGroup.finalOperations[b]:f,a,d,r,c,g)},"JU.P3,~N,JU.M4,~N,~N,~N,JU.P3");n(c,"getSpinOp",function(a){return this.spaceGroup.symmetryOperations[a].getMagneticOp()},"~N");n(c,"getLatticeOp",function(){return this.spaceGroup.latticeOp});n(c,"getLatticeCentering",function(){return JS.SymmetryOperation.getLatticeCentering(this.getSymmetryOperations())});n(c,"getOperationRsVs",function(a){return(null==this.spaceGroup.finalOperations?
this.spaceGroup.symmetryOperations:this.spaceGroup.finalOperations)[a].rsvs},"~N");n(c,"getSiteMultiplicity",function(a){return this.spaceGroup.getSiteMultiplicity(a,this.unitCell)},"JU.P3");n(c,"getSpaceGroupName",function(){return null!=this.spaceGroup?this.spaceGroup.getName():null!=this.symmetryInfo?this.symmetryInfo.sgName:null!=this.unitCell&&0<this.unitCell.name.length?"cell="+this.unitCell.name:""});n(c,"geCIFWriterValue",function(a){return null==this.spaceGroup?null:this.spaceGroup.getCIFWriterValue(a,
this)},"~S");n(c,"getLatticeType",function(){return null!=this.symmetryInfo?this.symmetryInfo.latticeType:null==this.spaceGroup?"P":this.spaceGroup.latticeType});n(c,"getIntTableNumber",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableNo:null==this.spaceGroup?null:this.spaceGroup.itaNumber});n(c,"getIntTableIndex",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableIndexNdotM:null==this.spaceGroup?null:this.spaceGroup.getItaIndex()});n(c,"getIntTableTransform",
function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableTransform:null==this.spaceGroup?null:this.spaceGroup.itaTransform});n(c,"getSpaceGroupClegId",function(){return null!=this.symmetryInfo?this.symmetryInfo.getClegId():this.spaceGroup.getClegId()});n(c,"getSpaceGroupJmolId",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableJmolId:null==this.spaceGroup?null:this.spaceGroup.jmolId});n(c,"getCoordinatesAreFractional",function(){return null==this.symmetryInfo||this.symmetryInfo.coordinatesAreFractional});
n(c,"getCellRange",function(){return null==this.symmetryInfo?null:this.symmetryInfo.cellRange});n(c,"getSymmetryInfoStr",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.infoStr;if(null==this.spaceGroup)return"";(this.symmetryInfo=new JS.SymmetryInfo).setSymmetryInfoFromModelkit(this.spaceGroup);return this.symmetryInfo.infoStr});n(c,"getSpaceGroupOperationCount",function(){return null!=this.symmetryInfo&&null!=this.symmetryInfo.symmetryOperations?this.symmetryInfo.symmetryOperations.length:
null!=this.spaceGroup?null!=this.spaceGroup.finalOperations?this.spaceGroup.finalOperations.length:this.spaceGroup.operationCount:0});n(c,"getSymmetryOperations",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.symmetryOperations;null==this.spaceGroup&&(this.spaceGroup=JS.SpaceGroup.getNull(!0,!1,!0));this.spaceGroup.setFinalOperationsSafely();return this.spaceGroup.finalOperations});n(c,"getAdditionalOperationsCount",function(){return null!=this.symmetryInfo&&null!=this.symmetryInfo.symmetryOperations&&
null!=this.symmetryInfo.getAdditionalOperations()?this.symmetryInfo.additionalOperations.length:null!=this.spaceGroup&&null!=this.spaceGroup.finalOperations?this.spaceGroup.getAdditionalOperationsCount():0});n(c,"getAdditionalOperations",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.getAdditionalOperations();this.getSymmetryOperations();return this.spaceGroup.getAdditionalOperations()});n(c,"isSimple",function(){return null==this.spaceGroup&&(null==this.symmetryInfo||null==this.symmetryInfo.symmetryOperations)});
n(c,"haveUnitCell",function(){return null!=this.unitCell});n(c,"setUnitCellFromParams",function(a,b,f){null==a&&(a=F(-1,[1,1,1,90,90,90]));this.unitCell=JS.UnitCell.fromParams(a,b,f);return this},"~A,~B,~N");n(c,"unitCellEquals",function(a){return a.unitCell.isSameAs(this.unitCell.getF2C())},"J.api.SymmetryInterface");n(c,"isSymmetryCell",function(a){a=a.unitCell;var b=!a.isStandard()?null:null!=this.symmetryInfo?this.symmetryInfo.spaceGroupF2C:this.unitCell.getF2C();a=a.isSameAs(b);null!=this.symmetryInfo&&
this.symmetryInfo.setIsCurrentCell(a)&&this.setUnitCellFromParams(this.symmetryInfo.spaceGroupF2CParams,!1,NaN);return a},"J.api.SymmetryInterface");n(c,"getUnitCellState",function(){return null==this.unitCell?"":this.unitCell.getState()});n(c,"getMoreInfo",function(){return this.unitCell.moreInfo});n(c,"initializeOrientation",function(a){this.unitCell.initOrientation(a)},"JU.M3");n(c,"unitize",function(a){this.unitCell.unitize(a)},"JU.T3");n(c,"toUnitCell",function(a,b){this.unitCell.toUnitCell(a,
b)},"JU.T3,JU.T3");n(c,"toSupercell",function(a){return this.unitCell.toSupercell(a)},"JU.P3");n(c,"toFractional",function(a,b){this.$isBio||this.unitCell.toFractional(a,b)},"JU.T3,~B");n(c,"toCartesian",function(a,b){this.$isBio||this.unitCell.toCartesian(a,b)},"JU.T3,~B");n(c,"getUnitCellParams",function(){return this.unitCell.getUnitCellParams()});n(c,"getUnitCellAsArray",function(a){return this.unitCell.getUnitCellAsArray(a)},"~B");n(c,"getUnitCellVerticesNoOffset",function(){return this.unitCell.getVertices()});
n(c,"getCartesianOffset",function(){return this.unitCell.getCartesianOffset()});n(c,"getFractionalOffset",function(a){var b=this.unitCell.getFractionalOffset();return a&&null!=b&&b.x==x(b.x)&&b.y==x(b.y)&&b.z==x(b.z)?null:b},"~B");n(c,"setOffsetPt",function(a){this.unitCell.setOffset(a)},"JU.T3");n(c,"setOffset",function(a){var b=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(a,b,0,0);this.unitCell.setOffset(b)},"~N");n(c,"getUnitCellMultiplier",function(){return this.unitCell.getUnitCellMultiplier()});
n(c,"getUnitCellMultiplied",function(){var a=this.unitCell.getUnitCellMultiplied();if(a===this.unitCell)return this;var b=(new JS.Symmetry).setViewer(this.vwr);b.unitCell=a;return b});n(c,"getCanonicalCopy",function(a,b){return this.unitCell.getCanonicalCopy(a,b)},"~N,~B");n(c,"getUnitCellInfoType",function(a){return this.unitCell.getInfo(a)},"~N");n(c,"getUnitCellInfo",function(a){return null==this.unitCell?null:this.unitCell.dumpInfo(!1,a)},"~B");n(c,"isSlab",function(){return this.unitCell.isSlab()});
n(c,"isPolymer",function(){return this.unitCell.isPolymer()});e(c,"getUnitCellVectors",function(){return this.unitCell.getUnitCellVectors()});n(c,"getUnitCell",function(a,b,f){if(null==a)return null;this.unitCell=JS.UnitCell.fromOABC(a,b);null!=f&&(this.unitCell.name=f);return this},"~A,~B,~S");n(c,"isSupercell",function(){return this.unitCell.isSupercell()});n(c,"notInCentroid",function(a,b,f){try{var d=new JU.BS,r=b.nextSetBit(0),c=a.getMolecules(),g=c.length,h=a.at,e=c[g-1].firstAtomIndex==a.am[h[r].mi].firstAtomIndex,
j=new JU.P3,m=f[6]/100;a=0!=m;a:for(;0<=--g&&b.get(c[g].firstAtomIndex);){var s=c[g].atomList;j.set(0,0,0);for(var r=0,p=s.nextSetBit(0);0<=p;p=s.nextSetBit(p+1))if(e||a)if(j.setT(h[p]),this.isNotCentroid(j,1,f,m))e&&d.set(p);else{if(!e)continue a}else j.add(h[p]),r++;(a||0<r&&this.isNotCentroid(j,r,f,0))&&d.or(s)}return d}catch(v){if(Q(v,Exception))return null;throw v;}},"JM.ModelSet,JU.BS,~A");e(c,"isNotCentroid",function(a,b,f,d){a.scale(1/b);this.toFractional(a,!1);return 0!=d?(b=0<=d?d:5E-6,
a.x+b<=f[0]||a.x-b>f[3]||a.y+b<=f[1]||a.y-b>f[4]||a.z+b<=f[2]||a.z-b>f[5]):a.x+5E-6<=f[0]||a.x+5E-5>f[3]||a.y+5E-6<=f[1]||a.y+5E-5>f[4]||a.z+5E-6<=f[2]||a.z+5E-5>f[5]},"JU.P3,~N,~A,~N");e(c,"getDesc",function(a){return null==a?null==JS.Symmetry.nullDesc?JS.Symmetry.nullDesc=J.api.Interface.getInterface("JS.SymmetryDesc",null,"modelkit"):JS.Symmetry.nullDesc:(null==this.desc?this.desc=J.api.Interface.getInterface("JS.SymmetryDesc",a.vwr,"eval"):this.desc).set(a)},"JM.ModelSet");n(c,"getSymmetryInfoAtom",
function(a,b,f,d,r,c,g,h,e,j,m,s,p){return this.getDesc(a).getSymopInfo(b,f,d,r,c,g,h,e,j,m,s,p)},"JM.ModelSet,~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");n(c,"getSpaceGroupInfo",function(a,b,f,d,r){var c=null==b;if(null==b){0>f&&(f=a.vwr.am.cmi);var g=a.getModelAuxiliaryInfo(f);null!=g&&(b=g.get("spaceGroup"))}g=null;null!=r&&(g=(new JS.Symmetry).setViewer(this.vwr).setUnitCellFromParams(r,!1,NaN));return this.getDesc(a).getSpaceGroupInfo(this,f,b,0,null,null,null,0,-1,d,c,0,g,null)},"JM.ModelSet,~S,~N,~B,~A");
n(c,"getV0abc",function(a,b){var f=null,f=a&&a[0]?a[0]:null;return(null!=f?Y(f,"JU.T3"):Y(a,Array))?a:JS.UnitCell.getMatrixAndUnitCell(this.unitCell,a,b)},"~O,JU.M4");n(c,"getQuaternionRotation",function(a){return null==this.unitCell?null:this.unitCell.getQuaternionRotation(a)},"~S");n(c,"getFractionalOrigin",function(){return this.unitCell.getFractionalOrigin()});n(c,"getState",function(a,b,f){var d=null!=a.getInfo(b,"spaceGroupAssigned"),r=this.getFractionalOffset(!1),c=!1;if(null!=r&&(0!=r.x||
0!=r.y||0!=r.z))f.append("; set unitcell ").append(JU.Escape.eP(r)),c=!0;r=this.getUnitCellMultiplier();null!=r&&(f.append("; set unitcell ").append(JU.SimpleUnitCell.escapeMultiplier(r)),c=!0);r=a.getInfo(b,"spaceGroup");d&&null!=r&&(d=r.indexOf("#"),0<=d&&(r=r.substring(d+1)),a="\n UNITCELL "+JU.Escape.e(a.getUnitCell(b).getUnitCellVectors()),f.append(a),f.append("\n MODELKIT SPACEGROUP "+JU.PT.esc(r)),f.append(a),c=!0);return c},"JM.ModelSet,~N,JU.SB");n(c,"getIterator",function(a,b,f,d){return J.api.Interface.getInterface("JS.UnitCellIterator",
a,"script").set(this,b,a.ms.at,f,d)},"JV.Viewer,JM.Atom,JU.BS,~N");n(c,"toFromPrimitive",function(a,b,f,d){null==this.unitCell&&(this.unitCell=JS.UnitCell.fromOABC(f,!1));return this.unitCell.toFromPrimitive(a,b,f,d)},"~B,~S,~A,JU.M3");n(c,"generateCrystalClass",function(a){if(null==this.symmetryInfo||!this.symmetryInfo.isCurrentCell)return null;var b=this.getSymmetryOperations(),f=new JU.Lst,d=null==a,r=0,c=0,g=0;d?(r=2.718281828459045,c=3.141592653589793,g=Math.log10(2E3),a=JU.P3.new3(r+1,c+2,g+
3)):a=JU.P3.newP(a);if(null==b||null==this.unitCell)f.addLast(a);else{this.unitCell.toFractional(a,!0);var h=null,e=null;d&&(h=JU.P3.new3(c+4,g+5,r+6),this.unitCell.toFractional(h,!0),e=JU.P3.new3(g+7,r+8,c+9),this.unitCell.toFractional(e,!0));var c=new J.bspt.Bspt(3,0),g=c.allocateCubeIterator(),r=new JU.P3,j=b.length;a:for(;0<=--j;){b[j].rotate2(a,r);g.initialize(r,0.001,!1);if(g.hasMoreElements())continue a;var m=JU.P3.newP(r);f.addLast(m);c.addTuple(m);d&&(null!=e&&(b[j].rotate2(e,r),f.addLast(JU.P3.newP(r))),
null!=h&&(b[j].rotate2(h,r),f.addLast(JU.P3.newP(r))))}for(b=f.size();0<=--b;)r=f.get(b),d&&r.scale(0.5),this.unitCell.toCartesian(r,!0)}return f},"JU.P3");n(c,"calculateCIPChiralityForAtoms",function(a,b){a.setCursor(3);var f=this.getCIPChirality(a),d=a.getBoolean(603979960)?"CIPData":"CIPDataTracker",d=J.api.Interface.getInterface("JS."+d,a,"script").set(a,b);d.setRule6Full(a.getBoolean(603979823));f.getChiralityForAtoms(d);a.setCursor(0)},"JV.Viewer,JU.BS");n(c,"calculateCIPChiralityForSmiles",
function(a,b){a.setCursor(3);var f=this.getCIPChirality(a),d=J.api.Interface.getInterface("JS.CIPDataSmiles",a,"script").setAtomsForSmiles(a,b);f.getChiralityForAtoms(d);a.setCursor(0);return d.getSmilesChiralityArray()},"JV.Viewer,~S");e(c,"getCIPChirality",function(a){return null==this.cip?this.cip=J.api.Interface.getInterface("JS.CIPChirality",a,"script"):this.cip},"JV.Viewer");n(c,"getUnitCellInfoMap",function(){return null==this.unitCell?null:this.unitCell.getInfo()});n(c,"setUnitCell",function(a){this.unitCell=
JS.UnitCell.cloneUnitCell(a.unitCell)},"J.api.SymmetryInterface");n(c,"findSpaceGroup",function(a,b,f,d,r,c,g){return J.api.Interface.getInterface("JS.SpaceGroupFinder",a,"eval").findSpaceGroup(a,b,f,d,r,c,this,g)},"JV.Viewer,JU.BS,~S,~A,JU.T3,~A,~N");n(c,"setSpaceGroupName",function(a){this.symmetryInfo=null;null!=this.spaceGroup&&this.spaceGroup.setName(a)},"~S");n(c,"setSpaceGroupTo",function(a){this.symmetryInfo=null;this.spaceGroup=Y(a,"JS.SpaceGroup")?a:JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(this.vwr,
a.toString())},"~O");n(c,"removeDuplicates",function(a,b,f){var d=this.unitCell,r=a.at;a=a.occupancies;for(var c=null!=a,g=Array(b.length()),h=b.nextSetBit(0);0<=h;h=b.nextSetBit(h+1)){var e=g[h]=JU.P3.newP(r[h]);d.toFractional(e,!1);f?d.unitizeRnd(e):d.unitize(e)}for(h=b.nextSetBit(0);0<=h;h=b.nextSetBit(h+1)){f=r[h];e=g[h];f=f.getAtomicAndIsotopeNumber();for(var d=c?a[h]:0,j=b.nextSetBit(h+1);0<=j;j=b.nextSetBit(j+1))f!=r[j].getAtomicAndIsotopeNumber()||c&&d!=a[j]||1.96E-6>e.distanceSquared(g[j])&&
b.clear(j)}return b},"JM.ModelSet,JU.BS,~B");n(c,"getEquivPoints",function(a,b,f){var d=this.getSymmetryOperations();return null==d||null==this.unitCell?null:this.unitCell.getEquivPoints(b,f,d,null==a?new JU.Lst:a,0,0,0,this.getPeriodicity())},"JU.Lst,JU.P3,~S");n(c,"getPeriodicity",function(){return null==this.spaceGroup?7:this.spaceGroup.periodicity});n(c,"getDimensionality",function(){return null==this.spaceGroup?3:this.spaceGroup.nDim});n(c,"getEquivPointList",function(a,b,f,d){var r=null==d?
this.getSymmetryOperations():d,c=0<=f.indexOf("newpt"),g=0<=f.indexOf("zapped"),h=a.size(),e=0<=f.indexOf("tofractional");if(0>f.indexOf("fromfractional"))for(var j=0;j<a.size();j++)this.toFractional(a.get(j),!1);f+=",fromfractional,tofractional";var m=0<b?0:h,s=b==h,p=0<b?b:h;s&&(b--,p--);g&&(p=0);var v=0<b?a.get(b):null;d=null==d?p:m;if(null!=r||null!=this.unitCell)for(var q=this.getPeriodicity(),j=b;j<h;j++)this.unitCell.getEquivPoints(a.get(j),f,r,a,m,p,d,q);!g&&(a.size()==b||a.get(b)!==v||s||
c)&&h--;for(j=h-b;0<=--j;)a.removeItemAt(b);if(!e)for(j=a.size();--j>=b;)this.toCartesian(a.get(j),!1)},"JU.Lst,~N,~S,~A");n(c,"getInvariantSymops",function(a,b){var f=this.getSymmetryOperations();if(null==f)return L(0,0);for(var d=new JU.BS,r=new JU.P3,c=new JU.P3,g=f.length,h=1;h<g;h++)r.setT(a),this.unitCell.toFractional(r,!1),this.unitCell.unitize(r),c.setT(r),f[h].rotTrans(r),this.unitCell.unitize(r),1.96E-6>c.distanceSquared(r)&&d.set(h);f=L(d.cardinality(),0);if(null!=b&&f.length!=b.length)return null;
r=0;for(h=1;h<g;h++)if(d.get(h)){if(null!=b&&b[r]!=h+1)return null;f[r++]=h+1}return f},"JU.P3,~A");n(c,"getWyckoffPosition",function(a,b,f){if(null==this.unitCell)return"";var d=this.spaceGroup;null==d&&null!=this.symmetryInfo&&(d=JS.SpaceGroup.determineSpaceGroupN(this.symmetryInfo.sgName),null==d&&(d=this.getSpaceGroupJmolId(),null==d&&(d=this.getSpaceGroupClegId()),d=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(a,d)));if(null==d||null==d.itaNumber)return"?";null==b?b=JU.P3.new3(0.53,0.2,0.16):
"L".equals(f)||(b=JU.P3.newP(b),this.unitCell.toFractional(b,!1),this.unitCell.unitize(b));try{var r=this.getWyckoffFinder().getWyckoffFinder(a,d),c=null!=f&&"M"==f.charAt(0);c&&(f=1==f.length?null:f.substring(1));var g=null==f?-1:"L".equals(f)?-4:f.equalsIgnoreCase("coord")?-2:f.equalsIgnoreCase("coords")?-3:f.endsWith("*")?f.charAt(0).charCodeAt(0):0;if(0!=g)return null==r?"?":r.getInfo(this.unitCell,b,g,c,a.is2D());if(null==r.findPositionFor(b,f))return null;this.unitCell.toCartesian(b,!1);return b}catch(h){if(Q(h,
Exception))return h.printStackTrace(),null==f?"?":null;throw h;}},"JV.Viewer,JU.P3,~S");e(c,"getWyckoffFinder",function(){null==JS.Symmetry.wyckoffFinder&&(JS.Symmetry.wyckoffFinder=J.api.Interface.getInterface("JS.WyckoffFinder",null,"symmetry"));return JS.Symmetry.wyckoffFinder});n(c,"getTransform",function(a,b,f){return this.getDesc(null).getTransform(this.unitCell,this.getSymmetryOperations(),a,b,f)},"JU.P3,JU.P3,~B");n(c,"isWithinUnitCell",function(a,b,f,d){return this.unitCell.isWithinUnitCell(b,
f,d,a)},"JU.P3,~N,~N,~N");n(c,"checkPeriodic",function(a){return this.unitCell.checkPeriodic(a)},"JU.P3");n(c,"staticConvertOperation",function(a,b,f){return JS.SymmetryOperation.staticConvertOperation(a,b,f)},"~S,JU.M4,~S");n(c,"getSubgroupJSON",function(a,b,f,d,r,c,g){a.startsWith("ITA/")&&(a=a.substring(4));null!=b&&b.startsWith("ITA/")&&(b=b.substring(4));var h=JS.SpaceGroup.getExplicitSpecialGroupType(a);if(-1==h||(null==b||0==b.length?h:JS.SpaceGroup.getExplicitSpecialGroupType(a))!=h)return null;
var e=0==h?a:a.substring(2);if(e.equalsIgnoreCase("all"))return this.getAllITSubData(h);e=JU.PT.parseInt(this.getSpaceGroupInfoObj("itaNumber",e,!1,!1));b=null==b?-1:0==b.length?0:JU.PT.parseInt(this.getSpaceGroupInfoObj("itaNumber",0==h?b:b.substring(2),!1,!1));if(0!=r){f=JS.SpaceGroup.getGroupTypePrefix(h);var j=r>>24&255,m=r>>16&255,s=r>>8&255,p=r&255,v=this.getSubgroupIndexData(h);d=null==g?null:new JU.Lst;var q=new java.util.Stack,e=this.findSubTransform(e,b,j,m,s,p,v,1,1,1,JU.BSUtil.newAndSetBit(e),
q,d);if(null==e?null==d:e.endsWith("!"))return e;b=e;p=0;for(m=null==d?1:d.size();p<m;p++){v=null==c?new java.util.Hashtable:c;null!=g&&v!==c&&g.addLast(v);null!=d&&(e=d.get(p));for(var q=e.$plit(">"),s=q.length,u=Array(s),t="",n="",pa=1,y=0,j=s-3;0<=j;j-=2){y++;var B=f+q[j],A=q[j+2]=f+q[j+2],pa=pa*Integer.parseInt(q[j+1].substring(1,q[j+1].length-1));b=q[j+1]=this.getSubgroupJSON(B,A,0,1,0,null,null);t+=">"+b;u[j]=this.getSpaceGroupInfoObj("hmNameShort",B,!1,!1);u[j+1]="";j==s-3&&(u[j+2]=this.getSpaceGroupInfoObj("hmNameShort",
A,!1,!1))}q[0]=f+q[0];for(j=0;j<s;j+=2)n+=">"+u[j];n=n.substring(1);s=this.convertTransform(t.substring(1),null);v.put("trm",this.convertTransform(null,s));v.put("trmat",s);v.put("index",Integer.$valueOf(pa));v.put("depth",Integer.$valueOf(y));v.put("indexPath",e);v.put("cleg",JU.PT.join(q,">",0));v.put("bcsPath",JU.PT.rep(n," ",""))}return b}var D=0>b,z=0==b&&0==f,x=0==b&&0>f;c=0==b&&0<f&&0>d;g=0==b&&0<f&&0<d;h=0<b&&0>f;r=0<b&&0<f&&0>d;var sa=0<b&&0<f&&0<d;try{p=this.getSpaceGroupJSON("subgroups",
a,e);for(a=0;null!=p;){if(D)return p;if(z||x){v=p.get("subgroups");m=v.size();t=z?JU.AU.newInt2(m):null;q=x?new JU.BS:null;for(j=m;0<=--j;)if(p=v.get(j),n=p.get("subgroup").intValue(),x)q.set(n);else{var B=p.get("subgroupIndex").intValue(),A="k".equals(p.get("trType"))?2:1,I=1==A?p.get("trSubtype"):"",F=p.get("det").doubleValue(),fa=C(1>F?-1/F:F);I.equals("ct")?A=3:I.equals("eu")&&(A=4);var M=p.get("trm").size();t[j]=L(-1,[n,M,B,fa,A])}if(x){pa=L(q.cardinality(),0);m=0;for(j=q.nextSetBit(0);0<=j;j=
q.nextSetBit(j+1))pa[m++]=j;return pa}return t}v=p.get("subgroups");q=0;m=v.size();if(c||g){if(f>m)throw new ArrayIndexOutOfBoundsException("no map.subgroups["+f+"]!");q=f-1;if(c)return v.get(q);m=f}y=h?new JU.Lst:null;for(j=q;j<m;j++)if(p=v.get(j),n=p.get("sg").intValue(),g||n==b){if(++a==f){if(r)return p}else if(sa)continue;if(h)y.addLast(p);else{u=p.get("trms");m=u.size();if(1>d||d>m)return null;s=u.get(d-1);return s.get("trm")}}if(h&&!y.isEmpty())return y;break}if(0==f)return null;if(sa&&0<a)throw new ArrayIndexOutOfBoundsException("only "+
a+" maximal subgroup information for "+e+">>"+b+"!");throw new ArrayIndexOutOfBoundsException("no subgroup information for "+e+">>"+b+"!");}catch(E){if(Q(E,Exception))return E.getMessage();throw E;}},"~S,~S,~N,~N,~N,java.util.Map,JU.Lst");e(c,"findSubTransform",function(a,b,f,d,c,k,g,h,e,j,m,s,p){e=g[a];if(0<c&&h>c)return null;for(var v=a==b&&1==h,q=v?2:3,u=0<h&&h<k?2:1;u<q;u++){var t=0,n=e.length;a:for(;t<n;t++){var x=e[t][0];if(!m.get(x)||v){var y=e[t][1],B=y*j;if(!(B>f))switch(u){case 1:if(x==
b){if(B<d)continue;B="";t=0;for(n=s.size();t<n;t++)var A=s.get(t),B=B+(A[0]+">["+A[1]+"]>");B+=a+">["+y+"]>"+x;if(null!=p){p.addLast(B);break a}return B}break;case 2:if(x!=b&&!m.get(x)&&(A=JU.BSUtil.copy(m),A.set(x),s.push(L(-1,[a,y])),B=this.findSubTransform(x,b,f,d,c,k,g,h+1,y,B,A,s,p),s.pop(),null!=B&&null==p))return B}}}}return null},"~N,~N,~N,~N,~N,~N,~A,~N,~N,~N,JU.BS,java.util.Stack,JU.Lst");n(c,"getSpaceGroupJSON",function(a,b,f){var d=a.equals("setting"),c=a.equals("settings"),k=a.equalsIgnoreCase("AFLOWLIB"),
g=!c&&a.equals("subgroups"),e=(d||c||g)&&-2147483648==f,l=!c&&!d&&!g?a:e?this.getSpaceGroupName():""+f;try{var j,m=null==b?0:JS.SpaceGroup.getExplicitSpecialGroupType(b);0<m&&(b=b.substring(2));var s=null,p,v,q;if(d&&null==b||c||g)if(v=!0,q=d?b:null,e){if(j=JU.PT.parseInt(this.getIntTableNumber()),d||c)if(null==this.spaceGroup){var u=this.symmetryInfo.getDerivedSpaceGroup();if(null==u)return new java.util.Hashtable;q=u.jmolId}else q=this.getSpaceGroupClegId(),d?s=q.substring(q.indexOf(":")+1):c&&
(f=0)}else j=f;else{k||(f=0);q=b;var t=q.indexOf("(");0>t&&(t=q.indexOf(":"));if(p=0<=t&&q.indexOf(",")>t)s=q.substring(t+1,q.length-(q.endsWith(")")?1:0)),q=q.substring(0,t),e=!0;j=q.equalsIgnoreCase("ALL")?0:JU.PT.parseInt(q);v=-2147483648!=j;t=q.indexOf(".");!p&&(v&&0==f&&0<t)&&(f=JU.PT.parseInt(q.substring(t+1)),q=q.substring(0,t))}if(v&&(j>JS.SpaceGroup.getMax(m)||(c||d?1>j:0>j)))throw new ArrayIndexOutOfBoundsException(j);if(g){var n=this.getITSubJSONResource(m,j);if(null!=n)return n}else if(d||
c||a.equalsIgnoreCase("ITA")){if(0==j)return JS.Symmetry.getAllITAData(this.vwr,m,!0);var x=0<m,n=JS.Symmetry.getITJSONResource(this.vwr,m,j,b);if(null!=n){if(0==f&&null==s)return c?n.get("its"):n;var y=n.get("its");if(null!=y){if(c&&!e)return y;var B=y.size(),A=d?Math.max(f,1):v&&!e?f:B;if(A>B)return null;if(d)return y.get(A-1);for(var B=null,D=A;0<=--D;){B=y.get(D);if(D==f-1||(null==s?x?JS.SpaceGroup.hmMatches(B.get("hm"),q,m):q.equals(B.get("jmolId")):s.equals(B.get("trm")))){if(!B.containsKey("more"))return B;
break}B=null}if(null!=B)return JS.SpaceGroup.fillMoreData(this.vwr,B,b,j,y.get(0))}}}else if(k&&null==s){null==JS.Symmetry.aflowStructures&&(JS.Symmetry.aflowStructures=JS.Symmetry.getResource(this.vwr,"sg/json/aflow_structures.json"));if(0==j)return JS.Symmetry.aflowStructures;if(-2147483648==j){b=null;q.endsWith("*")&&(b=new JU.Lst,q=q.substring(0,q.length-1));for(f=1;230>=f;f++){x=JS.Symmetry.aflowStructures.get(""+f);D=0;for(B=x.size();D<B;D++){var z=x.get(D);if(null!=b&&z.startsWith(q))b.addLast("=aflowlib/"+
f+"."+(D+1)+"\t"+z);else if(z.equalsIgnoreCase(q))return f+"."+(D+1)}}return null!=b&&0<b.size()?b:null}var ga=JS.Symmetry.aflowStructures.get(""+q);if(f<=ga.size())return 0==f?ga:ga.get(f-1)}if(e)return new java.util.Hashtable;throw new IllegalArgumentException(l);}catch(C){if(Q(C,Exception))return C.getMessage();throw C;}},"~S,~S,~N");c.getITJSONResource=e(c,"getITJSONResource",function(a,b,f,d){if(0==b)return null==JS.Symmetry.itaData&&(JS.Symmetry.itaData=Array(230)),b=JS.Symmetry.itaData[f-1],
null==b&&(JS.Symmetry.itaData[f-1]=b=JS.Symmetry.getResource(a,"sg/json/ita_"+f+".json")),b;a=JS.Symmetry.getAllITAData(a,b,!1);return 0<f?a[f-1]:JS.Symmetry.getSpecialSettingJSON(a,d,b,!1)},"JV.Viewer,~N,~N,~S");c.getSpecialSettingJSON=e(c,"getSpecialSettingJSON",function(a,b,f,d){var c=null,k=Character.isDigit(b.charAt(2));k&&b.endsWith(";0,0,0")&&(b=b.substring(0,b.length-6));var g=k?"clegId":"hm";k||(b=b.substring(2));for(var e=a.length;0<=--e;)for(var l=a[e].get("its"),j=l.size();0<=--j;){var c=
l.get(j),m=c.get(g);if(k?b.equals(m):JS.SpaceGroup.hmMatches(m,b,f))return d?c:a[e]}return null},"~A,~S,~N,~B");c.getAllITAData=e(c,"getAllITAData",function(a,b,f){switch(b){case 0:return null==JS.Symmetry.allDataITA&&(JS.Symmetry.allDataITA=JS.Symmetry.getResource(a,"sg/json/ita_all.json")),JS.Symmetry.allDataITA;default:var d="sg/json/it"+(300==b?"a":"e")+"_all_"+JS.SpaceGroup.getSpecialGroupName(b)+".json";switch(b){case 300:return null==JS.Symmetry.allPlaneData&&(JS.Symmetry.allPlaneData=JS.Symmetry.getResource(a,
d),JS.Symmetry.planeData=JS.Symmetry.createSpecialData(b,JS.Symmetry.allPlaneData)),f?JS.Symmetry.allPlaneData:JS.Symmetry.planeData;case 400:return null==JS.Symmetry.allLayerData&&(JS.Symmetry.allLayerData=JS.Symmetry.getResource(a,d),JS.Symmetry.layerData=JS.Symmetry.createSpecialData(b,JS.Symmetry.allLayerData)),f?JS.Symmetry.allLayerData:JS.Symmetry.layerData;case 500:return null==JS.Symmetry.allRodData&&(JS.Symmetry.allRodData=JS.Symmetry.getResource(a,d),JS.Symmetry.rodData=JS.Symmetry.createSpecialData(b,
JS.Symmetry.allRodData)),f?JS.Symmetry.allRodData:JS.Symmetry.rodData;case 600:return null==JS.Symmetry.allFriezeData&&(JS.Symmetry.allFriezeData=JS.Symmetry.getResource(a,d),JS.Symmetry.friezeData=JS.Symmetry.createSpecialData(b,JS.Symmetry.allFriezeData)),f?JS.Symmetry.allFriezeData:JS.Symmetry.friezeData}}return null},"JV.Viewer,~N,~B");c.createSpecialData=e(c,"createSpecialData",function(a,b){for(var f=JS.SpaceGroup.getMax(a),d=Array(f),c=0;c<f;c++)d[c]=new java.util.Hashtable,d[c].put("sg",Integer.$valueOf(c+
1)),d[c].put("its",new JU.Lst);for(var c=0,k=b.size();c<k;c++){var g=b.get(c),e=g.get("sg").intValue();d[e-1].get("its").addLast(g)}for(c=0;c<f;c++)d[c].put("n",Integer.$valueOf(d[c].get("its").size()));return d},"~N,JU.Lst");e(c,"getAllITSubData",function(a){switch(a){default:case 0:return null;case 300:return null==JS.Symmetry.planeSubData&&(JS.Symmetry.planeSubData=JS.Symmetry.getResource(this.vwr,"sg/json/sub_all_plane.json")),JS.Symmetry.planeSubData;case 400:return null==JS.Symmetry.layerSubData&&
(JS.Symmetry.layerSubData=JS.Symmetry.getResource(this.vwr,"sg/json/sub_all_layer.json")),JS.Symmetry.layerSubData;case 500:return null==JS.Symmetry.rodSubData&&(JS.Symmetry.rodSubData=JS.Symmetry.getResource(this.vwr,"sg/json/sub_all_rod.json")),JS.Symmetry.rodSubData;case 600:return null==JS.Symmetry.friezeSubData&&(JS.Symmetry.friezeSubData=JS.Symmetry.getResource(this.vwr,"sg/json/sub_all_frieze.json")),JS.Symmetry.friezeSubData}},"~N");e(c,"getITSubJSONResource",function(a,b){if(0==a){null==
JS.Symmetry.itaSubData&&(JS.Symmetry.itaSubData=Array(230));var f=JS.Symmetry.itaSubData[b-1];null==f&&(JS.Symmetry.itaSubData[b-1]=f=JS.Symmetry.getResource(this.vwr,"sg/json/sub_"+b+".json"));return f}return this.getAllITSubData(a).get(b-1)},"~N,~N");e(c,"getSubgroupIndexData",function(a){var b=JS.SpaceGroup.getSpecialGroupName(a),f=JS.SpaceGroup.getMax(a);switch(a){default:case 0:null==JS.Symmetry.itaSubList&&(JS.Symmetry.itaSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.itaSubList;break;case 300:null==
JS.Symmetry.planeSubList&&(JS.Symmetry.planeSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.planeSubList;break;case 400:null==JS.Symmetry.layerSubList&&(JS.Symmetry.layerSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.layerSubList;break;case 500:null==JS.Symmetry.rodSubList&&(JS.Symmetry.rodSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.rodSubList;break;case 600:null==JS.Symmetry.friezeSubList&&(JS.Symmetry.friezeSubList=JU.AU.newInt3(f+1,0)),f=JS.Symmetry.friezeSubList}a=JS.Symmetry.getResource(this.vwr,"sg/json/sub_"+
(0==a?"":b+"_")+"index.json");for(b=a.size();0<=--b;)for(var d=a.get(b),c=C(d.size()/2),k=f[b+1]=JU.AU.newInt2(c),g=0,e=0;g<c;g++)k[g]=L(-1,[d.get(e++).intValue(),d.get(e++).intValue()]);return f},"~N");c.getResource=e(c,"getResource",function(a,b){try{var f=JV.FileManager.getBufferedReaderForResource(a,JS.Symmetry,"JS/",b),d=Array(1);if(JU.Rdr.readAllAsString(f,2147483647,!1,d,0))return(new JU.JSJSONParser).parse(d[0],!0)}catch(c){System.err.println(c.getMessage())}return null},"JV.Viewer,~S");n(c,
"getCellWeight",function(a){return this.unitCell.getCellWeight(a)},"JU.P3");n(c,"getPrecision",function(){return null==this.unitCell?NaN:this.unitCell.getPrecision()});n(c,"fixUnitCell",function(a){return this.spaceGroup.createCompatibleUnitCell(a,null,!0)},"~A");n(c,"staticGetTransformABC",function(a,b){return JS.SymmetryOperation.getTransformABC(a,b)},"~O,~B");e(c,"setCartesianOffset",function(a){this.unitCell.setCartesianOffset(a)},"JU.T3");e(c,"setSymmetryInfoFromFile",function(a,b,f){var d=a.getModelAuxiliaryInfo(b);
this.symmetryInfo=new JS.SymmetryInfo;f=this.symmetryInfo.setSymmetryInfoFromFile(d,f);null!=f&&(this.setUnitCellFromParams(f,d.containsKey("jmolData"),NaN),this.unitCell.moreInfo=d.get("moreUnitCellInfo"),d.put("infoUnitCell",this.getUnitCellAsArray(!1)),this.setOffsetPt(d.get("unitCellOffset")),d=d.get("matUnitCellOrientation"),null!=d&&this.initializeOrientation(d),null!=this.symmetryInfo.strSUPERCELL&&(d=this.unitCell.getUnitCellVectors(),d[0]=new JU.P3,a.setModelCagePts(b,d,"conventional")),
JU.Logger.debugging&&JU.Logger.debug("symmetryInfos["+b+"]:\n"+this.unitCell.dumpInfo(!0,!0)))},"JM.ModelSet,~N,~A");e(c,"transformUnitCell",function(a){null==a&&(a=JS.UnitCell.toTrm(this.spaceGroup.itaTransform,null));var b=JU.M4.newM4(a);b.invert();for(var f=this.getUnitCellVectors(),d=1;3>=d;d++)this.toFractional(f[d],!0),b.rotate(f[d]),this.toCartesian(f[d],!0);b=new JU.P3;a.getTranslation(b);this.toCartesian(b,!0);f[0].add(b);this.unitCell=JS.UnitCell.fromOABC(f,!1)},"JU.M4");n(c,"staticCleanTransform",
function(a){return JS.SymmetryOperation.getTransformABC(JS.UnitCell.toTrm(a,null),!0)},"~S");n(c,"saveOrRetrieveTransformMatrix",function(a){var b=this.transformMatrix;this.transformMatrix=a;return b},"JU.M4");n(c,"getUnitCellDisplayName",function(){var a=null!=this.spaceGroup?this.spaceGroup.getDisplayName():null!=this.symmetryInfo?this.symmetryInfo.getDisplayName(this):null;return 0<a.length?a:null});n(c,"staticToRationalXYZ",function(a,b){var f=JS.SymmetryOperation.fcoord(a,b);return",".equals(b)?
f:"("+f+")"},"JU.P3,~S");n(c,"getFinalOperationCount",function(){this.setFinalOperations(3,null,null,-1,-1,!1,null);return this.spaceGroup.getOperationCount()});n(c,"convertTransform",function(a,b){if(null==a)return this.staticGetTransformABC(b,!1);if(a.equals("xyz"))return null==b?null:JS.SymmetryOperation.getXYZFromMatrix(b,!1,!1,!1);null==b&&(b=new JU.M4);JS.UnitCell.getMatrixAndUnitCell(null,a,b);return b},"~S,JU.M4");n(c,"staticGetMatrixTransform",function(a,b){return this.getCLEGInstance().getMatrixTransform(this.vwr,
a,b)},"~S,~O");n(c,"staticTransformSpaceGroup",function(a,b,f,d){return this.getCLEGInstance().transformSpaceGroup(this.vwr,a,b,f,d)},"JU.BS,~S,~O,JU.SB");e(c,"getCLEGInstance",function(){null==JS.Symmetry.clegInstance&&(JS.Symmetry.clegInstance=J.api.Interface.getInterface("JS.CLEG",null,"symmetry"));return JS.Symmetry.clegInstance});n(c,"setViewer",function(a){this.vwr=a;return this},"JV.Viewer");n(c,"getUnitCellCenter",function(){return this.unitCell.getCenter(this.getPeriodicity())});c.getSGFactory=
e(c,"getSGFactory",function(){null==JS.Symmetry.groupFactory&&(JS.Symmetry.groupFactory=J.api.Interface.getInterface("JS.SpecialGroupFactory",null,"symmetry"));return JS.Symmetry.groupFactory});c.getSpecialSettingInfo=e(c,"getSpecialSettingInfo",function(a,b,f){var d=b.substring(2),c=d.indexOf(":"),k=d.indexOf(","),g=d.indexOf("."),g=0<c&&k>c?c:g,k=JS.SpaceGroup.getITNo(d,g),d=0<g&&g==c||0>k?0:0<g?JS.SpaceGroup.getITNo(d.substring(g+1),0):1;a=JS.Symmetry.getAllITAData(a,f,!1);return 0<d?a[k-1].get("its").get(d-
1):JS.Symmetry.getSpecialSettingJSON(a,b,f,!0)},"JV.Viewer,~S,~N");n(c,"getConstrainableEquivAtom",function(a){for(var b=this.vwr.ms.getSymmetryEquivAtoms(JU.BSUtil.newAndSetBit(a.i),this,null),f=this.getSymmetryOperations(),d=a,c=9999;0<=c;c=b.nextSetBit(c+1)){if(null==d){if(d=this.vwr.ms.at[c],d===a)continue}else 9999==c&&(c=-1);var k=this.getInvariantSymops(d,null);if(0<k.length)switch(f[k[0]-1].getOpType()){case 2:case 8:return d}d=null}return a},"JM.Atom");c.nullDesc=null;c.aflowStructures=null;
c.itaData=null;c.itaSubData=null;c.planeData=null;c.layerData=null;c.rodData=null;c.friezeData=null;c.itaSubList=null;c.planeSubList=null;c.layerSubList=null;c.rodSubList=null;c.friezeSubList=null;c.allDataITA=null;c.allPlaneData=null;c.allLayerData=null;c.allRodData=null;c.allFriezeData=null;c.planeSubData=null;c.layerSubData=null;c.rodSubData=null;c.friezeSubData=null;c.wyckoffFinder=null;c.clegInstance=null;c.groupFactory=null});ca("JS");ja(["JU.M3","$.V3"],"JS.PointGroup","java.util.Hashtable JU.Lst $.P3 $.PT $.Quat $.SB J.bspt.Bspt JU.BSUtil $.Escape $.Logger $.Point3fi".split(" "),
function(){var c=O(function(){this.isAtoms=!1;this.iter=this.textInfo=this.info=this.drawInfo=null;this.drawType="";this.drawIndex=0;this.scale=NaN;this.axes=this.nAxes=null;this.radius=this.nAtoms=0;this.distanceTolerance=0.25;this.distanceTolerance2=0;this.linearTolerance=8;this.cosTolerance=0.99;this.name="C_1?";this.principalPlane=this.principalAxis=null;this.convention=0;this.vTemp=null;this.centerAtomIndex=-1;this.haveInversionCenter=!1;this.bsAtoms=this.atomMap=this.elements=this.points=this.center=
null;this.$isLinear=this.localEnvOnly=this.haveVibration=!1;this.sppa=0;this.maxAtoms=250;this.maxElement=0;this.eCounts=null;this.nOps=0;Fa("JS.PointGroup.Operation")||JS.PointGroup.$PointGroup$Operation$();P(this,arguments)},JS,"PointGroup",null);ka(c,function(){this.nAxes=L(JS.PointGroup.maxAxis,0);this.axes=Array(JS.PointGroup.maxAxis);this.vTemp=new JU.V3});V(c,function(a){this.convention=a?1:0},"~B");e(c,"getName",function(){return this.getConventionalName(this.name)});e(c,"getHermannMauguinName",
function(){return JS.PointGroup.getHMfromSFName(this.name)});e(c,"getConventionalName",function(a){return 1==this.convention?JS.PointGroup.getHMfromSFName(a):a},"~S");c.getPointGroup=e(c,"getPointGroup",function(a,b,f,d,c,k,g,e,l,j,m){j=new JS.PointGroup(j);0>=k&&(k=0.01);0>=g&&(g=0.5);0>=e&&(e=250);j.distanceTolerance=k;j.distanceTolerance2=k*k;j.linearTolerance=g;j.maxAtoms=e;j.isAtoms=null!=d;j.bsAtoms=j.isAtoms?d:JU.BSUtil.newBitSet2(0,f.length);j.haveVibration=c;j.center=b;j.localEnvOnly=l;j.sppa=
m;JU.Logger.debugging&&(a=null);return j.set(a,f)?j:a},"JS.PointGroup,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B,~B,~N");e(c,"isEqual",function(a){if(null==a||(this.convention!=a.convention||this.linearTolerance!=a.linearTolerance||this.distanceTolerance!=a.distanceTolerance||this.nAtoms!=a.nAtoms||this.localEnvOnly!=a.localEnvOnly||this.haveVibration!=a.haveVibration||null==this.bsAtoms?null!=a.bsAtoms:!this.bsAtoms.equals(a.bsAtoms)))return!1;for(var b=0;b<this.nAtoms;b++)if(this.elements[b]!=a.elements[b]||
!this.points[b].equals(a.points[b]))return!1;return!0},"JS.PointGroup");e(c,"set",function(a,b){this.cosTolerance=Math.cos(3.141592653589793*(this.linearTolerance/180));if(!this.getPointsAndElements(b))return JU.Logger.error("Too many atoms for point group calculation"),this.name="point group not determined -- ac > "+this.maxAtoms+" -- select fewer atoms and try again.",!0;this.getElementCounts();if(this.haveVibration){for(var f=Array(this.points.length),d=this.points.length;0<=--d;){f[d]=JU.P3.newP(this.points[d]);
var c=this.points[d].getVibrationVector();null!=c&&f[d].add(c)}this.points=f}if(this.isEqual(a))return!1;try{this.findInversionCenter();if(this.$isLinear=this.isLinear(this.points))return this.name=this.haveInversionCenter?"D(infinity)h":"C(infinity)v",this.vTemp.sub2(this.points[1],this.points[0]),this.addAxis(16,this.vTemp),this.principalAxis=this.axes[16][0],this.haveInversionCenter&&(this.axes[0]=Array(1),this.principalPlane=this.axes[0][this.nAxes[0]++]=oa(JS.PointGroup.Operation,this,null,this.vTemp)),
!0;this.axes[0]=Array(15);f=0;this.findCAxes();f=this.findPlanes();this.findAdditionalAxes(f);var k=this.getHighestOrder();if(1<this.nAxes[17])this.name=1<this.nAxes[19]?this.haveInversionCenter?"Ih":"I":1<this.nAxes[18]?this.haveInversionCenter?"Oh":"O":0<f?this.haveInversionCenter?"Th":"Td":"T";else if(2>k){if(1==f)return this.name="Cs",!0;if(this.haveInversionCenter)return this.name="Ci",!0;this.name="C1"}else 1==k%2&&0<this.nAxes[16]||0==k%2&&1<this.nAxes[16]?(this.principalAxis=this.setPrincipalAxis(k,
f),0==f?this.name=14>k?"S"+k:"D"+(k-14):(k=14>k?C(k/2):k-14,this.name=f==k?"D"+k+"d":"D"+k+"h")):0==f?(this.principalAxis=this.axes[k][0],this.name=14>k?"S"+k:"C"+(k-14)):f==k-14?(this.principalAxis=this.axes[k][0],this.name="C"+f+"v"):(this.principalAxis=this.axes[14>k?k+14:k][0],this.principalPlane=this.axes[0][0],this.name="C"+(14>k?k/2:k-14)+"h")}catch(g){if(Q(g,Exception))this.name="??";else throw g;}finally{JU.Logger.info("Point group found: "+this.name)}return!0},"JS.PointGroup,~A");e(c,"setPrincipalAxis",
function(a,b){var f=this.setPrincipalPlane(a,b);if(0==b&&14>a||1==this.nAxes[a])return this.axes[a][0];if(null==f)return null;for(var d=0;d<this.nAxes[16];d++)if(this.isParallel(f.normalOrAxis,this.axes[16][d].normalOrAxis))return 0!=d&&(f=this.axes[16][0],this.axes[16][0]=this.axes[16][d],this.axes[16][d]=f),this.axes[16][0];return null},"~N,~N");e(c,"setPrincipalPlane",function(a,b){if(1==b)return this.principalPlane=this.axes[0][0];if(0==b||b==a-14)return null;for(var f=0;f<b;f++)for(var d=0,c=
0;d<b;d++)if(this.isPerpendicular(this.axes[0][f].normalOrAxis,this.axes[0][d].normalOrAxis)&&2<++c)return 0!=f&&(d=this.axes[0][0],this.axes[0][0]=this.axes[0][f],this.axes[0][f]=d),this.principalPlane=this.axes[0][0];return null},"~N,~N");e(c,"getPointsAndElements",function(a){var b=this.bsAtoms.cardinality();if(this.isAtoms&&b>this.maxAtoms)return!1;this.points=Array(b);this.elements=L(b,0);if(0==b)return!0;for(var f=0,b=this.bsAtoms.nextSetBit(0);0<=b;b=this.bsAtoms.nextSetBit(b+1)){var d=a[b];
Y(d,"JU.Node")&&(f=Math.max(f,d.i))}this.atomMap=L(f+1,0);this.nAtoms=0;if(f=null==this.center)this.center=new JU.P3;for(var c=new J.bspt.Bspt(3,0),b=this.bsAtoms.nextSetBit(0);0<=b;b=this.bsAtoms.nextSetBit(b+1),this.nAtoms++){d=a[b];if(Y(d,"JU.Node")){var k=this.localEnvOnly?1:1+Math.max(3,d.getCovalentBondCount());this.elements[this.nAtoms]=d.getElementNumber()*k;this.atomMap[d.i]=this.nAtoms+1}else k=new JU.Point3fi,k.setT(d),k.i=-1-this.nAtoms,Y(d,"JU.Point3fi")&&(this.elements[this.nAtoms]=
Math.max(0,d.sD)),d=k;c.addTuple(d);f&&this.center.add(d);this.points[this.nAtoms]=d}this.iter=c.allocateCubeIterator();f&&this.center.scale(1/this.nAtoms);for(b=this.nAtoms;0<=--b;)a=this.center.distanceSquared(this.points[b]),this.isAtoms&&a<this.distanceTolerance2&&(this.centerAtomIndex=b),this.radius=Math.max(this.radius,a);this.radius=Math.sqrt(this.radius);1.5>this.radius&&0.15<this.distanceTolerance&&(this.distanceTolerance=this.radius/10,this.distanceTolerance2=this.distanceTolerance*this.distanceTolerance,
System.out.println("PointGroup calculation adjusting distanceTolerance to "+this.distanceTolerance));return!0},"~A");e(c,"findInversionCenter",function(){if(this.haveInversionCenter=this.checkOperation(null,this.center,-1))this.axes[1]=Array(1),this.axes[1][0]=oa(JS.PointGroup.Operation,this,null)});e(c,"checkOperation",function(a,b,f){var d=new JU.P3,c=0;f=14>f;var k=this.points.length,g=k;a:for(;0<=--g&&c<k;)if(g!=this.centerAtomIndex){var e=this.points[g],l=this.elements[g];null!=a?(d.sub2(e,b),
a.transform2(d,d).add(b)):d.setT(e);f&&(this.vTemp.sub2(b,d),d.scaleAdd2(2,this.vTemp,d));if((null!=a||f)&&d.distanceSquared(e)<this.distanceTolerance2)c++;else{for(this.iter.initialize(d,this.distanceTolerance,!1);this.iter.hasMoreElements();){var j=this.iter.nextElement();if(j!==e){var m=this.getPointIndex(j.i);if(!(0<=this.centerAtomIndex&&m==this.centerAtomIndex||m>=this.elements.length||this.elements[m]!=l)&&d.distanceSquared(j)<this.distanceTolerance2){c++;continue a}}}return!1}}return!0},"JU.Quat,JU.T3,~N");
e(c,"getPointIndex",function(a){return(0>a?-a:this.atomMap[a])-1},"~N");e(c,"isLinear",function(a){var b=null;if(2>a.length)return!1;for(var f=a.length;0<=--f;)if(f!=this.centerAtomIndex)if(null==b)b=new JU.V3,b.sub2(a[f],this.center),b.normalize(),this.vTemp.setT(b);else if(this.vTemp.sub2(a[f],this.center),this.vTemp.normalize(),!this.isParallel(b,this.vTemp))return!1;return!0},"~A");e(c,"isParallel",function(a,b){return Math.abs(a.dot(b))>=this.cosTolerance},"JU.V3,JU.V3");e(c,"isPerpendicular",
function(a,b){return Math.abs(a.dot(b))<=1-this.cosTolerance},"JU.V3,JU.V3");e(c,"getElementCounts",function(){for(var a=this.points.length;0<=--a;){var b=this.elements[a];b>this.maxElement&&(this.maxElement=b)}this.eCounts=L(++this.maxElement,0);for(a=this.points.length;0<=--a;)this.eCounts[this.elements[a]]++});e(c,"findCAxes",function(){for(var a=new JU.V3,b=new JU.V3,f=new JU.V3,d=this.points.length;0<=--d;)if(d!=this.centerAtomIndex)for(var c=this.points[d],k=this.elements[d],g=this.points.length;--g>
d;){var e=this.points[g];if(this.elements[g]==k)if(a.sub2(c,this.center),b.sub2(e,this.center),a.normalize(),b.normalize(),this.isParallel(a,b))this.getAllAxes(a);else{this.nAxes[16]<JS.PointGroup.axesMaxN[16]&&(f.ave(c,e),f.sub(this.center),this.getAllAxes(f));var e=6.283185307179586/a.angle(b),l=C(Math.floor(e+0.01));if(0.02>=e-l&&!((l+=14)>=JS.PointGroup.maxAxis)&&this.nAxes[l]<JS.PointGroup.axesMaxN[l])f.cross(a,b),this.checkAxisOrder(l,f,this.center)}}c=Array(2*this.nAxes[16]);for(d=0;d<c.length;d++)c[d]=
new JU.V3;for(d=g=0;d<this.nAxes[16];d++)c[g++].setT(this.axes[16][d].normalOrAxis),c[g].setT(this.axes[16][d].normalOrAxis),c[g++].scale(-1);for(d=c.length;2<=--d;)for(g=d;1<=--g;)for(k=g;0<=--k;)f.add2(c[d],c[g]),f.add(c[k]),1>f.length()||this.checkAxisOrder(17,f,this.center);g=2147483647;c=-1;for(d=0;d<this.maxElement;d++)this.eCounts[d]<g&&2<this.eCounts[d]&&(g=this.eCounts[d],c=d);d=0;a:for(;d<this.points.length-2;d++)if(this.elements[d]==c)for(g=d+1;g<this.points.length-1;g++)if(this.elements[g]==
c)for(k=g+1;k<this.points.length;k++)if(this.elements[k]==c&&(a.sub2(this.points[d],this.points[g]),b.sub2(this.points[d],this.points[k]),a.normalize(),b.normalize(),f.cross(a,b),this.getAllAxes(f),a.add2(this.points[d],this.points[g]),a.add(this.points[k]),a.normalize(),this.isParallel(a,f)||this.getAllAxes(a),this.nAxes[19]==JS.PointGroup.axesMaxN[19]))break a;c=Array(this.maxElement);for(d=this.points.length;0<=--d;){k=this.elements[d];if(null==c[k])c[k]=new JU.V3;else if(this.haveInversionCenter)continue;
c[k].add(this.points[d])}if(!this.haveInversionCenter)for(d=0;d<this.maxElement;d++)null!=c[d]&&c[d].scale(1/this.eCounts[d]);for(d=0;d<this.maxElement;d++)if(null!=c[d])for(g=0;g<this.maxElement;g++)d==g||null==c[g]||(this.haveInversionCenter?a.cross(c[d],c[g]):a.sub2(c[d],c[g]),this.checkAxisOrder(16,a,this.center));return this.getHighestOrder()});e(c,"getAllAxes",function(a){for(var b=16;b<JS.PointGroup.maxAxis;b++)this.nAxes[b]<JS.PointGroup.axesMaxN[b]&&this.checkAxisOrder(b,a,this.center)},
"JU.V3");e(c,"getHighestOrder",function(){for(var a=0,a=14;1<--a&&0==this.nAxes[a];);if(1<a)return a+14<JS.PointGroup.maxAxis&&0<this.nAxes[a+14]?a+14:a;for(a=JS.PointGroup.maxAxis;1<--a&&0==this.nAxes[a];);return a});e(c,"checkAxisOrder",function(a,b,f){switch(a){case 22:if(0<this.nAxes[17])return!1;case 20:case 18:if(0<this.nAxes[19])return!1;break;case 17:if(0<this.nAxes[22])return!1;break;case 19:if(0<this.nAxes[18]||0<this.nAxes[20]||0<this.nAxes[22])return!1}b.normalize();if(this.haveAxis(a,
b))return!1;var d=JS.PointGroup.getQuaternion(b,a);if(!this.checkOperation(d,f,a))return!1;this.addAxis(a,b);switch(a){case 16:this.checkAxisOrder(4,b,f);break;case 17:this.checkAxisOrder(3,b,f);this.haveInversionCenter&&this.addAxis(6,b);break;case 18:this.addAxis(16,b);this.checkAxisOrder(4,b,f);this.checkAxisOrder(8,b,f);break;case 19:this.checkAxisOrder(5,b,f);this.haveInversionCenter&&this.addAxis(10,b);break;case 20:this.addAxis(16,b);this.addAxis(17,b);this.checkAxisOrder(3,b,f);this.checkAxisOrder(6,
b,f);this.checkAxisOrder(12,b,f);break;case 22:this.addAxis(16,b),this.addAxis(18,b)}return!0},"~N,JU.V3,JU.T3");e(c,"addAxis",function(a,b){this.haveAxis(a,b)||(null==this.axes[a]&&(this.axes[a]=Array(JS.PointGroup.axesMaxN[a])),this.axes[a][this.nAxes[a]++]=oa(JS.PointGroup.Operation,this,null,b,a))},"~N,JU.V3");e(c,"haveAxis",function(a,b){if(this.nAxes[a]==JS.PointGroup.axesMaxN[a])return!0;if(0<this.nAxes[a])for(var f=this.nAxes[a];0<=--f;)if(this.isParallel(b,this.axes[a][f].normalOrAxis))return!0;
return!1},"~N,JU.V3");e(c,"findPlanes",function(){for(var a=new JU.P3,b=new JU.V3,f=new JU.V3,d=new JU.V3,c=0,k=1<this.getHighestOrder(),g=this.points.length;0<=--g;)if(g!=this.centerAtomIndex)for(var e=this.points[g],l=this.elements[g],j=this.points.length;--j>g;)if(!(k&&this.elements[j]!=l)&&(c=this.points[j],a.add2(e,c),a.scale(0.5),b.sub2(e,this.center),f.sub2(c,this.center),b.normalize(),f.normalize(),this.isParallel(b,f)||(d.cross(b,f),d.normalize(),this.getPlane(d)),d.sub2(c,e),d.normalize(),
c=this.getPlane(d),c==JS.PointGroup.axesMaxN[0]))return c;if(k)for(g=16;g<JS.PointGroup.maxAxis;g++)for(j=0;j<this.nAxes[g];j++)c=this.getPlane(this.axes[g][j].normalOrAxis);return c});e(c,"getPlane",function(a){!this.haveAxis(0,a)&&this.checkOperation(JU.Quat.newVA(a,180),this.center,-1)&&(this.axes[0][this.nAxes[0]++]=oa(JS.PointGroup.Operation,this,null,a));return this.nAxes[0]},"JU.V3");e(c,"findAdditionalAxes",function(a){var b=this.axes[0],f=0;if(1<a&&(f=a+14)<JS.PointGroup.maxAxis&&0==this.nAxes[f])this.vTemp.cross(b[0].normalOrAxis,
b[1].normalOrAxis),!this.checkAxisOrder(f,this.vTemp,this.center)&&2<a&&(this.vTemp.cross(b[1].normalOrAxis,b[2].normalOrAxis),this.checkAxisOrder(f-1,this.vTemp,this.center));if(0==this.nAxes[16]&&2<a)for(f=0;f<a-1;f++)for(var d=f+1;d<a;d++)this.vTemp.add2(b[1].normalOrAxis,b[2].normalOrAxis),this.checkAxisOrder(16,this.vTemp,this.center)},"~N");c.getQuaternion=e(c,"getQuaternion",function(a,b){return JU.Quat.newVA(a,(14>b?180:0)+(0==b?0:C(360/(b%14))))},"JU.V3,~N");e(c,"getInfo",function(a,b,f,
d,c,k){var e=null!=b;this.info=f?new java.util.Hashtable:null;var h=new JU.V3,l;0==k&&(k=1);this.scale=k;for(var j=L(4,2,0),m=1;m<JS.PointGroup.maxAxis;m++)for(var s=this.nAxes[m];0<=--s;)j[this.axes[m][s].type][0]++;var p=(new JU.SB).append("# ").appendI(this.nAtoms).append(" atoms\n"),v=this.getConventionalName(this.name);if(e){b="draw "+b;this.drawType=d=(f=null!=d&&0<d.length)?d:"";this.drawIndex=c;var q=d.equalsIgnoreCase(this.getConventionalName("Cn")),n=d.equalsIgnoreCase(this.getConventionalName("Sn"));
p.append("set perspectivedepth off;\n");var t="_"+a+"_";f||p.append(b+"pg0").append(t).append("* delete;draw pgva").append(t).append("* delete;draw pgvp").append(t).append("* delete;");if(!f||d.equalsIgnoreCase("Ci"))p.append(b+"pg0").append(t).append(this.haveInversionCenter?"inv ":" ").append(JU.Escape.eP(this.center)).append(this.haveInversionCenter?'"i";\n':";\n");for(var w=0.1,m=2;m<JS.PointGroup.maxAxis;m++)if(14==m&&(w=0.1),0!=this.nAxes[m]){a=!this.$isLinear?this.axes[m][0].getLabel(!1):"C_infinity";
var e=!this.$isLinear?this.axes[m][0].getLabel(!0):"C_infinity",w=w+0.25,x=1.05*k*this.radius+80*w/this.sppa,s=14<=m;if(!f||d.equalsIgnoreCase(e)||q&&s||n&&!s)for(s=0;s<this.nAxes[m];s++)if(!(0<c&&s+1!=c)){l=this.axes[m][s];h.add2(l.normalOrAxis,this.center);p.append(b+"pgva").append(t).append(a).append("_").appendI(s+1).append(" width 0.05 scale ").appendF(2==l.type?-x:x).append(" ").append(JU.Escape.eP(h));h.scaleAdd2(-2,l.normalOrAxis,h);var y=!this.$isLinear&&null!=this.principalAxis&&l.index==
this.principalAxis.index;p.append(JU.Escape.eP(h)).append('"').append(e).append("").append('" color ').append(y?"red":2==l.type?"blue":"orange").append(";\n")}}if(!f||d.equalsIgnoreCase(this.getConventionalName("Cs")))for(s=0;s<this.nAxes[0];s++)0<c&&s+1!=c||(l=this.axes[0][s],p.append(b+"pgvp").append(t).appendI(s+1).append("disk scale ").appendF(2*k*this.radius).append(" CIRCLE PLANE ").append(JU.Escape.eP(this.center)),h.add2(l.normalOrAxis,this.center),p.append(JU.Escape.eP(h)).append(" color translucent yellow;\n"),
h.add2(l.normalOrAxis,this.center),p.append(b+"pgvp").append(t).appendI(s+1).append("ring width 0.05 scale ").appendF(2*k*this.radius).append(" arc ").append(JU.Escape.eP(h)),h.scaleAdd2(-2,l.normalOrAxis,h),p.append(JU.Escape.eP(h)),h.add3(0.011,0.012,0.013),p.append(JU.Escape.eP(h)).append("{0 360 0.5} color ").append(null!=this.principalPlane&&l.index==this.principalPlane.index?"red":"blue").append(";\n"));p.append("# name=").append(v);p.append(", n"+this.getConventionalName("Ci")+"=").appendI(this.haveInversionCenter?
1:0);p.append(", n"+this.getConventionalName("Cs")+"=").appendI(this.nAxes[0]);p.append(", n"+this.getConventionalName("Cn")+"=").appendI(j[1][0]);p.append(", n"+this.getConventionalName("Sn")+"=").appendI(j[2][0]);p.append(": ");for(m=JS.PointGroup.maxAxis;2<=--m;)0<this.nAxes[m]&&(j=this.getConventionalName((14>m?"S":"C")+m%14),p.append(" n").append(j),p.append("=").appendI(this.nAxes[m]));p.append(";\n");p.append("print '"+v+"';\n");this.drawInfo=p.toString();JU.Logger.debugging&&JU.Logger.info(this.drawInfo);
return this.drawInfo}s=0;b=1;d=0;m=this.haveInversionCenter?this.getConventionalName("Ci"):"center";this.haveInversionCenter&&(b++,d++);f?null!=this.center&&(this.info.put(m,this.center),this.haveInversionCenter&&this.info.put("center",this.center),this.info.put(m,this.center)):p.append("\n\n").append(v).append("\t").append(m).append("\t").append(JU.Escape.eP(this.center));for(m=JS.PointGroup.maxAxis;0<=--m;)if(0<this.nAxes[m]){s=JS.PointGroup.nUnique[m];e=this.axes[m][0].getLabel(!0);a=this.axes[m][0].getLabel(!1);
f?this.info.put("n"+a,Integer.$valueOf(this.nAxes[m])):p.append("\n\n").append(v).append("\tn").append(e).append("\t").appendI(this.nAxes[m]).append("\t").appendI(s);s*=this.nAxes[m];b+=s;d+=this.nAxes[m];j[this.axes[m][0].type][1]+=s;e=f?new JU.Lst:null;c=f?new JU.Lst:null;for(s=0;s<this.nAxes[m];s++)k=this.axes[m][s],f?(e.addLast(k.normalOrAxis),c.addLast(k.getM3())):p.append("\n").append(v).append("\t").append(a).append("_").appendI(s+1).append("\t").appendO(k.normalOrAxis);f&&(this.info.put(a,
e),this.info.put(a+"_m",c))}if(!f)return p.append("\n"),p.append("\n").append(v).append("\ttype\tnElements\tnUnique"),p.append("\n").append(v).append("\t"+this.getConventionalName("E")+"\t  1\t  1"),s=this.haveInversionCenter?1:0,p.append("\n").append(v).append("\t"+this.getConventionalName("Ci")+"\t  ").appendI(s).append("\t  ").appendI(s),p.append("\n").append(v).append("\t"+this.getConventionalName("Cs")+"\t"),JU.PT.rightJustify(p,"    ",this.nAxes[0]+"\t"),JU.PT.rightJustify(p,"    ",this.nAxes[0]+
"\n"),p.append(v).append("\t"+this.getConventionalName("Cn")+"\t"),JU.PT.rightJustify(p,"    ",j[1][0]+"\t"),JU.PT.rightJustify(p,"    ",j[1][1]+"\n"),p.append(v).append("\t"+this.getConventionalName("Sn")+"\t"),JU.PT.rightJustify(p,"    ",j[2][0]+"\t"),JU.PT.rightJustify(p,"    ",j[2][1]+"\n"),p.append(v).append("\t\tTOTAL\t"),JU.PT.rightJustify(p,"    ",b+"\n"),this.textInfo=p.toString();this.info.put("name",this.name);this.info.put("hmName",this.getHermannMauguinName());this.info.put("nAtoms",
Integer.$valueOf(this.nAtoms));this.info.put("nTotal",Integer.$valueOf(b));this.info.put("nElements",Integer.$valueOf(d));this.info.put("nCi",Integer.$valueOf(this.haveInversionCenter?1:0));this.haveInversionCenter&&this.info.put("Ci_m",JU.M3.newM3(JS.PointGroup.mInv));this.info.put("nCs",Integer.$valueOf(this.nAxes[0]));this.info.put("nCn",Integer.$valueOf(j[1][0]));this.info.put("nSn",Integer.$valueOf(j[2][0]));this.info.put("distanceTolerance",Float.$valueOf(this.distanceTolerance));this.info.put("linearTolerance",
Float.$valueOf(this.linearTolerance));this.info.put("points",this.points);this.info.put("detail",p.toString().$replace("\n",";"));null!=this.principalAxis&&0<this.principalAxis.index&&this.info.put("principalAxis",this.principalAxis.normalOrAxis);null!=this.principalPlane&&0<this.principalPlane.index&&this.info.put("principalPlane",this.principalPlane.normalOrAxis);return this.info},"~N,~S,~B,~S,~N,~N");e(c,"isDrawType",function(a,b,f){return null!=this.drawInfo&&this.drawType.equals(null==a?"":a)&&
this.drawIndex==b&&this.scale==f},"~S,~N,~N");c.getHMfromSFName=e(c,"getHMfromSFName",function(a){if(null==JS.PointGroup.htSFToHM){JS.PointGroup.htSFToHM=new java.util.Hashtable;var b=JS.PointGroup.SF2HM;JS.PointGroup.addNames("E","1");JS.PointGroup.addNames("Ci","-1");JS.PointGroup.addNames("Cn","n");JS.PointGroup.addNames("Sn","-n");for(var f=0;f<b.length;f++){var d=b[f].$plit(","),c=d[0];if(2==d.length)JS.PointGroup.addNames(c,d[1]);else{for(var k=c.substring(0,1),c=c.substring(2,c.length),e=1;13>
e;e++){var h=d[e];0<h.length&&(JS.PointGroup.addNames(k+e+c,h),System.out.println(k+e+c+"\t"+h))}14==d.length&&JS.PointGroup.addNames(k+"\u221e"+c,d[13])}}}b=JS.PointGroup.htSFToHM.get(a);return null==b?a:b},"~S");c.addNames=e(c,"addNames",function(a,b){JS.PointGroup.htSFToHM.put(a,b);JS.PointGroup.htSFToHM.put(b,a)},"~S,~S");c.$PointGroup$Operation$=function(){var a=O(function(){Ka(this,arguments);this.index=this.order=this.type=0;this.normalOrAxis=null;this.typeOrder=0;this.mat=null;P(this,arguments)},
JS.PointGroup,"Operation",null);V(a,function(){this.index=++this.b$["JS.PointGroup"].nOps;this.type=3;this.typeOrder=this.order=1;JU.Logger.debugging&&JU.Logger.debug("new operation -- "+JS.PointGroup.typeNames[this.type])});V(a,function(b,a){this.index=++this.b$["JS.PointGroup"].nOps;this.type=14>a?2:1;this.typeOrder=a;this.order=a%14;this.normalOrAxis=JU.Quat.newVA(b,180).getNormal();JU.Logger.debugging&&JU.Logger.debug("new operation -- "+(this.order==a?"S":"C")+this.order+" "+this.normalOrAxis)},
"JU.V3,~N");V(a,function(b){null!=b&&(this.index=++this.b$["JS.PointGroup"].nOps,this.type=0,this.normalOrAxis=JU.Quat.newVA(b,180).getNormal(),JU.Logger.debugging&&JU.Logger.debug("new operation -- plane "+this.normalOrAxis))},"JU.V3");e(a,"getLabel",function(b){var a;switch(this.type){case 0:a="Cs";break;case 2:a="S"+this.order;break;default:a="C"+this.order}return b?this.b$["JS.PointGroup"].getConventionalName(a):a},"~B");e(a,"getM3",function(){if(null!=this.mat)return this.mat;var b=JU.M3.newM3(JS.PointGroup.getQuaternion(this.normalOrAxis,
this.typeOrder).getMatrix());(0==this.type||2==this.type)&&b.mul(JS.PointGroup.mInv);this.cleanMatrix(b);return this.mat=b});e(a,"cleanMatrix",function(b){for(var a=0;3>a;a++)for(var d=0;3>d;d++)b.setElement(a,d,this.approx0(b.getElement(a,d)))},"JU.M3");e(a,"approx0",function(b){return 1E-15<b||-1E-15>b?b:0},"~N");n(a,"toString",function(){return this.getLabel(!1)+" "+this.normalOrAxis})};c.axesMaxN=L(-1,[15,0,0,1,3,1,10,0,1,0,6,0,1,0,0,0,15,10,6,6,10,0,1]);c.nUnique=L(-1,[1,0,0,2,2,4,2,0,4,0,4,
0,4,0,0,0,1,2,2,4,2,0,4]);c.maxAxis=JS.PointGroup.axesMaxN.length;c.typeNames=H(-1,["plane","proper axis","improper axis","center of inversion"]);c.mInv=JU.M3.newA9(F(-1,[-1,0,0,0,-1,0,0,0,-1]));c.SF2HM="Cn,1,2,3,4,5,6,7,8,9,10,11,12|Cnv,m,2m,3m,4mm,5m,6mm,7m,8mm,9m,10mm,11m,12mm,\u221em|Sn,,-1,-6,-4,(-10),-3,(-14),-8,(-18),-5,(-22),(-12)|Cnh,m,2/m,-6,4/m,-10,6/m,-14,8/m,-18,10/m,-22,12/m|Dn,,222,32,422,52,622,72,822,92,(10)22,(11)2,(12)22|Dnd,,-42m,-3m,-82m,-5m,(-12)2m,-7m,(-16)2m,-9m,(-20)2m,(-11)m,(-24)2m|Dnh,,mmm,-6m2,4/mmm,(-10)m2,6/mmm,(-14)m2,8/mmm,(-18)m2,10/mmm,(-22)m2,12/mmm,\u221e/mm|Ci,-1|Cs,m|T,23|Th,m-3|Td,-43m|O,432|Oh,m-3m".$plit("\\|");
c.htSFToHM=null});ca("JS");ja(["JS.HallInfo","java.util.Hashtable"],"JS.SpaceGroup","java.util.Arrays JU.AU $.Lst $.M4 $.P3 $.PT $.SB JS.Symmetry $.SymmetryOperation $.UnitCell JU.Logger $.SimpleUnitCell".split(" "),function(){var c=O(function(){this.specialPrefix="";this.groupType=0;this.xyzList=this.allOperations=this.finalOperations=this.symmetryOperations=null;this.axisChoice=this.uniqueAxis="\x00";this.jmolId=this.itaNumber=null;this.operationCount=0;this.latticeOp=-1;this.isBio=!1;this.latticeType=
"P";this.itaTransform=null;this.setNo=this.itaNo=0;this.sfIndex=-1;this.itaIndex=null;this.nDim=3;this.periodicity=7;this.canonicalCLEG=this.clegId=null;this.index=0;this.referenceIndex=-1;this.isSSG=!1;this.name="unknown!";this.hallInfo=this.jmolIdExt=this.hmSymbol=this.crystalClass=this.hallSymbolAlt=this.hallSymbol=null;this.modDim=this.latticeParameter=0;this.doNormalize=!0;this.hmSymbolAbbrShort=this.hmSymbolAlternative=this.hmSymbolAbbr=this.hmSymbolExt=this.hmSymbolFull=this.nHallOperators=
this.info=null;this.ambiguityType="\x00";this.displayName=this.strName=null;P(this,arguments)},JS,"SpaceGroup",null,[Cloneable,JS.HallInfo.HallReceiver]);V(c,function(b,a,d){++JS.SpaceGroup.sgIndex;0>b&&(b=JS.SpaceGroup.sgIndex);this.index=b;this.init(d&&null==a);d&&null!=a&&this.buildSelf(a)},"~N,~S,~B");e(c,"setFrom",function(b,a){a?(this.setName(b.itaNumber.equals("0")?this.clegId:"HM:"+b.hmSymbolFull+" #"+b.clegId),this.referenceIndex=-2):(this.setName(b.getName()),this.referenceIndex=b.index);
this.latticeType=b.latticeType;this.specialPrefix=b.specialPrefix;this.periodicity=b.periodicity;this.groupType=b.groupType;this.setClegId(b.getClegId());this.itaIndex=b.itaIndex;this.crystalClass=b.crystalClass;this.hallSymbol=b.hallSymbol;this.hmSymbol=b.hmSymbol;this.hmSymbolAbbr=b.hmSymbolAbbr;this.hmSymbolAbbrShort=b.hmSymbolAbbrShort;this.hmSymbolAlternative=b.hmSymbolAlternative;this.hmSymbolExt=b.hmSymbolExt;this.hmSymbolFull=b.hmSymbolFull;this.itaNumber=b.itaNumber;this.itaTransform=b.itaTransform;
this.strName=this.displayName=this.jmolIdExt=this.jmolId=null;return this},"JS.SpaceGroup,~B");c.getNull=e(c,"getNull",function(b,a,d){b=new JS.SpaceGroup(-1,null,b);b.doNormalize=a;d&&b.setFinalOperations();return b},"~B,~B,~B");e(c,"init",function(b){this.xyzList=new java.util.Hashtable;this.operationCount=0;b&&this.addSymmetry("x,y,z",0,!1)},"~B");c.createSpaceGroup=e(c,"createSpaceGroup",function(b,a,d,c){var k=null;0<=b?k=JS.SpaceGroup.SG[b]:(k=Y(d,"JU.Lst")?JS.SpaceGroup.createSGFromList(a,
d):JS.SpaceGroup.determineSpaceGroupNA(a,d),null==k&&(k=JS.SpaceGroup.createSpaceGroupN(0>=c?a:"x1,x2,x3,x4,x5,x6,x7,x8,x9".substring(0,3*c+8),!0)));null!=k&&k.generateMatrixOperators(null);return k},"~N,~S,~O,~N");e(c,"getItaIndex",function(){return null!=this.itaIndex&&!"--".equals(this.itaIndex)?this.itaIndex:!"0".equals(this.itaNumber)?this.itaNumber:!"--".equals(this.hallSymbol)?"["+this.hallSymbol+"]":"?"});e(c,"getIndex",function(){return 0<=this.referenceIndex?this.referenceIndex:this.index});
e(c,"setClegId",function(b){this.clegId=b;this.canonicalCLEG=JS.SpaceGroup.canonicalizeCleg(b)},"~S");e(c,"getClegId",function(){return this.clegId});c.createSGFromList=e(c,"createSGFromList",function(b,a){var d=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0);d.doNormalize=!1;d.setName(b);var c=a.size();if(0==c)return d;for(var k=0;k<c;k++){var e=a.get(k);if(Y(e,"JS.SymmetryOperation")){var h=d.addOp(e,e.xyz,!1);d.symmetryOperations[h].setTimeReversal(e.timeReversal)}else d.addSymmetrySM("xyz matrix:"+
e,e)}d.setFinalOperationsSafely();c=d.getReferenceSpaceGroup();null!=c&&(d=c);return d},"~S,JU.Lst");e(c,"addSymmetry",function(b,a,d){b=b.toLowerCase();return 0>b.indexOf("[[")&&0>b.indexOf("x4")&&0>b.indexOf(";")&&(0>b.indexOf("x")||0>b.indexOf("y")||0>b.indexOf("z"))?-1:this.addOperation(b,a,d)},"~S,~N,~B");e(c,"setFinalOperationsSafely",function(){null==this.finalOperations&&this.setFinalOperations()});e(c,"setFinalOperations",function(){this.setFinalOperationsForAtoms(3,null,0,0,!1)});e(c,"setFinalOperationsForAtoms",
function(b,a,d,c,k){if(null==this.hallInfo&&0!=this.latticeParameter){var e=new JS.HallInfo(JS.HallInfo.getHallLatticeEquivalent(this.latticeParameter));this.generateMatrixOperators(e)}else this.checkCreateFromHall();this.finalOperations=null;this.isBio=0<=this.name.indexOf("bio");!this.isBio&&(this.index>=JS.SpaceGroup.SG.length&&this.allowCheckForReference())&&(e=this.getReferenceSpaceGroup(),null!=e&&e!==this&&this.setFrom(e,!1));0==this.operationCount&&this.addOperation("x,y,z",1,!1);this.finalOperations=
Array(this.operationCount);var e=k&&0<c&&null!=a,h=null;if(e){h=this.finalOperations[0]=new JS.SymmetryOperation(this.symmetryOperations[0],0,!0);null==h.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(b,h,a,d,c);var l=a[d],j=JU.P3.newP(l);h.rotTrans(j);if(1E-4<j.distance(l))for(var m=0;m<c;m++)l=a[d+m],j.setT(l),h.rotTrans(j),l.setT(j);k||(h=null)}for(m=0;m<this.operationCount;m++){if(0<m||null==h)h=this.finalOperations[m]=new JS.SymmetryOperation(this.symmetryOperations[m],0,k),h.isFinalized||
h.doFinalize();e&&null==h.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(b,h,a,d,c);h.getCentering()}},"~N,~A,~N,~N,~B");e(c,"allowCheckForReference",function(){return 0==this.modDim&&null!=this.symmetryOperations&&0<this.symmetryOperations.length&&0==this.symmetryOperations[0].timeReversal&&0>this.name.indexOf("[subsystem")});c.newHallInfo=e(c,"newHallInfo",function(b){b.startsWith("Hall:")&&(b=b.substring(5).trim());return new JS.HallInfo(b)},"~S");e(c,"getOperationCount",function(){this.setFinalOperationsSafely();
return this.finalOperations.length});e(c,"getOperation",function(b){return this.finalOperations[b]},"~N");e(c,"getAdditionalOperationsCount",function(){this.setFinalOperationsSafely();null==this.allOperations&&(this.allOperations=JS.SymmetryOperation.getAdditionalOperations(this.finalOperations,this.periodicity<<4|this.nDim));return this.allOperations.length-this.getOperationCount()});e(c,"getAdditionalOperations",function(){this.getAdditionalOperationsCount();return this.allOperations});e(c,"getAllOperation",
function(b){return this.allOperations[b]},"~N");e(c,"getXyz",function(b,a){return null==this.finalOperations?this.symmetryOperations[b].getXyz(a):this.finalOperations[b].getXyz(a)},"~N,~B");c.findSpaceGroupFromXYZ=e(c,"findSpaceGroupFromXYZ",function(b){var a=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0);a.doNormalize=!1;b=b.$plit(";");for(var d=0,c=b.length;d<c;d++){var k=new JS.SymmetryOperation(null,d,!1);k.setMatrixFromXYZ(b[d],0,!1);a.addOp(k,b[d],!1)}return JS.SpaceGroup.findReferenceSpaceGroup(a.operationCount,
a.getCanonicalSeitzList(),null)},"~S");c.getInfo=e(c,"getInfo",function(b,a,d,c,k){try{if(null!=b&&b.index>=JS.SpaceGroup.SG.length){var e=JS.SpaceGroup.findReferenceSpaceGroup(b.operationCount,b.getCanonicalSeitzList(),b.clegId);null!=e&&(b=e)}if(null!=d){if(null==b){0<=a.indexOf("[")&&(a=a.substring(0,a.indexOf("[")).trim());if(a.equals("unspecified!"))return"no space group identified in file";b=JS.SpaceGroup.determineSpaceGroupNA(a,d)}}else{if(a.equalsIgnoreCase("ALL"))return JS.SpaceGroup.dumpAll(c);
if(a.equalsIgnoreCase("MAP"))return JS.SpaceGroup.dumpAll(!0);if(a.equalsIgnoreCase("ALLSEITZ"))return JS.SpaceGroup.dumpAllSeitz();b=JS.SpaceGroup.determineSpaceGroupN(a)}if(null==b){var h=JS.SpaceGroup.createSpaceGroupN(a,!0);null!=h&&(h=JS.SpaceGroup.findReferenceSpaceGroup(h.operationCount,h.getCanonicalSeitzList(),h.clegId));null!=h&&(b=h)}if(null!=b){if(c)return b.dumpInfoObj();for(var l=new JU.SB;null!=b&&!(b.index<JS.SpaceGroup.SG.length||k);)b=JS.SpaceGroup.SG[b.index];b.getOperationCount();
l.append(b.dumpInfo());return l.toString()}return c?null:"?"}catch(j){if(Q(j,Exception))return"?";throw j;}},"JS.SpaceGroup,~S,~A,~B,~B");e(c,"dumpInfo",function(){var b=new JU.SB;0!=this.groupType&&b.append("\ngroupType: ").append(JS.SpaceGroup.getSpecialGroupName(this.groupType));b.append("\nHermann-Mauguin symbol: ");null==this.hmSymbol||null==this.hmSymbolExt?b.append("?"):b.append(this.hmSymbol).append(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:"");null!=this.itaNumber&&b.append("\ninternational table number: ").append(this.itaNumber);
null!=this.crystalClass&&b.append("\ncrystal class: "+this.crystalClass);null!=this.jmolId&&b.append("\nJmol_ID: ").append(this.jmolId).append(" ("+this.itaIndex+")");null!=this.clegId&&b.append("\nCLEG: "+this.clegId);b.append("\n\n").append(null==this.hallInfo?"Hall symbol unknown":JU.Logger.debugging?this.hallInfo.dumpInfo():"");b.append("\n\n").appendI(this.operationCount).append(" operators").append(null!=this.hallInfo&&!this.hallInfo.getHallSymbol().equals("--")?" from Hall symbol "+this.hallInfo.getHallSymbol():
"").append(": ");for(var a=0;a<this.operationCount;a++)b.append("\n").append(this.symmetryOperations[a].xyz);return b.toString()});e(c,"dumpInfoObj",function(){var b=this.dumpCanonicalSeitzList();if(Y(b,"JS.SpaceGroup"))return b.dumpInfoObj();b=new java.util.Hashtable;if(null!=this.itaNumber&&!this.itaNumber.equals("0")){var a=null==this.hmSymbol||null==this.hmSymbolExt?"?":this.hmSymbol+(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:"");b.put("index",Integer.$valueOf(this.index));b.put("hm",a);
b.put("HermannMauguinSymbol",a);b.put("ita",Integer.$valueOf(JU.PT.parseInt(this.itaNumber)));null!=this.hallInfo&&null!=this.hallInfo.getHallSymbol()&&b.put("HallSymbol",this.hallInfo.getHallSymbol());null!=this.hallSymbolAlt&&b.put("HallSymbolAlt",this.hallSymbolAlt);b.put("itaIndex",null==this.itaIndex?"n/a":this.itaIndex);b.put("clegId",null==this.itaIndex?"n/a":this.clegId);null!=this.jmolId&&b.put("jmolId",this.jmolId);null!=this.crystalClass&&b.put("crystalClass",this.crystalClass);b.put("operationCount",
Integer.$valueOf(this.operationCount))}else null!=this.hallInfo&&(null!=this.hallInfo.getHallSymbol()&&b.put("HallSymbol",this.hallInfo.getHallSymbol()),null!=this.hallSymbolAlt&&b.put("HallSymbolAlt",this.hallSymbolAlt),b.put("operationCount",Integer.$valueOf(this.operationCount)));for(var a=new JU.Lst,d=0;d<this.operationCount;d++)a.addLast(this.symmetryOperations[d].xyz);b.put("operationsXYZ",a);return b});e(c,"getCIFWriterValue",function(b,a){var d=null;switch(b){case "HermannMauguinSymbol":d=
this.hmSymbol;break;case "ita":d=this.itaNumber;break;case "HallSymbol":d=this.hallSymbol}if(null!=d)return d;null==this.info&&(this.info=JS.SpaceGroup.getInfo(this,this.hmSymbol,a.getUnitCellParams(),!0,!1));if("string"==typeof this.info)return null;d=this.info.get(b);return null==d?null:d.toString()},"~S,J.api.SymmetryInterface");e(c,"getName",function(){return this.name});e(c,"getShelxLATTDesignation",function(){return JS.HallInfo.getLatticeDesignation(this.latticeParameter)});e(c,"setLatticeParam",
function(b){this.latticeParameter=b;10<b&&(this.latticeParameter=-JS.HallInfo.getLatticeIndexFromCode(b))},"~N");e(c,"dumpCanonicalSeitzList",function(){this.checkCreateFromHall();var b=this.getCanonicalSeitzList();if(this.index>=JS.SpaceGroup.SG.length){var a=JS.SpaceGroup.findReferenceSpaceGroup(this.operationCount,b,this.clegId);if(null!=a)return a.getCanonicalSeitzList()}return(0<=this.index&&this.index<JS.SpaceGroup.SG.length?this.hallSymbol+" = ":"")+b});e(c,"checkCreateFromHall",function(){null!=
this.nHallOperators&&null!=this.hallSymbol&&(this.hallInfo=JS.SpaceGroup.newHallInfo(this.hallSymbol),this.generateMatrixOperators(null))});e(c,"getReferenceSpaceGroup",function(){if(-2==this.referenceIndex||0<=this.index&&this.index<JS.SpaceGroup.SG.length||!this.allowCheckForReference())return this;var b=this.getCanonicalSeitzList();return null==b?null:JS.SpaceGroup.findReferenceSpaceGroup(this.operationCount,b,this.clegId)});e(c,"getCanonicalSeitzList",function(){return JS.SpaceGroup.getCanonicalSeitzForOperations(this.symmetryOperations,
this.operationCount)});c.getCanonicalSeitzForOperations=e(c,"getCanonicalSeitzForOperations",function(b,a){for(var d=Array(a),c=0;c<a;c++)d[c]=JS.SymmetryOperation.dumpSeitz(b[c],!0);java.util.Arrays.sort(d,0,a);for(var k=(new JU.SB).append("\n["),c=0;c<a;c++)k.append(d[c].$replace("\t"," ").$replace("\n"," ")).append("; ");k.append("]");return k.toString()},"~A,~N");c.findReferenceSpaceGroup=e(c,"findReferenceSpaceGroup",function(b,a,d){b=JS.SpaceGroup.htByOpCount.get(Integer.$valueOf(b));if(null!=
b)for(var c=0,k=b.size();c<k;c++){var e=b.get(c);if(null!=d&&d.equals(e.clegId)||(null==e.clegId||null==d||d.equals("0:a,b,c"))&&0<=JS.SpaceGroup.getCanonicalSeitz(e.index).indexOf(a))return JS.SpaceGroup.SG[e.index]}return null},"~N,~S,~S");c.dumpAll=e(c,"dumpAll",function(b){if(b){var a=new JU.Lst;for(b=0;b<JS.SpaceGroup.SG.length;b++)a.addLast(JS.SpaceGroup.SG[b].dumpInfoObj());return a}a=new JU.SB;for(b=0;b<JS.SpaceGroup.SG.length;b++)a.append("\n----------------------\n"+JS.SpaceGroup.SG[b].dumpInfo());
return a.toString()},"~B");c.dumpAllSeitz=e(c,"dumpAllSeitz",function(){for(var b=new JU.SB,a=0;a<JS.SpaceGroup.SG.length;a++)b.append("\n").appendO(JS.SpaceGroup.getCanonicalSeitz(a));return b.toString()});c.getCanonicalSeitz=e(c,"getCanonicalSeitz",function(b){null==JS.SpaceGroup.canonicalSeitzList&&(JS.SpaceGroup.canonicalSeitzList=Array(JS.SpaceGroup.SG.length));var a=JS.SpaceGroup.canonicalSeitzList[b];return null==a?JS.SpaceGroup.canonicalSeitzList[b]=JS.SpaceGroup.SG[b].dumpCanonicalSeitzList().toString():
a},"~N");e(c,"setLattice",function(b,a){this.latticeParameter=JS.HallInfo.getLatticeIndex(b);a||(this.latticeParameter=-this.latticeParameter)},"~S,~B");c.createSpaceGroupN=e(c,"createSpaceGroupN",function(b,a){b=b.trim();var d=JS.SpaceGroup.determineSpaceGroupN(b);if(null==d&&a){var c=JS.SpaceGroup.newHallInfo(b);c.isGenerated()?(d=new JS.SpaceGroup(-1,"0;--;--;0;--;--;"+b,!0),d.hallInfo=c,d.hallSymbol=c.getHallSymbol(),d.setName("["+d.hallSymbol+"]"),d.jmolId=null):0<=b.indexOf(",")&&(d=new JS.SpaceGroup(-1,
"0;--;--;0;--;--;--",!0),d.doNormalize=!1,d.generateOperatorsFromXyzInfo(b))}if(null!=d)try{return d.generateMatrixOperators(null),d}catch(e){if(!Q(e,Exception))throw e;}return null},"~S,~B");e(c,"addOperation",function(b,a,d){if(null==b||3>b.length)return this.init(!1),-1;b=JU.PT.rep(b," ","");var c="="==b.charAt(0);c&&(b=b.substring(1));var e=this.checkXYZlist(b);if(0<=e)return e;if(b.startsWith("x1,x2,x3,x4")&&0==this.modDim)this.xyzList.clear(),this.operationCount=0,this.modDim=JU.PT.parseInt(b.substring(b.lastIndexOf("x")+
1))-3;else if(0<=b.indexOf("m")||0<=b.indexOf("u"))if(b=JU.PT.rep(b,"+m","m"),b.equals("x,y,z,m")||b.equals("x,y,z(mx,my,mz)")||b.equals("x,y,z(u,v,w)"))this.xyzList.clear(),this.operationCount=0;a=new JS.SymmetryOperation(null,a,this.doNormalize);if(!a.setMatrixFromXYZ(b,this.modDim,d))return JU.Logger.error("couldn't interpret symmetry operation: "+b),-1;"!"==b.charAt(0)&&(b=b.substring(b.lastIndexOf("!")+1));return this.addOp(a,b,c)},"~S,~N,~B");e(c,"checkXYZlist",function(b){return this.xyzList.containsKey(b)?
this.xyzList.get(b).intValue():-1},"~S");e(c,"addOp",function(b,a,d){var c=b.xyz;if(!d){d=this.checkXYZlist(c);if(0<=d)return d;0>this.latticeOp&&(d=JU.PT.replaceAllCharacters(0<this.modDim?JS.SymmetryOperation.replaceXn(c,this.modDim+3):c,"+123/",""),this.xyzList.containsKey(d+"!")?this.latticeOp=this.operationCount:this.xyzList.put(d+"!",Integer.$valueOf(this.operationCount)));this.xyzList.put(c,Integer.$valueOf(this.operationCount))}c.equals(a)||this.xyzList.put(a,Integer.$valueOf(this.operationCount));
null==this.symmetryOperations&&(this.symmetryOperations=Array(4));this.operationCount==this.symmetryOperations.length&&(this.symmetryOperations=JU.AU.arrayCopyObject(this.symmetryOperations,2*this.operationCount));this.symmetryOperations[this.operationCount++]=b;b.number=this.operationCount;0!=b.timeReversal&&(this.symmetryOperations[0].timeReversal=1);JU.Logger.debugging&&JU.Logger.debug("\naddOperation "+this.operationCount+b.dumpInfo());return this.operationCount-1},"JS.SymmetryOperation,~S,~B");
e(c,"generateOperatorsFromXyzInfo",function(b){this.init(!0);b=JU.PT.split(b.toLowerCase(),";");for(var a=0;a<b.length;a++)this.addSymmetry(b[a],0,!1)},"~S");e(c,"generateMatrixOperators",function(b){if(null==b){if(0<this.operationCount)return;if(null==this.hallSymbol||this.hallSymbol.endsWith("?")){this.checkHallOperators();return}this.symmetryOperations=Array(4);if(null==this.hallInfo||!this.hallInfo.isGenerated())this.hallInfo=JS.SpaceGroup.newHallInfo(this.hallSymbol);this.setLattice(this.hallInfo.getLatticeCode(),
this.hallInfo.isCentrosymmetric());this.init(!0);b=this.hallInfo}b.generateAllOperators(this);null==this.hmSymbol&&(this.hmSymbol="--");this.hmSymbol.equals("--")&&(this.hallSymbol=b.getHallSymbol(),this.nHallOperators=Integer.$valueOf(this.operationCount));null!=this.nHallOperators&&this.operationCount!=this.nHallOperators.intValue()&&JU.Logger.error("Operator mismatch "+this.operationCount+" for "+this);b=b.getLatticeCode();switch(b.charCodeAt(0)){case 0:case 83:case 84:case 80:this.latticeType=
"P";break;default:this.latticeType=b}},"JS.HallInfo");e(c,"addSymmetrySM",function(b,a){var d=this.addOperation(b,0,!1);0<=d&&this.symmetryOperations[d].setM4(a);return d},"~S,JU.M4");c.determineSpaceGroupN=e(c,"determineSpaceGroupN",function(b){return JS.SpaceGroup.determineSpaceGroup(b,0,0,0,0,0,0,-1)},"~S");c.determineSpaceGroupNS=e(c,"determineSpaceGroupNS",function(b,a){return JS.SpaceGroup.determineSpaceGroup(b,0,0,0,0,0,0,a.index)},"~S,JS.SpaceGroup");c.determineSpaceGroupNA=e(c,"determineSpaceGroupNA",
function(b,a){return null==a?JS.SpaceGroup.determineSpaceGroup(b,0,0,0,0,0,0,-1):JS.SpaceGroup.determineSpaceGroup(b,a[0],a[1],a[2],a[3],a[4],a[5],-1)},"~S,~A");c.determineSpaceGroup=e(c,"determineSpaceGroup",function(b,a,d,c,e,g,h,l){b=JS.SpaceGroup.determineSpaceGroupIndex(b,a,d,c,e,g,h,l);return 0<=b?JS.SpaceGroup.SG[b]:null},"~S,~N,~N,~N,~N,~N,~N,~N");c.isXYZList=e(c,"isXYZList",function(b){return null!=b&&0<=b.indexOf(",")&&0>b.indexOf("(")&&0>b.indexOf(":")},"~S");c.determineSpaceGroupIndex=
e(c,"determineSpaceGroupIndex",function(b,a,d,c,e,g,h,l){if(JS.SpaceGroup.isXYZList(b))return-1;0>l&&(l=JS.SpaceGroup.SG.length);if(0<JS.SpaceGroup.getExplicitSpecialGroupType(b))return-1;b=b.trim().toLowerCase();b.startsWith("bilbao:")&&(b=b.substring(7));var j;j=b.indexOf("hall:");0<j&&(b=b.substring(j));var m=0<=b.indexOf(",")?6:b.startsWith("ita/")?4:b.startsWith("hall:")?5:b.startsWith("hm:")?3:0;switch(m){case 6:b=JS.SpaceGroup.canonicalizeCleg(b);break;case 3:case 5:case 4:b=b.substring(m);
break;case 0:b.contains("[")?(m=5,b=b.substring(0,b.indexOf("[")).trim()):0<b.indexOf(".")&&(m=4)}switch(m){case 6:for(j=0;j<l;j++)if(b.equals(JS.SpaceGroup.SG[j].canonicalCLEG))return j;return-1;case 5:for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].hallSymbol.equalsIgnoreCase(b))return j;return-1}var s=b,p=!1;4!=m&&(b=b.$replace("_"," "),2<=b.length&&(j=0==b.indexOf("-")?2:1,j<b.length&&" "!=b.charAt(j)&&(b=b.substring(0,j)+" "+b.substring(j)),b=JS.SpaceGroup.toCap(b,2)));var v="";if(0<(j=b.indexOf(":")))v=
b.substring(j+1),b=b.substring(0,j).trim(),p=0<v.length;4!=m&&(5!=m&&!p&&JU.PT.isOneOf(b,JS.SpaceGroup.ambiguousHMNames))&&(v="?",p=!0);var q=JU.PT.replaceAllCharacters(b," ()",""),n;switch(m){case 4:if(p)for(j=0;j<l;j++){if(s.equalsIgnoreCase(JS.SpaceGroup.SG[j].itaIndex))return j}else for(j=0;j<l;j++)if(b.equalsIgnoreCase(JS.SpaceGroup.SG[j].itaIndex))return j;break;case 6:case 5:break;default:case 3:if(3!=m)for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].jmolId.equalsIgnoreCase(s))return j;for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].hmSymbolFull.equalsIgnoreCase(s))return j;
for(j=0;j<l;j++)if(null!=(n=JS.SpaceGroup.SG[j]).hmSymbolAlternative&&n.hmSymbolAlternative.equalsIgnoreCase(s))return j;if(p){for(j=0;j<l;j++)if((n=JS.SpaceGroup.SG[j]).hmSymbolAbbr.equalsIgnoreCase(q)&&(n.hmSymbolExt.equalsIgnoreCase(v)||n.jmolIdExt.equalsIgnoreCase(v)))return j;for(j=0;j<l;j++)if((n=JS.SpaceGroup.SG[j]).hmSymbolAbbrShort.equalsIgnoreCase(q)&&(n.hmSymbolExt.equalsIgnoreCase(v)||n.jmolIdExt.equalsIgnoreCase(v)))return j}b=JS.SpaceGroup.determineUniqueAxis(a,d,c,e,g,h);if(!p||"?"==
v.charAt(0))for(j=0;j<l;j++)if((n=JS.SpaceGroup.SG[j]).hmSymbolAbbr.equalsIgnoreCase(q)||n.hmSymbolAbbrShort.equalsIgnoreCase(q)||n.itaNumber.equals(q))switch(n.ambiguityType.charCodeAt(0)){case 0:case 45:return j;case 97:if(n.uniqueAxis==b||"\x00"==b)return j;break;case 111:if(0==v.length){if(n.hmSymbolExt.equals("2"))return j}else if(n.hmSymbolExt.equalsIgnoreCase(v))return j;break;case 116:if(0==v.length){if("h"==n.axisChoice)return j}else if((n.axisChoice+"").equalsIgnoreCase(v))return j}}if(0==
v.length)for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].itaNumber.equals(s))return j;return-1},"~S,~N,~N,~N,~N,~N,~N,~N");e(c,"setJmolCode",function(b){this.jmolId=b;b=JU.PT.split(b,":");this.itaNumber=b[0];this.jmolIdExt=1==b.length?"":b[1];this.ambiguityType="\x00";0<this.jmolIdExt.length&&(b=this.jmolIdExt.charAt(0),this.jmolIdExt.equals("h")||this.jmolIdExt.equals("r")?(this.ambiguityType="t",this.axisChoice=this.jmolIdExt.charAt(0)):"1"==b||"2"==b?this.ambiguityType="o":2>=this.jmolIdExt.length||3==
this.jmolIdExt.length&&"-"==b?(this.ambiguityType="a",this.uniqueAxis=this.jmolIdExt.charAt("-"==b?1:0)):this.jmolIdExt.contains("-")&&(this.ambiguityType="-"))},"~S");c.determineUniqueAxis=e(c,"determineUniqueAxis",function(b,a,d,c,e,g){return b==a?a==d?"\x00":"c":a==d?"a":d==b?"b":c==e?e==g?"\x00":"c":e==g?"a":g==c?"b":"\x00"},"~N,~N,~N,~N,~N,~N");e(c,"buildSelf",function(b){b=JU.PT.split(b.toLowerCase(),";");this.jmolId=b[0].trim();this.setJmolCode(this.jmolId);var a=this.jmolId.endsWith("*");
a&&(this.jmolId=this.jmolId.substring(0,this.jmolId.length-1));this.itaIndex=b[1].$replace("|",";");var d=this.itaIndex.indexOf(".");0>d?(this.setNo=2147483647,d=this.itaIndex.indexOf(":")):this.setNo=Integer.parseInt(this.itaIndex.substring(d+1));this.itaNo=0>d?0:Integer.parseInt(this.itaIndex.substring(0,d));d=b[2];this.itaTransform=0==d.length||d.equals("--")?"a,b,c":d.equals("r")?"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":JU.PT.rep(d,"ab","a-b,a+b,c").$replace("|",";");this.setClegId(this.itaNumber+
":"+this.itaTransform);0<b[3].length&&(this.nHallOperators=Integer.$valueOf(b[3]),d=JS.SpaceGroup.htByOpCount.get(this.nHallOperators),null==d&&JS.SpaceGroup.htByOpCount.put(this.nHallOperators,d=new JU.Lst),d.addLast(this));this.crystalClass=JS.SpaceGroup.toCap(JU.PT.split(b[4],"^")[0],1);d=b[5];d.endsWith("*")&&(d=d.substring(0,d.length-1));this.setHMSymbol(d);"xyz".equals(b[6])?(b=this.hmSymbol,this.hallSymbol=""+this.latticeType+"?"):(this.hallSymbol=b[6],1<this.hallSymbol.length&&(this.hallSymbol=
JS.SpaceGroup.toCap(this.hallSymbol,2)),a&&(this.hallSymbolAlt=this.hallSymbol,this.hallSymbol=JS.SpaceGroup.lastHallSymbol),b=this.itaNumber+this.hallSymbol,"0"!=this.itaNumber.charAt(0)&&b.equals(JS.SpaceGroup.lastInfo)&&(JS.SpaceGroup.ambiguousHMNames+=this.hmSymbol+";"));JS.SpaceGroup.lastHallSymbol=this.hallSymbol;JS.SpaceGroup.lastInfo=b;this.name="HM:"+this.hmSymbolFull+" "+(null==this.hallSymbol||"?"===this.hallSymbol?"["+this.hallSymbol+"]":"")+" #"+this.itaIndex},"~S");e(c,"setHMSymbol",
function(b){var a=b.indexOf("#");0<=a&&(b=b.substring(0,a).trim());this.hmSymbolFull=0==this.groupType?JS.SpaceGroup.toCap(b,1):b.toLowerCase();this.latticeType=Character.toUpperCase(this.hmSymbolFull.charAt(0));b=JU.PT.split(this.hmSymbolFull,":");this.hmSymbol=b[0];this.hmSymbolExt=1==b.length?"":b[1];a=this.hmSymbol.indexOf(" -3");1<=a&&0<="admn".indexOf(this.hmSymbol.charAt(a-1))&&(this.hmSymbolAlternative=(this.hmSymbol.substring(0,a)+" 3"+this.hmSymbol.substring(a+3)).toLowerCase());this.hmSymbolAbbr=
JU.PT.rep(this.hmSymbol," ","");this.hmSymbolAbbrShort=3<this.hmSymbol.length&&"3"!=this.hmSymbol.charAt(2)&&"3"!=this.hmSymbol.charAt(3)?JU.PT.rep(this.hmSymbol," 1",""):this.hmSymbolAbbr;this.hmSymbolAbbrShort=JU.PT.rep(this.hmSymbolAbbrShort," ","");this.strName=null},"~S");c.toCap=e(c,"toCap",function(b,a){return b.substring(0,a).toUpperCase()+b.substring(a)},"~S,~N");e(c,"toString",function(){return this.asString()});e(c,"asString",function(){return null==this.strName?this.strName=null==this.jmolId||
this.jmolId.equals("0")?this.name:this.jmolId+" HM:"+this.hmSymbolFull+(null==this.getClegId()?"":" #"+this.getClegId()):this.strName});e(c,"getDisplayName",function(){if(null==this.displayName){var b=null;null==this.jmolId||"--".equals(this.hallSymbol)?(b="",null!=this.hmSymbolFull&&!"--".equals(this.hmSymbol)&&(b=this.hmSymbolFull)):this.jmolId.equals("0")||(b=this.hmSymbolFull);null==b?b="["+this.hallSymbol+"]":null!=this.getClegId()&&(b+=" #"+this.getClegId());b.endsWith("2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c")&&
(b=JU.PT.rep(b,"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c","r"));0<=b.indexOf("-- [--]")&&(b="");b.endsWith(":a,b,c")&&(b=b.substring(0,b.length-6));this.displayName=b}return this.displayName});c.getSpaceGroups=e(c,"getSpaceGroups",function(){if(null==JS.SpaceGroup.SG){var b=JS.SpaceGroup.STR_SG.length;JS.SpaceGroup.nameToGroup=new java.util.Hashtable;for(var a=Array(b),d=0;d<b;d++)a[d]=new JS.SpaceGroup(d,JS.SpaceGroup.STR_SG[d],!0),JS.SpaceGroup.nameToGroup.put(a[d].jmolId,a[d]);System.out.println("SpaceGroup - "+
b+" settings generated");JS.SpaceGroup.STR_SG=null;JS.SpaceGroup.SG=a}return JS.SpaceGroup.SG});e(c,"addMagLatticeVectors",function(b){if(0<=this.latticeOp||0==b.size())return!1;for(var a=this.latticeOp=this.operationCount,d=b.get(0).length==this.modDim+4,c=-2,e=0;e<b.size();e++){var g=b.get(e);d&&(c=x(g[this.modDim+3]),g=JU.AU.arrayCopyF(g,this.modDim+3));if(g.length>this.modDim+3)return!1;for(var h=0;h<a;h++){var l=new JS.SymmetryOperation(null,0,!0);l.modDim=this.modDim;var j=this.symmetryOperations[h];
l.divisor=j.divisor;l.linearRotTrans=JU.AU.arrayCopyF(j.linearRotTrans,-1);l.setFromMatrix(g,!1);-2!=c&&l.setTimeReversal(j.timeReversal*c);l.xyzOriginal=l.xyz;this.addOp(l,l.xyz,!0)}}return!0},"JU.Lst");e(c,"addSpinLattice",function(b){if(0<=this.latticeOp||0==b.size())return!1;this.latticeOp=this.operationCount;for(var a=0;a<b.size();a++){var d=b.get(a);if(!d.equals("x,y,z(u,v,w)")){var c=this.operationCount,e=new JS.SymmetryOperation(null,0,!0);e.setMatrixFromXYZ(d,0,!1);e.doFinalize();for(d=0;d<
c;d++){var g=this.symmetryOperations[d];g.doFinalize();var h=new JS.SymmetryOperation(g,0,!0);h.doFinalize();h.mul(e);var l;null==g.spinU?(l=new JU.M4,l.setIdentity()):l=JU.M4.newM4(g.spinU);null!=e.spinU&&l.mul(e.spinU);h.modDim=this.modDim;h.divisor=g.divisor;g=JS.SymmetryOperation.getXYZFromMatrix(h,!1,!0,!1)+JS.SymmetryOperation.getSpecialString(l,"u","v","w");h.setMatrixFromXYZ(g,this.modDim,!1);this.addOperation(g,c+d,!1);this.symmetryOperations[c+d].doFinalize()}}}return!0},"JU.Lst");e(c,"getSiteMultiplicity",
function(b,a){for(var d=this.finalOperations.length,c=new JU.Lst,e=d;0<=--e;){var g=JU.P3.newP(b);this.finalOperations[e].rotTrans(g);a.unitize(g);for(var h=c.size();0<=--h;){var l=c.get(h);if(1.96E-6>g.distanceSquared(l)){g=null;break}}null!=g&&c.addLast(g)}return C(d/c.size())},"JU.P3,JS.UnitCell");e(c,"setName",function(b){this.name=b;null!=b&&b.startsWith("HM:")&&this.setHMSymbol(b.substring(3));this.strName=this.displayName=null},"~S");c.getSpaceGroupFromJmolClegOrITA=e(c,"getSpaceGroupFromJmolClegOrITA",
function(b,a){var d=JS.SpaceGroup.getExplicitSpecialGroupType(a);if(0<d)return JS.Symmetry.getSGFactory().getSpecialGroup(null,b,a,d);var d=a.indexOf(":"),c=a.indexOf(","),e=a.indexOf("."),g=0<d&&c>d?d:e,c=JS.SpaceGroup.SG.length;if(0<g&&g==d)for(d=0;d<c;d++){if(a.equals(JS.SpaceGroup.SG[d].clegId))return JS.SpaceGroup.SG[d]}else if(0<d)for(d=0;d<c;d++){if(a.equals(JS.SpaceGroup.SG[d].jmolId))return JS.SpaceGroup.SG[d]}else if(0<e)for(d=0;d<c;d++){if(a.equals(JS.SpaceGroup.SG[d].itaIndex))return JS.SpaceGroup.SG[d]}else for(d=
0;d<c;d++)if(a.equals(JS.SpaceGroup.SG[d].itaNumber))return JS.SpaceGroup.SG[d];return null},"JV.Viewer,~S");e(c,"checkHallOperators",function(){null!=this.nHallOperators&&this.nHallOperators.intValue()!=this.operationCount&&(null==this.hallInfo||this.hallInfo.isGenerated()?this.generateMatrixOperators(this.hallInfo):(this.init(!1),this.doNormalize=!0,JS.SpaceGroup.transformSpaceGroup(0,this,JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(null,this.itaNumber),null,this.itaTransform,null),this.hallInfo=
null))});e(c,"getOpsCtr",function(b){var a=JS.SpaceGroup.getNull(!0,!0,!1);JS.SpaceGroup.transformSpaceGroup(this.groupType,a,this,null,"!"+b,null);a.setFinalOperations();var d=JS.SpaceGroup.getNull(!0,!1,!1);JS.SpaceGroup.transformSpaceGroup(this.groupType,d,a,null,b,null);d.setFinalOperations();return d.finalOperations},"~S");c.getSpaceGroupFromIndex=e(c,"getSpaceGroupFromIndex",function(b){return null!=JS.SpaceGroup.SG&&0<=b&&b<JS.SpaceGroup.SG.length?JS.SpaceGroup.SG[b]:null},"~N");e(c,"setITATableNames",
function(b,a,d,c){this.itaNumber=a;this.itaIndex=null!=c?a+":"+c:0<=d.indexOf(".")?d:a+"."+d;this.itaTransform=c;this.setClegId(this.specialPrefix+a+":"+c);this.strName=this.displayName=null;this.jmolId=b;null==b?(this.name=this.clegId,this.info=this.dumpInfoObj()):this.setJmolCode(b)},"~S,~S,~S,~S");c.transformCoords=e(c,"transformCoords",function(b,a,d,c,e,g){null==g&&(g=new JU.Lst);for(var h=0,l=b.size();h<l;h++){var j=JS.SymmetryOperation.transformStr(b.get(h),null,a,c,e,null,d,!0,!0);g.contains(j)||
g.addLast(j)}return g},"JU.Lst,JU.M4,JU.P3,JU.M4,~A,JU.Lst");c.getTransformRange=e(c,"getTransformRange",function(b){for(var a=F(2,3,0),d=F(4,0),c=0;3>c;c++){b.getRow(c,d);for(var e=0;3>e;e++){var g=d[e];0>g?a[0][c]+=-d[e]:0<g&&(a[1][c]+=d[e])}}b=!0;for(d=c=0;2>c;c++,d++)for(e=0;3>e;e++)g=C(Math.ceil(a[c][e])),g>d&&(b=!1),a[c][e]=0==c?-g:g;return b?null:a},"JU.M4");c.getTransformedCentering=e(c,"getTransformedCentering",function(b,a){var d=JU.M4.newM4(b);d.invert();var c=a.size(),e=new JU.P3,g=new JU.P3,
h=JS.SpaceGroup.getTransformRange(b);if(null!=h)for(var l=JS.SpaceGroup.addCentering(d,h,e,g,a,0);0<=--c&&3>l;)JS.SymmetryOperation.toPoint(a.remove(c),e),l=JS.SpaceGroup.addCentering(d,h,e,g,a,l);return d},"JU.M4,JU.Lst");c.addCentering=e(c,"addCentering",function(b,a,d,c,e,g){for(var h=x(a[0][0]);h<=a[1][0];h++)for(var l=x(a[0][1]);l<=a[1][1];l++)for(var j=x(a[0][2]);j<=a[1][2];j++)if(c.set(h,l,j),c.add(d),b.rotTrans(c),0!=c.length()%1){c.x%=1;c.y%=1;c.z%=1;var m=JS.SymmetryOperation.norm3(c);if(!m.equals("0,0,0")&&
!e.contains(m)&&(e.addLast(m),3==++g))return 3}return g},"JU.M4,~A,JU.P3,JU.P3,JU.Lst,~N");c.fillMoreData=e(c,"fillMoreData",function(b,a,d,c,e){var g=d.indexOf(":"),g=0>g?"a,b,c":d.substring(g+1),h=JS.UnitCell.toTrm(g,null),l=e.get("gp"),j=e.get("wpos"),m=j.get("cent");e=new JU.Lst;null!=m&&e.addAll(m);for(var s=e.size(),p=JS.SpaceGroup.getTransformedCentering(h,e),m=e.size(),n=j.get("pos"),j=new JU.Lst,q=new JU.M4,u=F(16,0),t=(m+1)/(s+1),s=0,w=n.size();s<w;s++){var pa=n.get(s),y=new java.util.Hashtable;
y.putAll(pa);var B=pa.get("coord");null!=B&&(B=JS.SpaceGroup.transformCoords(B,p,null,q,u,null),y.put("coord",B));pa=pa.get("mult").intValue();y.put("mult",Integer.$valueOf(x(pa*t)));j.addLast(y)}n=new JU.Lst;JS.SpaceGroup.transformCoords(l,p,null,q,u,n);if(0<m)for(s=0;s<m;s++)y=new JU.P3,JS.SpaceGroup.transformCoords(l,p,JS.SymmetryOperation.toPoint(e.get(s),y),q,u,n);null==a?(a=new java.util.Hashtable,a.put("sg",Integer.$valueOf(c)),a.put("trm",g),a.put("clegId",c+":"+g),a.put("det",Float.$valueOf(h.determinant3()))):
a.remove("more");c=new java.util.Hashtable;0<m&&c.put("cent",e);c.put("pos",j);a.put("wpos",c);n=new JU.Lst;b=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(b,d);b=JS.SpaceGroup.transformSpaceGroup(0,null,b,l,g,new JU.M4);s=0;for(w=b.getOperationCount();s<w;s++)n.addLast(b.getOperation(s).xyz);a.put("gp",n);return a},"JV.Viewer,java.util.Map,~S,~N,java.util.Map");c.transformSpaceGroup=e(c,"transformSpaceGroup",function(b,a,d,c,e,g){if(null==c){d.setFinalOperationsSafely();c=new JU.Lst;for(var h=0,l=
d.getOperationCount();h<l;h++)c.addLast(d.getXyz(h,!1))}c=JS.SpaceGroup.addTransformXYZList(a,c,e,g,null==a||a.doNormalize);if(null==a)return JS.SpaceGroup.createITASpaceGroup(b,c,d);null==e?a.setFrom(d,!0):a.setITATableNames(a.jmolId,a.itaNumber,"1",e);return a},"~N,JS.SpaceGroup,JS.SpaceGroup,JU.Lst,~S,JU.M4");c.createITASpaceGroup=e(c,"createITASpaceGroup",function(b,a,d){b=0==b?new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0):JS.Symmetry.getSGFactory().createSpecialGroup(d,null,null,b);b.doNormalize=
!1;for(var c=0,e=a.size();c<e;c++){var g=new JS.SymmetryOperation(null,c,!1),h=a.get(c);g.setMatrixFromXYZ(h,0,!1);b.addOp(g,h,!1)}null!=d&&b.setFrom(d,!0);b.setFinalOperationsSafely();return b},"~N,JU.Lst,JS.SpaceGroup");c.addTransformXYZList=e(c,"addTransformXYZList",function(b,a,d,c,e){var g=null,h=null,l=null,j=null,m=a.size();null!=d&&(d.equals("r")&&(d="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"),c=JS.UnitCell.toTrm(d,c),g=JU.M4.newM4(c),g.invert(),h=Math.round(c.determinant3()),1<h&&(j=
JS.SpaceGroup.getTransformRange(c),m*=h),l=F(16,0),h=new JU.M4);d=JS.SpaceGroup.addTransformedOperations(b,a,c,g,h,l,null==b?new JU.Lst:null,null,e);if(null!=j)for(var s=new JU.P3,p=x(j[0][2]);p<=j[1][2];p++)for(var n=x(j[0][1]);n<=j[1][1];n++)for(var q=x(j[0][0]);q<j[1][0];q++)if(!(0==q&&0==n&&0==p)&&(s.set(q,n,p),null!=JS.SpaceGroup.addTransformedOperations(b,a,c,g,h,l,d,s,e)&&d.size()==m))return d;return null==b?d:null},"JS.SpaceGroup,JU.Lst,~S,JU.M4,~B");c.addTransformedOperations=e(c,"addTransformedOperations",
function(b,a,d,c,e,g,h,l,j){null!=b&&(b.latticeOp=0);for(var m=0,s=a.size();m<s;m++){var p=a.get(m);if(null!=d&&(0<m||null!=l))p=JS.SymmetryOperation.transformStr(p,d,c,e,g,l,null,j,!1);null!=b?b.addOperation(p,0,!1):h.contains(p)||h.addLast(p)}return h},"JS.SpaceGroup,JU.Lst,JU.M4,JU.M4,JU.M4,~A,JU.Lst,JU.P3,~B");n(c,"getMatrixOperation",function(b){return this.symmetryOperations[b]},"~N");n(c,"getMatrixOperationCount",function(){return this.operationCount});n(c,"addHallOperationCheckDuplicates",
function(b){var a=JS.SymmetryOperation.getXYZFromMatrix(b,!0,!0,!1);if(0<=this.checkXYZlist(a))return!1;this.addSymmetrySM("!nohalf!"+a,b);return!0},"JU.M4");c.canonicalizeCleg=e(c,"canonicalizeCleg",function(b){0>b.indexOf(":")?b+=":a,b,c;0,0,0":0<b.indexOf(",")&&0>b.indexOf(";")&&(b+=";0,0,0");return b},"~S");c.convertWyckoffHMCleg=e(c,"convertWyckoffHMCleg",function(b,a){if(null==JS.SpaceGroup.HMtoCleg){JS.SpaceGroup.HMtoCleg=new java.util.Hashtable;JS.SpaceGroup.ClegtoHM=new java.util.Hashtable;
for(var d=JS.SpaceGroup.moreSettings.length;0<=--d;){var c=JS.SpaceGroup.moreSettings[d],e=JS.SpaceGroup.moreSettings[--d],e=JU.PT.rep(e," ","");JS.SpaceGroup.ClegtoHM.put(c,e);JS.SpaceGroup.HMtoCleg.put(e,c)}}return null!=b?JS.SpaceGroup.HMtoCleg.get(JU.PT.rep(b," ","")):JS.SpaceGroup.ClegtoHM.get(a)},"~S,~S");e(c,"getHMName",function(){return this.hmSymbol});e(c,"getHMNameShort",function(){System.out.println(this.clegId+"\t"+this.hmSymbolFull+"\t"+this.hmSymbolAbbr+"\t"+this.hmSymbolAbbrShort);
return null==this.hmSymbolAbbrShort?this.hmSymbol:this.hmSymbolAbbrShort});c.getITNo=e(c,"getITNo",function(b,a){0>=a&&(a=b.length);for(var d=a;0<=--d;)if(!JU.PT.isDigit(b.charAt(d)))return-2147483648;return Integer.parseInt(b.substring(0,a))},"~S,~N");c.isInRange=e(c,"isInRange",function(b,a,d,c){var e=JS.SpaceGroup.getMax(a);switch(a){case 0:if(c)return a=x(b),c=JS.SpaceGroup.getImplicitSpecialGroupType(a),300==c&&(d=!1),-1!=c&&(d||a==b);break;case 300:d=!1}return 1<=b&&(d?b<e+1:b<=e)},"~N,~N,~B,~B");
c.getMax=e(c,"getMax",function(b){switch(b){case 0:return 230;case 300:return 17;case 400:return 80;case 500:return 75;case 600:return 7;default:return 0}},"~N");c.getGroupTypePrefix=e(c,"getGroupTypePrefix",function(b){switch(b-b%100){case 300:return"p/";case 400:return"l/";case 500:return"r/";case 600:return"f/"}return""},"~N");c.getExplicitSpecialGroupType=e(c,"getExplicitSpecialGroupType",function(b){if(2>b.length||"/"!=b.charAt(1))return 0;switch(b.substring(0,2)){case "p/":return 300;case "l/":return 400;
case "r/":return 500;case "f/":return 600;default:return-1}},"~S");c.getSpecialGroupName=e(c,"getSpecialGroupName",function(b){switch(b){case 0:return"";case 300:return"plane";case 400:return"layer";case 500:return"rod";case 600:return"frieze";default:return null}},"~N");c.getImplicitSpecialGroupType=e(c,"getImplicitSpecialGroupType",function(b){return 1>b?-1:230>=b?0:300<b&&317>=b?300:400<b&&480>=b?400:500<b&&575>=b?500:600<b&&607>=b?600:-1},"~N");c.hmMatches=e(c,"hmMatches",function(b,a,d){"/"==
b.charAt(1)&&(b=b.substring(2));if(b.charAt(0)!=a.charAt(0))return!1;0>a.indexOf(" ")&&(b=JU.PT.rep(b," ",""));if(b.equals(a))return!0;if(300==d){d=b.length;if(d<=a.length)return!1;var c=a.charAt(1);switch(a.length){case 2:return 4==d&&"1"==b.charAt(1)&&c==b.charAt(2);case 3:return"2"==b.charAt(1)?b.charAt(2)==c&&b.charAt(3)==a.charAt(2):"m"==b.charAt(d-1)&&b.startsWith(a)}}return!1},"~S,~S,~N");e(c,"createCompatibleUnitCell",function(b,a,d){var c=null==this.itaNumber?0:JU.PT.parseInt(this.itaNumber),
e=!1,g=!1,h=!1,l=!1,g=(e=0!=c&&this.isHexagonalSG(c,null))&&this.isHexagonalSG(-1,b),l=(h=0!=c&&"r"==this.axisChoice)&&JU.SimpleUnitCell.isRhombohedral(b);if(e&&g||h&&l)d=!0;var j=new JS.SpaceGroup.ParamCheck(b,d,!0);if(c>(d?2:0))if(e){if(!(h?l:g))"r"==this.axisChoice?(j.c=j.b=j.a,!d&&(85<j.alpha&&95>j.alpha)&&(j.alpha=80),j.gamma=j.beta=j.alpha):(j.b=j.a,j.alpha=j.beta=90,j.gamma=120)}else if(195<=c)j.c=j.b=j.a,j.alpha=j.beta=j.gamma=90;else if(75<=c)j.b=j.a,j.acsame&&!d&&(j.c=1.5*j.a),j.alpha=j.beta=
j.gamma=90;else if(16<=c)j.alpha=j.beta=j.gamma=90;else if(3<=c)switch(this.uniqueAxis.charCodeAt(0)){case 97:j.beta=j.gamma=90;break;default:case 98:j.alpha=j.gamma=90;break;case 99:j.alpha=j.beta=90}return j.checkNew(b,null==a?b:a)},"~A,~A,~B");e(c,"isHexagonalSG",function(b,a){return 1>b?JU.SimpleUnitCell.isHexagonal(a):143<=b&&194>=b},"~N,~A");var a=O(function(){this.gamma=this.beta=this.alpha=this.c=this.b=this.a=0;this.acsame=!1;P(this,arguments)},JS.SpaceGroup,"ParamCheck",null);V(a,function(b,
a,d){this.a=b[0];this.b=b[1];this.c=b[2];this.alpha=b[3];this.beta=b[4];this.gamma=b[5];a||this.checkParams(d)},"~A,~B,~B");e(a,"checkParams",function(b){if(0<this.b&&this.a>this.b){var a=this.a;this.a=this.b;this.b=a}b&&(0<this.c&&JU.SimpleUnitCell.approx0(this.b-this.c))&&(this.c=1.5*this.b);JU.SimpleUnitCell.approx0(this.a-this.b)&&(this.b=1.2*this.a);JU.SimpleUnitCell.approx0(this.gamma-90)&&(this.gamma=130);if(b){if(this.acsame=0<this.c&&JU.SimpleUnitCell.approx0(this.c-this.a))this.c=1.1*this.a;
JU.SimpleUnitCell.approx0(this.alpha-90)&&(this.alpha=80);JU.SimpleUnitCell.approx0(this.beta-90)&&(this.beta=100);this.alpha>this.beta&&(a=this.alpha,this.alpha=this.beta,this.beta=a);b=JU.SimpleUnitCell.approx0(this.alpha-this.beta);var a=JU.SimpleUnitCell.approx0(this.beta-this.gamma),d=JU.SimpleUnitCell.approx0(this.gamma-this.alpha);b&&(this.beta=1.2*this.alpha);a&&(this.gamma=1.3*this.beta);d&&(this.gamma=1.4*this.alpha)}},"~B");e(a,"checkNew",function(b,a){var d=!(this.a==b[0]&&this.b==b[1]&&
this.c==b[2]&&this.alpha==b[3]&&this.beta==b[4]&&this.gamma==b[5]);a[0]=this.a;a[1]=this.b;a[2]=this.c;a[3]=this.alpha;a[4]=this.beta;a[5]=this.gamma;return d},"~A,~A");c.canonicalSeitzList=null;c.sgIndex=-1;c.lastInfo=null;c.ambiguousHMNames="";c.lastHallSymbol="";c.SG=null;c.htByOpCount=new java.util.Hashtable;c.nameToGroup=null;c.nSG=0;c.STR_SG=H(-1,'1;1.1;;1;c1^1;p 1;p 1{2;2.1;;2;ci^1;p -1;-p 1{3:b;3.1;;2;c2^1;p 1 2 1;p 2y{3:b;3.1;;2;c2^1;p 2;p 2y{3:c;3.2;c,a,b;2;c2^1;p 1 1 2;p 2{3:a;3.3;b,c,a;2;c2^1;p 2 1 1;p 2x{4:b;4.1;;2;c2^2;p 1 21 1;p 2yb{4:b;4.1;;2;c2^2;p 21;p 2yb{4:c;4.2;c,a,b;2;c2^2;p 1 1 21;p 2c{4:a;4.3;b,c,a;2;c2^2;p 21 1 1;p 2xa{5:b1;5.1;;4;c2^3;c 1 2 1;c 2y{5:b1;5.1;;4;c2^3;c 2;c 2y{5:b2;5.2;-a-c,b,a;4;c2^3;a 1 2 1;a 2y{5:b3;5.3;c,b,-a-c;4;c2^3;i 1 2 1;i 2y{5:c1;5.4;c,a,b;4;c2^3;a 1 1 2;a 2{5:c2;5.5;a,-a-c,b;4;c2^3;b 1 1 2;b 2{5:c3;5.6;-a-c,c,b;4;c2^3;i 1 1 2;i 2{5:a1;5.7;b,c,a;4;c2^3;b 2 1 1;b 2x{5:a2;5.8;b,a,-a-c;4;c2^3;c 2 1 1;c 2x{5:a3;5.9;b,-a-c,c;4;c2^3;i 2 1 1;i 2x{6:b;6.1;;2;cs^1;p 1 m 1;p -2y{6:b;6.1;;2;cs^1;p m;p -2y{6:c;6.2;c,a,b;2;cs^1;p 1 1 m;p -2{6:a;6.3;b,c,a;2;cs^1;p m 1 1;p -2x{7:b1;7.1;;2;cs^2;p 1 c 1;p -2yc{7:b1;7.1;;2;cs^2;p c;p -2yc{7:b2;7.2;-a-c,b,a;2;cs^2;p 1 n 1;p -2yac{7:b2;7.2;-a-c,b,a;2;cs^2;p n;p -2yac{7:b3;7.3;c,b,-a-c;2;cs^2;p 1 a 1;p -2ya{7:b3;7.3;c,b,-a-c;2;cs^2;p a;p -2ya{7:c1;7.4;c,a,b;2;cs^2;p 1 1 a;p -2a{7:c2;7.5;a,-a-c,b;2;cs^2;p 1 1 n;p -2ab{7:c3;7.6;-a-c,c,b;2;cs^2;p 1 1 b;p -2b{7:a1;7.7;b,c,a;2;cs^2;p b 1 1;p -2xb{7:a2;7.8;b,a,-a-c;2;cs^2;p n 1 1;p -2xbc{7:a3;7.9;b,-a-c,c;2;cs^2;p c 1 1;p -2xc{8:b1;8.1;;4;cs^3;c 1 m 1;c -2y{8:b1;8.1;;4;cs^3;c m;c -2y{8:b2;8.2;-a-c,b,a;4;cs^3;a 1 m 1;a -2y{8:b3;8.3;c,b,-a-c;4;cs^3;i 1 m 1;i -2y{8:b3;8.3;c,b,-a-c;4;cs^3;i m;i -2y{8:c1;8.4;c,a,b;4;cs^3;a 1 1 m;a -2{8:c2;8.5;a,-a-c,b;4;cs^3;b 1 1 m;b -2{8:c3;8.6;-a-c,c,b;4;cs^3;i 1 1 m;i -2{8:a1;8.7;b,c,a;4;cs^3;b m 1 1;b -2x{8:a2;8.8;b,a,-a-c;4;cs^3;c m 1 1;c -2x{8:a3;8.9;b,-a-c,c;4;cs^3;i m 1 1;i -2x{9:b1;9.1;;4;cs^4;c 1 c 1;c 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c.HMtoCleg=null;c.ClegtoHM=null;JS.SpaceGroup.getSpaceGroups()});ca("JS");ja(["JU.P3"],"JS.SpaceGroupFinder","java.util.Arrays JU.BS $.Lst $.M4 $.Measure $.PT $.V3 JS.SpaceGroup $.Symmetry $.SymmetryOperation JU.BSUtil JV.FileManager".split(" "),function(){var c=O(function(){this.atoms=this.cartesians=this.sg=this.uc=this.vwr=null;this.nAtoms=0;this.unitCellParams=this.xyzList=null;this.slop=0;this.asString=this.isSupercell=this.$checkSupercell=this.isUnknown=this.isAssign=this.isCalcOnly=!1;this.pTemp=
this.scaling=this.oabc=this.origin=this.targets=this.bsAtoms=this.bsPoints0=null;this.groupType=this.isg=0;this.isSpecialGroup=!1;this.zero=this.vectorBC=this.vectorBA=null;this.isQuery=!1;Fa("JS.SpaceGroupFinder.SGAtom")||JS.SpaceGroupFinder.$SpaceGroupFinder$SGAtom$();P(this,arguments)},JS,"SpaceGroupFinder",null);ka(c,function(){this.pTemp=new JU.P3});V(c,function(){});e(c,"findSpaceGroup",function(a,b,f,d,c,e,g,h){this.vwr=a;this.xyzList=f;this.unitCellParams=d;this.origin=c;this.oabc=e;this.uc=
g;this.isCalcOnly=0!=(h&16);this.isAssign=0!=(h&2);this.$checkSupercell=0!=(h&8);this.asString=0!=(h&1);f=0!=(h&4);e=this.uc.getPrecision();this.slop=!Float.isNaN(e)?e:null!=d&&26<d.length?d[26]:1E-4;Float.isNaN(this.slop)&&(this.slop=1E-6);this.cartesians=a.ms.at;this.bsPoints0=new JU.BS;if(null==this.xyzList||this.isAssign)this.bsAtoms=JU.BSUtil.copy(b),this.nAtoms=this.bsAtoms.cardinality();this.isQuery=null!=this.xyzList&&0<=this.xyzList.indexOf("&");this.targets=JU.BS.newN(this.nAtoms);this.scaling=
JU.P3.new3(1,1,1);this.isUnknown=!0;a=null!=this.xyzList&&this.xyzList.toUpperCase().startsWith("ITA/");e=null!=this.xyzList&&!a&&(this.xyzList.startsWith("[")||this.xyzList.startsWith("Hall:"));if(this.isAssign&&e||!e&&(a||(a=this.checkWyckoffHM()))){this.isUnknown=!1;this.xyzList=a?JU.PT.rep(this.xyzList.substring(4)," ",""):this.xyzList.startsWith("Hall:")?this.xyzList.substring(5):JU.PT.replaceAllCharacters(this.xyzList,"[]","");this.sg=this.setITA(e);if(null==this.sg)return null;this.sg.getName()}else if(null!=
this.oabc||e){if(a=this.xyzList,null!=a&&(this.sg=JS.SpaceGroup.createSpaceGroupN(a,e)),this.isUnknown=null==this.sg,e&&!this.isUnknown)return this.sg.dumpInfoObj()}else if(!this.isQuery&&JS.SpaceGroup.isXYZList(this.xyzList)&&(this.sg=JS.SpaceGroup.findSpaceGroupFromXYZ(this.xyzList),null!=this.sg))return this.sg.dumpInfoObj();if(f){if(null==this.sg&&null==(this.sg=JS.SpaceGroup.determineSpaceGroupNA(this.xyzList,d))&&null==(this.sg=JS.SpaceGroup.createSpaceGroupN(this.xyzList,!1)))return null;f=
new JU.BS;a=this.sg.asString();null==this.oabc?(this.uc=this.setSpaceGroupAndUnitCell(this.sg,d,null,6==d.length),this.oabc=this.uc.getUnitCellVectors(),null!=c&&this.oabc[0].setT(c)):(this.uc=this.setSpaceGroupAndUnitCell(this.sg,null,this.oabc,!1),this.uc.transformUnitCell(g.saveOrRetrieveTransformMatrix(null)))}else{d=this.findGroupByOperations();if(!this.isAssign||!Y(d,"JS.SpaceGroup"))return d;this.sg=d;a=this.sg.asString();f=JU.BSUtil.copy(this.bsAtoms);for(d=this.targets.nextSetBit(0);0<=d;d=
this.targets.nextSetBit(d+1))f.clear(this.atoms[d].index);d=f.cardinality();if(!this.isCalcOnly&&(b=a+(null==b||0==d?"":"\nbasis is "+d+" atom"+(1==d?"":"s")+": "+f),System.out.println("SpaceGroupFinder chose "+b),this.asString))return b}b=this.sg.dumpInfoObj();null!=this.uc&&!this.isCalcOnly&&System.out.println("unitcell is "+this.uc.getUnitCellInfo(!0));this.isAssign||(d=JU.BS.copy(this.bsPoints0),d.andNot(this.targets),this.dumpBasis(JS.SpaceGroupFinder.bsGroupOps[this.isg],d,this.bsPoints0));
b.put("name",a);b.put("basis",f);this.isSupercell&&b.put("supercell",this.scaling);this.oabc[1].scale(1/this.scaling.x);this.oabc[2].scale(1/this.scaling.y);this.oabc[3].scale(1/this.scaling.z);b.put("unitcell",this.oabc);this.isAssign&&b.put("sg",this.sg);return b},"JV.Viewer,JU.BS,~S,~A,JU.T3,~A,J.api.SymmetryInterface,~N");e(c,"checkWyckoffHM",function(){if(null!=this.xyzList&&0>this.xyzList.indexOf(",")){var a=JS.SpaceGroup.convertWyckoffHMCleg(this.xyzList,null);if(null!=a)return this.xyzList=
"ITA/"+a,!0}return!1});e(c,"setITA",function(a){var b=null,f=null,b=this.xyzList.lastIndexOf(":"),d=this.xyzList.indexOf(","),d=0<b&&d>b,c=null,e=0<b&&!d,g=null;d&&(g=this.uc.staticCleanTransform(this.xyzList.substring(b+1)),this.xyzList=this.xyzList.substring(0,b),c=this.xyzList+":"+g,g.equals("a,b,c")&&(g=null,d=!1));b=this.xyzList.indexOf(".");if(0<b&&(d||e))this.xyzList=this.xyzList.substring(0,b),b=-1;var h=this.xyzList;0<JS.SpaceGroup.getExplicitSpecialGroupType(h)&&(h=h.substring(2),this.isSpecialGroup=
!0,b-=2);!e&&(!a&&!d&&!(0<b)&&-2147483648!=JU.PT.parseInt(h))&&(this.xyzList+=".1");var l=null,l=this.xyzList;if(a){if(e=this.uc.getSpaceGroupInfoObj("nameToXYZList","Hall:"+this.xyzList,!1,!1),null==e)return null}else{b=d?g:l;this.sg=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(this.vwr,d?c:l);f=this.uc.getSpaceGroupJSON("ITA",l,0);if(null==f||"string"==typeof f)return null;if(e||d){a=f.get("its");if(null==a)return null;for(var f=null,c=0,j=a.size();c<j;c++)if(l=a.get(c),b.equals(l.get(d?"trm":"jmolId"))){f=
l;break}if(null==f||!this.isSpecialGroup&&!f.containsKey("jmolId")){if(e)return null;null!=f&&(g=f.get("trm"));d=!0;f=a.get(0)}else d=!1,g=null}else f.get("jmolId");e=f.get("gp")}if(null!=this.sg&&null==g)return this.sg=JS.SpaceGroup.createITASpaceGroup(this.sg.groupType,e,this.sg);this.sg=JS.SpaceGroup.transformSpaceGroup(this.groupType,null,this.sg,e,d?g:null,d?new JU.M4:null);if(null==this.sg)return null;this.sg.itaNumber.equals("0")&&(null==g?(f.get("trm"),f=f.get("hm"),this.sg.setHMSymbol(f)):
this.sg.setITATableNames(null,h,null,g),System.out.println("SpaceGroupFinder: new setting: "+this.sg.asString()));return this.sg},"~B");e(c,"findGroupByOperations",function(){var a=new JU.BS,b=new JU.BS,f=0,d=0;try{this.isUnknown?null==JS.SpaceGroupFinder.bsOpGroups&&JS.SpaceGroupFinder.loadData(this.vwr):b.set(0);if(null!=this.xyzList){if(this.isUnknown){var c=this.getGroupsWithOps();if(!this.isAssign||null==c)return c;this.sg=c}null==this.oabc&&this.uc.setUnitCellFromParams(this.unitCellParams,
!1,this.slop)}var e=this.uc;null==this.oabc?(this.oabc=this.uc.getUnitCellVectors(),this.uc=this.uc.getUnitCellMultiplied(),null!=this.origin&&!this.origin.equals(this.uc.getCartesianOffset())&&(this.oabc[0].setT(this.origin),this.uc.setCartesianOffset(this.origin))):this.uc.getUnitCell(this.oabc,!1,"finder");if(this.isUnknown)this.filterGroups(b,this.uc.getUnitCellParams());else if(0==this.nAtoms)return this.sg;if(null!=this.bsAtoms){this.atoms=Array(this.bsAtoms.cardinality());System.out.println("bsAtoms = "+
this.bsAtoms);for(var g=0,h=this.bsAtoms.nextSetBit(0);0<=h;h=this.bsAtoms.nextSetBit(h+1),g++){var l=this.cartesians[h],j=l.getAtomicAndIsotopeNumber();(this.atoms[g]=oa(JS.SpaceGroupFinder.SGAtom,this,null,j,h,l.getAtomName(),l.getOccupancy100())).setT(this.toFractional(l,this.uc))}}var m=JU.BSUtil.newBitSet2(0,this.nAtoms);this.nAtoms=m.cardinality();e=this.uc;if(0<this.nAtoms){for(h=m.nextSetBit(0);0<=h;h=m.nextSetBit(h+1))this.uc.unitize(this.atoms[h]);this.removeDuplicates(m);if(this.$checkSupercell&&
(this.uc=this.checkSupercell(this.vwr,this.uc,m,1,this.scaling),this.uc=this.checkSupercell(this.vwr,this.uc,m,2,this.scaling),this.uc=this.checkSupercell(this.vwr,this.uc,m,3,this.scaling),this.isSupercell=this.uc!==e))1!=this.scaling.x&&System.out.println("supercell found; a scaled by 1/"+this.scaling.x),1!=this.scaling.y&&System.out.println("supercell found; b scaled by 1/"+this.scaling.y),1!=this.scaling.z&&System.out.println("supercell found; c scaled by 1/"+this.scaling.z)}f=m.cardinality();
this.bsAtoms=new JU.BS;for(var s=Array(f),g=0,h=m.nextSetBit(0);0<=h;h=m.nextSetBit(h+1))l=this.atoms[h],s[g++]=l,this.isSupercell&&(l.setT(this.toFractional(this.cartesians[l.index],this.uc)),this.uc.unitize(l)),this.bsAtoms.set(this.atoms[h].index);this.atoms=s;this.nAtoms=f;m.clearAll();m.setBits(0,this.nAtoms);this.bsPoints0=JU.BS.copy(m);var p=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT),n=JU.BS.newN(this.nAtoms);a.setBits(1,null==this.sg?JS.SpaceGroupFinder.OP_COUNT:this.sg.getOperationCount());
0==this.nAtoms&&(b.clearBits(1,JS.SpaceGroupFinder.GROUP_COUNT),a.clearAll());var q=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT),u=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT);u.set(0);for(var g=!1,c=0,t=a.nextSetBit(1);0<t&&!b.isEmpty();t=a.nextSetBit(t+1)){var w=null==this.sg?JS.SpaceGroupFinder.getOp(t):this.sg.getOperation(t);null==this.sg&&(System.out.println("\n"+ ++c+" Checking operation "+t+" "+JS.SpaceGroupFinder.opXYZ[t]),System.out.println("bsGroups = "+b),System.out.println("bsOps = "+a),d++);
e=!0;m.clearAll();m.or(this.bsPoints0);n.clearAll();for(h=m.nextSetBit(0);0<=h;h=m.nextSetBit(h+1)){m.clear(h);var x=this.findEquiv(t,w,h,m,!0);if(0>x&&null==this.sg){System.out.println("failed op "+t+" for atom "+h+" "+this.atoms[h].name+" "+this.atoms[h]+" looking for "+this.pTemp+"\n"+w);e=!1;break}0<=x&&h!=x&&n.set(x)}if(null==this.sg){var y=JS.SpaceGroupFinder.bsOpGroups[t];a.clear(t);u.set(t);if(e)1==t&&(g=!0),this.targets.or(n);else{b.andNot(y);p.clearAll();for(h=b.nextSetBit(0);0<=h;h=b.nextSetBit(h+
1))p.or(JS.SpaceGroupFinder.bsGroupOps[h]);a.and(p)}}else this.targets.or(n)}if(null==this.sg&&(f=b.cardinality(),0==f&&(b.set(g?1:0),f=1,g&&!this.asString&&(q.clearAll(),q.set(1),u.clearAll(),this.targets.clearAll(),m.or(this.bsPoints0))),this.isg=b.nextSetBit(0),1==f&&0<this.isg)){var B=JS.SpaceGroupFinder.bsGroupOps[this.isg];u.and(B);q.and(B);q.andNot(u);q.or(B);q.clear(0);m.or(this.bsPoints0);this.checkBasis(q,m)||(System.out.println("failed checkBasis"),this.isg=0)}}catch(A){if(Q(A,Exception))A.printStackTrace(),
b.clearAll();else throw A;}if(null==this.sg){System.out.println("checked "+d+" operations; now "+f+" groups="+b+" ops="+a);a=Array(b.cardinality());g=0;for(h=b.nextSetBit(0);0<=h;h=b.nextSetBit(h+1))(a[g++]=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[h])).sfIndex=h;java.util.Arrays.sort(a,(Fa("JS.SpaceGroupFinder$1")?0:JS.SpaceGroupFinder.$SpaceGroupFinder$1$(),oa(JS.SpaceGroupFinder$1,this,null)));for(h=a.length;0<=--h&&!this.checkUnitCell(a[h]);)System.out.println("SpaceGroupFinder unit cell check failed for "+
JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[h])),f--,b.clear(a[h].sfIndex);System.out.println("SpaceGroupFinder found "+b.cardinality()+" possible groups");this.isg=b.length()-1;if(0>this.isg)return null;this.sg=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[this.isg])}return this.sg});e(c,"checkUnitCell",function(a){if(3>a.itaNo||16<=a.itaNo)return!0;null==this.zero&&(this.vectorBA=new JU.V3,this.vectorBC=new JU.V3,this.zero=new JU.P3);a=a.getClegId();a=a.substring(a.indexOf(":")+
1);var b=this.uc.staticConvertOperation("!"+a,null,null);a=JU.P3.new3(1,0,0);var f=JU.P3.new3(0,1,0),d=JU.P3.new3(0,0,1);b.rotTrans(a);b.rotTrans(f);b.rotTrans(d);this.uc.toCartesian(a,!0);this.uc.toCartesian(f,!0);this.uc.toCartesian(d,!0);b=JU.Measure.computeAngle(a,this.zero,f,this.vectorBA,this.vectorBC,!0);a=JU.Measure.computeAngle(a,this.zero,f,this.vectorBA,this.vectorBC,!0);return this.approx0(b-90)&&this.approx0(a-90)},"JS.SpaceGroup");c.nameToGroup=e(c,"nameToGroup",function(a){var b="0"!=
a.charAt(0)?0:"0"!=a.charAt(1)?1:2;return JS.SpaceGroup.nameToGroup.get(a.substring(b))},"~S");e(c,"setSpaceGroupAndUnitCell",function(a,b,f,d){var c=(new JS.Symmetry).setViewer(this.vwr);c.setSpaceGroupTo(a);null==f?(f=F(6,0),a.createCompatibleUnitCell(b,f,d)||(f=b),c.setUnitCellFromParams(f,!1,NaN)):c.getUnitCell(f,!1,"modelkit");return c},"JS.SpaceGroup,~A,~A,~B");e(c,"removeDuplicates",function(a){for(var b=a.nextSetBit(0);0<=b;b=a.nextSetBit(b+1))for(var f=this.atoms[b],d=a.nextSetBit(0);d<b;d=
a.nextSetBit(d+1)){var c=this.atoms[d];if(f.typeAndOcc==c.typeAndOcc&&1.96E-6>f.distanceSquared(c)){a.clear(b);break}}},"JU.BS");e(c,"dumpBasis",function(){},"JU.BS,JU.BS,JU.BS");e(c,"checkBasis",function(a,b){var f=a.cardinality();if(0==f)return!0;var d=new JU.BS;d.or(b);System.out.println("finishing check for basis for "+f+" operations");for(f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1)){var c=JS.SpaceGroupFinder.getOp(f);d.or(b);for(var e=d.nextSetBit(0);0<=e;e=d.nextSetBit(e+1))if(0>this.findEquiv(-1,
c,e,d,!1))return!1}return!0},"JU.BS,JU.BS");e(c,"filterGroups",function(a,b){var f=!1,d=!1,c=!1,e=!1,g=!1,h=this.approx001(b[0]-b[1]),l=this.approx001(b[1]-b[2]);90==b[3]?90==b[4]&&(h&&b[0]!=b[1]&&System.out.println("OHOH - very close a,b distance"),c=h&&this.approx001(b[5]-120),90==b[5]&&(g=h&&b[1]==b[2],d=!g&&h,f=!g&&!d)):h&&(l&&this.approx001(b[3]-b[4])&&this.approx001(b[4]-b[5]))&&(e=!0);a.setBits(0,2);for(l=h=2;;){l=JS.SpaceGroupFinder.scanTo(l,"16");if(!f&&!d&&!c&&!e&&!g)break;l=JS.SpaceGroupFinder.scanTo(l,
"75");if(!d&&!c&&!e&&!g)break;l=JS.SpaceGroupFinder.scanTo(l,"143");if(!c&&!e&&!g)break;for(h=l;;l++){f=JS.SpaceGroupFinder.groupNames[l];if(0<=f.indexOf(":r")){if(!e)continue;a.set(l)}if(f.startsWith("195")){if(e)return;break}}if(!g)break;a.setBits(2,h);h=l;l=JS.SpaceGroupFinder.GROUP_COUNT;break}a.setBits(h,l)},"JU.BS,~A");e(c,"approx001",function(a){return 0.001>Math.abs(a)},"~N");c.scanTo=e(c,"scanTo",function(a,b){b="000"+b;for(b=b.substring(b.length-3);!JS.SpaceGroupFinder.groupNames[a].startsWith(b);a++);
return a},"~N,~S");e(c,"getGroupsWithOps",function(){var a=new JU.BS;null==this.unitCellParams?a.setBits(0,JS.SpaceGroupFinder.GROUP_COUNT):this.filterGroups(a,this.unitCellParams);var b=null;if(!JS.SpaceGroup.isXYZList(this.xyzList)){b=JS.SpaceGroup.determineSpaceGroupNA(this.xyzList,this.unitCellParams);if(null==b)return null;b.checkHallOperators();for(var f="00"+b.jmolId,d=f.indexOf(":"),f=f.substring((0>d?f.length:d)-3),d=0;d<JS.SpaceGroupFinder.GROUP_COUNT;d++)if(JS.SpaceGroupFinder.groupNames[d].equals(f)){if(!a.get(d))break;
if(null!=this.unitCellParams&&(this.uc.setUnitCellFromParams(this.unitCellParams,!1,this.slop),!this.checkUnitCell(b)))break;return b}return null}for(var b=!this.isQuery||this.isAssign,f=JU.PT.split(JU.PT.trim(this.xyzList.trim().$replace("&",";"),";="),";"),c=f.length;0<=--c;){var e=f[c];if(null==e)return"?"+f[c]+"?";e=JS.SymmetryOperation.getJmolCanonicalXYZ(e);for(d=JS.SpaceGroupFinder.opXYZ.length;0<=--d;){if(JS.SpaceGroupFinder.opXYZ[d].equals(e)){a.and(JS.SpaceGroupFinder.bsOpGroups[d]);break}0==
d&&a.clearAll()}}if(a.isEmpty())return this.isAssign?JS.SpaceGroup.createSpaceGroupN(this.xyzList,!0):null;if(b){b=f.length;for(d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))if(JS.SpaceGroupFinder.bsGroupOps[d].cardinality()==b)return this.sg=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[d]),this.uc.setUnitCellFromParams(this.unitCellParams,!1,this.slop),!this.checkUnitCell(this.sg)&&this.isAssign?JS.SpaceGroup.createSpaceGroupN(JS.SpaceGroupFinder.groupNames[d],!0):JS.SpaceGroup.getInfo(null,
JS.SpaceGroupFinder.groupNames[d],this.unitCellParams,!0,!1);return null}b=new JU.Lst;this.uc.setUnitCellFromParams(this.unitCellParams,!1,this.slop);for(d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))f=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[d]),this.checkUnitCell(f)&&b.addLast(f.getClegId());return b});e(c,"toFractional",function(a,b){this.pTemp.setT(a);b.toFractional(this.pTemp,!1);return this.pTemp},"JM.Atom,J.api.SymmetryInterface");c.getOp=e(c,"getOp",function(a){var b=JS.SpaceGroupFinder.ops[a];
null==b&&(JS.SpaceGroupFinder.ops[a]=b=new JS.SymmetryOperation(null,a,!1),b.setMatrixFromXYZ(JS.SpaceGroupFinder.opXYZ[a],0,!1),b.doFinalize());return b},"~N");e(c,"checkSupercell",function(a,b,f,d,c){if(f.isEmpty())return b;for(var e=2147483647,g=-2147483648,h=L(101,0),l=f.cardinality(),j=f.nextSetBit(0);0<=j;j=f.nextSetBit(j+1))for(var m=this.atoms[j],s=m.typeAndOcc,p,n,q=f.nextSetBit(0);0<=q;q=f.nextSetBit(q+1))if(!(q==j||(p=this.atoms[q]).typeAndOcc!=s)){this.pTemp.sub2(p,m);switch(d){case 1:if(this.approx0(n=
this.pTemp.x)||!this.approx0(this.pTemp.y)||!this.approx0(this.pTemp.z))continue;break;case 2:if(this.approx0(n=this.pTemp.y)||!this.approx0(this.pTemp.x)||!this.approx0(this.pTemp.z))continue;break;default:case 3:if(this.approx0(n=this.pTemp.z)||!this.approx0(this.pTemp.x)||!this.approx0(this.pTemp.y))continue}var u=this.approxInt(1/n);0==u||(C(l/u)!=1*l/u||100<u)||(u>g&&(g=u),u<e&&(e=u),h[u]++)}for(u=g;u>=e&&!(0<h[u]&&h[u]==C((u-1)*l/u));)--u;if(u<e)return b;e=b.getUnitCellVectors();e[d].scale(1/
u);switch(d){case 1:c.x=u;break;case 2:c.y=u;break;case 3:c.z=u}(b=new JS.Symmetry).setViewer(a).getUnitCell(e,!1,"scaled");n=0;for(j=f.nextSetBit(0);0<=j;j=f.nextSetBit(j+1)){switch(d){case 1:n=this.approxInt(u*this.atoms[j].x);break;case 2:n=this.approxInt(u*this.atoms[j].y);break;case 3:n=this.approxInt(u*this.atoms[j].z)}0!=n&&(this.atoms[j]=null,f.clear(j))}f.cardinality();return b},"JV.Viewer,JS.Symmetry,JU.BS,~N,JU.P3");e(c,"approx0",function(a){return Math.abs(a)<this.slop},"~N");e(c,"approxInt",
function(a){var b=x(a+this.slop);return this.approx0(a-b)?b:0},"~N");e(c,"findEquiv",function(a,b,f,d,c){a=this.atoms[f];this.pTemp.setT(a);b.rotTrans(this.pTemp);this.uc.unitize(this.pTemp);if(0==this.pTemp.distanceSquared(a))return f;b=a.typeAndOcc;for(a=this.nAtoms;0<=--a;){var e=this.atoms[a];if(e.typeAndOcc==b){var g=e.distance(this.pTemp);if(1.96E-6>g*g||1.96E-6>(1-g)*(1-g)&&this.latticeShift(this.pTemp,e))return c&&(a=Math.max(f,a),f!=a&&d.clear(a)),a}}return-1},"~N,JS.SymmetryOperation,~N,JU.BS,~B");
e(c,"latticeShift",function(a,b){return this.approx0(Math.abs(a.x-b.x)-1)||this.approx0(Math.abs(a.y-b.y)-1)||this.approx0(Math.abs(a.z-b.z)-1)},"JU.P3,JU.P3");c.main=e(c,"main",function(){JS.SpaceGroupFinder.loadData(null)&&System.out.println("OK")},"~A");c.loadData=e(c,"loadData",function(a){try{JS.SpaceGroupFinder.groupNames=JS.SpaceGroupFinder.getList(a,null,"sggroups_ordered.txt");JS.SpaceGroupFinder.GROUP_COUNT=JS.SpaceGroupFinder.groupNames.length;JS.SpaceGroupFinder.opXYZ=JS.SpaceGroupFinder.getList(a,
null,"sgops_ordered.txt");JS.SpaceGroupFinder.OP_COUNT=JS.SpaceGroupFinder.opXYZ.length;var b=JS.SpaceGroupFinder.getList(a,Array(JS.SpaceGroupFinder.OP_COUNT),"sgmap.txt");JS.SpaceGroupFinder.bsGroupOps=Array(JS.SpaceGroupFinder.GROUP_COUNT);JS.SpaceGroupFinder.bsOpGroups=Array(JS.SpaceGroupFinder.OP_COUNT);for(a=0;a<JS.SpaceGroupFinder.GROUP_COUNT;a++)JS.SpaceGroupFinder.bsGroupOps[a]=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT);for(var f=0;f<JS.SpaceGroupFinder.OP_COUNT;f++){var d=b[f],c=d.length;
JS.SpaceGroupFinder.bsOpGroups[f]=JU.BS.newN(JS.SpaceGroupFinder.GROUP_COUNT);for(a=0;a<c;a++)"1"==d.charAt(a)&&(JS.SpaceGroupFinder.bsGroupOps[a].set(f),JS.SpaceGroupFinder.bsOpGroups[f].set(a))}JS.SpaceGroupFinder.ops=Array(JS.SpaceGroupFinder.OP_COUNT);return!0}catch(e){if(Q(e,Exception))return e.printStackTrace(),!1;throw e;}finally{if(null!=JS.SpaceGroupFinder.rdr)try{JS.SpaceGroupFinder.rdr.close()}catch(g){if(!Q(g,"java.io.IOException"))throw g;}}},"JV.Viewer");c.getList=e(c,"getList",function(a,
b,f){JS.SpaceGroupFinder.rdr=JV.FileManager.getBufferedReaderForResource(a,JS.SpaceGroupFinder,"JS/","sg/"+f);if(null==b){for(b=new JU.Lst;null!=(a=JS.SpaceGroupFinder.rdr.readLine());)0<a.length&&b.addLast(a);b.toArray(b=Array(b.size()))}else for(a=0;a<b.length;a++)b[a]=JS.SpaceGroupFinder.rdr.readLine();JS.SpaceGroupFinder.rdr.close();return b},"JV.Viewer,~A,~S");c.$SpaceGroupFinder$SGAtom$=function(){var a=O(function(){Ka(this,arguments);this.index=this.typeAndOcc=0;this.name=null;P(this,arguments)},
JS.SpaceGroupFinder,"SGAtom",JU.P3);V(a,function(b,a,d,c){Ea(this,JS.SpaceGroupFinder.SGAtom,[]);this.typeAndOcc=b+1E3*c;this.index=a;this.name=d},"~N,~N,~S,~N")};c.$SpaceGroupFinder$1$=function(){var a=mb(JS,"SpaceGroupFinder$1",null,java.util.Comparator);n(a,"compare",function(b,a){return b.itaNo!=a.itaNo?b.itaNo-a.itaNo:a.setNo-b.setNo},"JS.SpaceGroup,JS.SpaceGroup")};c.GROUP_COUNT=0;c.OP_COUNT=0;c.bsOpGroups=null;c.bsGroupOps=null;c.groupNames=null;c.opXYZ=null;c.ops=null;c.rdr=null});ca("JS");
ja(["JU.M4"],"JS.HallInfo",["JU.P3i","$.SB","JS.SymmetryOperation","JU.Logger"],function(){var c=O(function(){this.primitiveHallSymbol=this.hallSymbol=null;this.latticeCode="\x00";this.latticeExtension=null;this.$isCentrosymmetric=!1;this.rotationTerms=null;this.nRotations=0;this.vectorCode=this.vector12ths=null;P(this,arguments)},JS,"HallInfo",null);ka(c,function(){this.rotationTerms=Array(16)});V(c,function(a){this.init(a)},"~S");e(c,"getRotationCount",function(){return this.nRotations});e(c,"isGenerated",
function(){return 0<this.nRotations});e(c,"getLatticeCode",function(){return this.latticeCode});e(c,"isCentrosymmetric",function(){return this.$isCentrosymmetric});e(c,"getHallSymbol",function(){return this.hallSymbol});e(c,"init",function(a){try{var b=this.hallSymbol=a.trim(),b=this.extractLatticeInfo(b);if(0!=JS.HallInfo.HallTranslation.getLatticeIndex(this.latticeCode)){this.latticeExtension=JS.HallInfo.HallTranslation.getLatticeExtension(this.latticeCode,this.$isCentrosymmetric);b=this.extractVectorInfo(b)+
this.latticeExtension;JU.Logger.debugging&&JU.Logger.debug("Hallinfo: "+a+" "+b);a=0;var f="\x00";for(this.primitiveHallSymbol="P";0<b.length&&16>this.nRotations;){var b=this.extractRotationInfo(b,a,f),d=this.rotationTerms[this.nRotations-1];a=d.order;f=d.axisType;this.primitiveHallSymbol+=" "+d.primitiveCode}this.primitiveHallSymbol+=this.vectorCode}}catch(c){if(Q(c,Exception))JU.Logger.error("Invalid Hall symbol "+c),this.nRotations=0;else throw c;}},"~S");e(c,"dumpInfo",function(){var a=new JU.SB;
a.append("\nHall symbol: ").append(this.hallSymbol).append("\nprimitive Hall symbol: ").append(this.primitiveHallSymbol).append("\nlattice type: ").append(this.getLatticeDesignation());for(var b=0;b<this.nRotations;b++)a.append("\n\nrotation term ").appendI(b+1).append(this.rotationTerms[b].dumpInfo(this.vectorCode));return a.toString()});e(c,"getLatticeDesignation",function(){return JS.HallInfo.HallTranslation.getLatticeDesignation2(this.latticeCode,this.$isCentrosymmetric)});e(c,"extractLatticeInfo",
function(a){var b=a.indexOf(" ");if(0>b)return"";var f=a.substring(0,b).toUpperCase();this.latticeCode=f.charAt(0);"-"==this.latticeCode&&(this.$isCentrosymmetric=!0,this.latticeCode=f.charAt(1));return a.substring(b+1).trim()},"~S");e(c,"extractVectorInfo",function(a){this.vector12ths=new JU.P3i;this.vectorCode="";var b=a.indexOf("("),f=a.indexOf(")",b);0<b&&f>b&&(f=a.substring(b+1,f),this.vectorCode=" ("+f+")",a=a.substring(0,b).trim(),b=f.indexOf(" "),0<=b&&(this.vector12ths.x=Integer.parseInt(f.substring(0,
b)),f=f.substring(b+1).trim(),b=f.indexOf(" "),0<=b&&(this.vector12ths.y=Integer.parseInt(f.substring(0,b)),f=f.substring(b+1).trim())),this.vector12ths.z=Integer.parseInt(f));return a},"~S");e(c,"extractRotationInfo",function(a,b,f){var d=a.indexOf(" "),c;0<=d?(c=a.substring(0,d),a=a.substring(d+1).trim()):(c=a,a="");this.rotationTerms[this.nRotations]=new JS.HallInfo.HallRotationTerm(this,c,b,f);this.nRotations++;return a},"~S,~N,~S");n(c,"toString",function(){return this.hallSymbol});e(c,"generateAllOperators",
function(a){for(var b=new JU.M4,f=new JU.M4,d=Array(7),c=0;7>c;c++)d[c]=new JU.M4;for(var e=a.getMatrixOperationCount(),c=0;c<this.nRotations;c++){var g=this.rotationTerms[c];b.setM4(g.seitzMatrix12ths);g=g.order;d[0].setIdentity();for(var h=1;h<=g;h++){var l=d[h];l.mul2(b,d[0]);d[0].setM4(l);for(var j=0,m=0;m<e;m++)f.mul2(l,a.getMatrixOperation(m)),f.m03=(x(f.m03)+12)%12,f.m13=(x(f.m13)+12)%12,f.m23=(x(f.m23)+12)%12,a.addHallOperationCheckDuplicates(f)&&j++;e+=j}}},"JS.HallInfo.HallReceiver");c.getHallLatticeEquivalent=
e(c,"getHallLatticeEquivalent",function(a){var b=JS.HallInfo.HallTranslation.getLatticeCode(a);return(0<a?"-":"")+b+" 1"},"~N");c.getLatticeDesignation=e(c,"getLatticeDesignation",function(a){return JS.HallInfo.HallTranslation.getLatticeDesignation(a)},"~N");c.getLatticeIndex=e(c,"getLatticeIndex",function(a){return JS.HallInfo.HallTranslation.getLatticeIndex(a)},"~S");c.getLatticeIndexFromCode=e(c,"getLatticeIndexFromCode",function(a){return JS.HallInfo.getLatticeIndex(JS.HallInfo.HallTranslation.getLatticeCode(a))},
"~N");lb(JS.HallInfo,"HallReceiver");c=O(function(){this.seitzMatrixInv=this.seitzMatrix=this.rotCode=null;P(this,arguments)},JS.HallInfo,"HallRotation",null);ka(c,function(){this.seitzMatrix=new JU.M4;this.seitzMatrixInv=new JU.M4});V(c,function(a,b){this.rotCode=a;var f=F(16,0),d=F(16,0);f[15]=d[15]=1;for(var c=0,e=0;11>e;c++){var g=0;switch(b.charAt(c).charCodeAt(0)){case 32:e++;continue;case 43:case 49:g=1;break;case 45:g=-1}f[e]=g;d[e]=-g;e++}this.seitzMatrix.setA(f);this.seitzMatrixInv.setA(d)},
"~S,~S");c.lookup=e(c,"lookup",function(a){for(var b=JS.HallInfo.HallRotation.getHallTerms().length;0<=--b;)if(JS.HallInfo.HallRotation.hallRotationTerms[b].rotCode.equals(a))return JS.HallInfo.HallRotation.hallRotationTerms[b];return null},"~S");c.getHallTerms=e(c,"getHallTerms",function(){return null==JS.HallInfo.HallRotation.hallRotationTerms?JS.HallInfo.HallRotation.hallRotationTerms=H(-1,[new JS.HallInfo.HallRotation("1_","+00 0+0 00+"),new JS.HallInfo.HallRotation("2x","+00 0-0 00-"),new JS.HallInfo.HallRotation("2y",
"-00 0+0 00-"),new JS.HallInfo.HallRotation("2z","-00 0-0 00+"),new JS.HallInfo.HallRotation("2'","0-0 -00 00-"),new JS.HallInfo.HallRotation('2"',"0+0 +00 00-"),new JS.HallInfo.HallRotation("2x'","-00 00- 0-0"),new JS.HallInfo.HallRotation('2x"',"-00 00+ 0+0"),new JS.HallInfo.HallRotation("2y'","00- 0-0 -00"),new JS.HallInfo.HallRotation('2y"',"00+ 0-0 +00"),new JS.HallInfo.HallRotation("2z'","0-0 -00 00-"),new JS.HallInfo.HallRotation('2z"',"0+0 +00 00-"),new JS.HallInfo.HallRotation("3x","+00 00- 0+-"),
new JS.HallInfo.HallRotation("3y","-0+ 0+0 -00"),new JS.HallInfo.HallRotation("3z","0-0 +-0 00+"),new JS.HallInfo.HallRotation("3*","00+ +00 0+0"),new JS.HallInfo.HallRotation("4x","+00 00- 0+0"),new JS.HallInfo.HallRotation("4y","00+ 0+0 -00"),new JS.HallInfo.HallRotation("4z","0-0 +00 00+"),new JS.HallInfo.HallRotation("6x","+00 0+- 0+0"),new JS.HallInfo.HallRotation("6y","00+ 0+0 -0+"),new JS.HallInfo.HallRotation("6z","+-0 +00 00+")]):JS.HallInfo.HallRotation.hallRotationTerms});c.hallRotationTerms=
null;c=O(function(){this.translationCode="\x00";this.rotationShift12ths=this.rotationOrder=0;this.vectorShift12ths=null;P(this,arguments)},JS.HallInfo,"HallTranslation",null);V(c,function(a,b){this.translationCode=a;if(null!=b){if(0<=b.z){this.vectorShift12ths=b;return}this.rotationOrder=b.x;this.rotationShift12ths=b.y}this.vectorShift12ths=new JU.P3i},"~S,JU.P3i");c.getLatticeIndex=e(c,"getLatticeIndex",function(a){for(var b=1,f=3;b<=JS.HallInfo.HallTranslation.nLatticeTypes;b++,f+=3)if(JS.HallInfo.HallTranslation.latticeTranslationData[f].charAt(0)==
a)return b;return 0},"~S");c.getLatticeCode=e(c,"getLatticeCode",function(a){0>a&&(a=-a);return 0==a?"\x00":a>JS.HallInfo.HallTranslation.nLatticeTypes?JS.HallInfo.HallTranslation.getLatticeCode(JS.HallInfo.HallTranslation.getLatticeIndex(String.fromCharCode(a))):JS.HallInfo.HallTranslation.latticeTranslationData[3*a].charAt(0)},"~N");c.getLatticeDesignation=e(c,"getLatticeDesignation",function(a){var b=0<a;0>a&&(a=-a);return 0==a||a>JS.HallInfo.HallTranslation.nLatticeTypes?"":(b?"-":"")+JS.HallInfo.HallTranslation.getLatticeCode(a)+
": "+(b?"centrosymmetric ":"")+JS.HallInfo.HallTranslation.latticeTranslationData[3*a+1]},"~N");c.getLatticeDesignation2=e(c,"getLatticeDesignation2",function(a,b){var f=JS.HallInfo.HallTranslation.getLatticeIndex(a);b||(f=-f);return JS.HallInfo.HallTranslation.getLatticeDesignation(f)},"~S,~B");c.getLatticeExtension=e(c,"getLatticeExtension",function(a,b){for(var f=1,d=3;f<=JS.HallInfo.HallTranslation.nLatticeTypes;f++,d+=3)if(JS.HallInfo.HallTranslation.latticeTranslationData[d].charAt(0)==a)return JS.HallInfo.HallTranslation.latticeTranslationData[d+
2]+(b?" -1":"");return""},"~S,~B");c.getHallTerms=e(c,"getHallTerms",function(){return null==JS.HallInfo.HallTranslation.hallTranslationTerms?JS.HallInfo.HallTranslation.hallTranslationTerms=H(-1,[new JS.HallInfo.HallTranslation("a",JU.P3i.new3(6,0,0)),new JS.HallInfo.HallTranslation("b",JU.P3i.new3(0,6,0)),new JS.HallInfo.HallTranslation("c",JU.P3i.new3(0,0,6)),new JS.HallInfo.HallTranslation("n",JU.P3i.new3(6,6,6)),new JS.HallInfo.HallTranslation("u",JU.P3i.new3(3,0,0)),new JS.HallInfo.HallTranslation("v",
JU.P3i.new3(0,3,0)),new JS.HallInfo.HallTranslation("w",JU.P3i.new3(0,0,3)),new JS.HallInfo.HallTranslation("d",JU.P3i.new3(3,3,3)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(2,6,-1)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(3,4,-1)),new JS.HallInfo.HallTranslation("2",JU.P3i.new3(3,8,-1)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(4,3,-1)),new JS.HallInfo.HallTranslation("3",JU.P3i.new3(4,9,-1)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(6,2,-1)),new JS.HallInfo.HallTranslation("2",
JU.P3i.new3(6,4,-1)),new JS.HallInfo.HallTranslation("4",JU.P3i.new3(6,8,-1)),new JS.HallInfo.HallTranslation("5",JU.P3i.new3(6,10,-1)),new JS.HallInfo.HallTranslation("r",JU.P3i.new3(4,8,8)),new JS.HallInfo.HallTranslation("s",JU.P3i.new3(8,8,4)),new JS.HallInfo.HallTranslation("t",JU.P3i.new3(8,4,8))]):JS.HallInfo.HallTranslation.hallTranslationTerms});c.getHallTranslation=e(c,"getHallTranslation",function(a,b){for(var f=null,d=JS.HallInfo.HallTranslation.getHallTerms().length;0<=--d;){var c=JS.HallInfo.HallTranslation.hallTranslationTerms[d];
if(c.translationCode==a&&(0==c.rotationOrder||c.rotationOrder==b)){f=new JS.HallInfo.HallTranslation(a,null);f.translationCode=a;f.rotationShift12ths=c.rotationShift12ths;f.vectorShift12ths=c.vectorShift12ths;break}}return f},"~S,~N");c.latticeTranslationData=H(-1,"\x00;unknown;;P;primitive;;I;body-centered; 1n;R;rhombohedral; 1r 1r;F;face-centered; 1ab 1bc 1ac;A;A-centered; 1bc;B;B-centered; 1ac;C;C-centered; 1ab;S;rhombohedral(S); 1s 1s;T;rhombohedral(T); 1t 1t".split(";"));c.nLatticeTypes=C(JS.HallInfo.HallTranslation.latticeTranslationData.length/
3)-1;c.hallTranslationTerms=null;c=O(function(){this.seitzMatrix12ths=this.primitiveCode=null;this.order=0;this.axisType="\x00";this.translation=this.rotation=this.translationString=this.lookupCode=this.inputCode=null;this.isImproper=!1;this.diagonalReferenceAxis="\x00";this.allPositive=!0;P(this,arguments)},JS.HallInfo,"HallRotationTerm",null);ka(c,function(){this.seitzMatrix12ths=new JU.M4});V(c,function(a,b,f,d){this.inputCode=b;b+="   ";"-"==b.charAt(0)&&(this.isImproper=!0,b=b.substring(1));
this.primitiveCode="";this.order=b.charAt(0).charCodeAt(0)-48;this.axisType=this.diagonalReferenceAxis="\x00";var c=2,e;switch((e=b.charAt(1)).charCodeAt(0)){case 120:case 121:case 122:switch(b.charAt(2).charCodeAt(0)){case 39:case 34:this.diagonalReferenceAxis=e,e=b.charAt(2),c++}case 42:this.axisType=e;break;case 39:case 34:this.axisType=e;switch(b.charAt(2).charCodeAt(0)){case 120:case 121:case 122:this.diagonalReferenceAxis=b.charAt(2);c++;break;default:this.diagonalReferenceAxis=d}break;default:this.axisType=
1==this.order?"_":0==a.nRotations?"z":2==a.nRotations?"*":2==f||4==f?"x":"'",b=b.substring(0,1)+this.axisType+b.substring(1)}this.primitiveCode+="_"==this.axisType?"1":b.substring(0,2);"\x00"!=this.diagonalReferenceAxis&&(b=b.substring(0,1)+this.diagonalReferenceAxis+this.axisType+b.substring(c),this.primitiveCode+=this.diagonalReferenceAxis,c=3);this.lookupCode=b.substring(0,c);this.rotation=JS.HallInfo.HallRotation.lookup(this.lookupCode);if(null==this.rotation)JU.Logger.error("Rotation lookup could not find "+
this.inputCode+" ? "+this.lookupCode);else{this.translation=new JS.HallInfo.HallTranslation("\x00",null);this.translationString="";for(f=b.length;c<f;c++)d=b.charAt(c),d=JS.HallInfo.HallTranslation.getHallTranslation(d,this.order),null!=d&&(this.translationString+=""+d.translationCode,this.translation.rotationShift12ths+=d.rotationShift12ths,this.translation.vectorShift12ths.add(d.vectorShift12ths));this.primitiveCode=(this.isImproper?"-":"")+this.primitiveCode+this.translationString;this.seitzMatrix12ths.setM4(this.isImproper?
this.rotation.seitzMatrixInv:this.rotation.seitzMatrix);this.seitzMatrix12ths.m03=this.translation.vectorShift12ths.x;this.seitzMatrix12ths.m13=this.translation.vectorShift12ths.y;this.seitzMatrix12ths.m23=this.translation.vectorShift12ths.z;switch(this.axisType.charCodeAt(0)){case 120:this.seitzMatrix12ths.m03+=this.translation.rotationShift12ths;break;case 121:this.seitzMatrix12ths.m13+=this.translation.rotationShift12ths;break;case 122:this.seitzMatrix12ths.m23+=this.translation.rotationShift12ths}0<
a.vectorCode.length&&(c=JU.M4.newM4(null),f=JU.M4.newM4(null),a=a.vector12ths,c.m03=a.x,c.m13=a.y,c.m23=a.z,f.m03=-a.x,f.m13=-a.y,f.m23=-a.z,this.seitzMatrix12ths.mul2(c,this.seitzMatrix12ths),this.seitzMatrix12ths.mul(f));JU.Logger.debugging&&JU.Logger.debug("code = "+b+"; primitive code ="+this.primitiveCode+"\n Seitz Matrix(12ths):"+this.seitzMatrix12ths)}},"JS.HallInfo,~S,~N,~S");e(c,"dumpInfo",function(a){var b=new JU.SB;b.append("\ninput code: ").append(this.inputCode).append("; primitive code: ").append(this.primitiveCode).append("\norder: ").appendI(this.order).append(this.isImproper?
" (improper axis)":"");"_"!=this.axisType&&(b.append("; axisType: ").appendC(this.axisType),"\x00"!=this.diagonalReferenceAxis&&b.appendC(this.diagonalReferenceAxis));0<this.translationString.length&&b.append("; translation: ").append(this.translationString);0<a.length&&b.append("; vector offset: ").append(a);null!=this.rotation&&b.append("\noperator: ").append(this.getXYZ(this.allPositive)).append("\nSeitz matrix:\n").append(JS.SymmetryOperation.dumpSeitz(this.seitzMatrix12ths,!1));return b.toString()},
"~S");e(c,"getXYZ",function(a){return JS.SymmetryOperation.getXYZFromMatrix(this.seitzMatrix12ths,!0,a,!0)},"~B")});ca("JS");ja(["JU.M4","$.P3"],"JS.SymmetryOperation","java.util.Hashtable JU.Lst $.Matrix $.Measure $.P4 $.PT $.SB $.V3 JU.BoxInfo $.Logger $.Parser".split(" "),function(){var c=O(function(){this.xyz=this.xyzCanonical=this.xyzOriginal=null;this.doNormalize=!0;this.isFinalized=!1;this.opId=0;this.info=this.centering=null;this.opType=-1;this.opOrder=0;this.spinU=this.opIsCCW=this.opPlane=
this.opAxis=this.opPoint2=this.opPoint=this.opGlide=this.opTrans=null;this.opPerDim=0;this.isIrrelevant=!1;this.iCoincident=0;this.myLabels=null;this.modDim=0;this.rsvs=this.linearRotTrans=null;this.isBio=!1;this.sigma=null;this.number=0;this.subsystemCode=null;this.timeReversal=0;this.isCenteringOp=this.unCentered=!1;this.magOp=2147483647;this.divisor=12;this.opAxisCode=this.opX=null;this.opIsLong=!1;P(this,arguments)},JS,"SymmetryOperation",JU.M4);V(c,function(a,b,f){Ea(this,JS.SymmetryOperation,
[]);this.doNormalize=f;null==a?this.opId=b:(this.xyzOriginal=a.xyzOriginal,this.xyz=a.xyz,this.divisor=a.divisor,this.opId=a.opId,this.modDim=a.modDim,this.myLabels=a.myLabels,this.number=a.number,this.linearRotTrans=a.linearRotTrans,this.sigma=a.sigma,this.subsystemCode=a.subsystemCode,this.timeReversal=a.timeReversal,this.spinU=a.spinU,this.setMatrix(!1),a.isFinalized||this.doFinalize())},"JS.SymmetryOperation,~N,~B");e(c,"getOpDesc",function(){-1==this.opType&&this.setOpTypeAndOrder();switch(this.opType){case 0:return"I";
case 1:return"Trans";case 2:return"Rot"+this.opOrder;case 4:return"Inv";case 8:return"Plane";case 3:return"Screw"+this.opOrder;case 6:return"Nbar"+this.opOrder;case 9:return"Glide"}return null});e(c,"getOpName",function(a){-1==this.opType&&this.setOpTypeAndOrder();switch(this.opType){case 0:return"I";case 1:return"Trans"+JS.SymmetryOperation.op48(this.opTrans);case 2:return"Rot"+this.opOrder+JS.SymmetryOperation.op48(this.opPoint)+JS.SymmetryOperation.op48(this.opAxis)+this.opIsCCW;case 4:return"Inv"+
JS.SymmetryOperation.op48(this.opPoint);case 8:return(0==a?"":"Plane")+this.opRound(this.opPlane);case 3:return 0==a?"S"+JS.SymmetryOperation.op48(this.opPoint)+JS.SymmetryOperation.op48(this.opAxis):"Screw"+this.opOrder+JS.SymmetryOperation.op48(this.opPoint)+JS.SymmetryOperation.op48(this.opAxis)+JS.SymmetryOperation.op48(this.opTrans)+this.opIsCCW;case 6:return"Nbar"+this.opOrder+JS.SymmetryOperation.op48(this.opPoint)+JS.SymmetryOperation.op48(this.opAxis)+this.opIsCCW;case 9:return(0==a?"":"Glide")+
this.opRound(this.opPlane)+(2==a?JS.SymmetryOperation.op48(this.opTrans):"")}System.out.println("SymmetryOperation REJECTED TYPE FOR "+this);return""},"~N");e(c,"opRound",function(a){return Math.round(1E3*a.x)+","+Math.round(1E3*a.y)+","+Math.round(1E3*a.z)+","+Math.round(1E3*a.w)},"JU.P4");e(c,"getOpTitle",function(){-1==this.opType&&this.setOpTypeAndOrder();switch(this.opType){case 0:return"identity ";case 1:return"translation "+JS.SymmetryOperation.opFrac(this.opTrans);case 2:return"rotation "+
this.opOrder;case 4:return"inversion center "+JS.SymmetryOperation.opFrac(this.opPoint);case 8:return"reflection ";case 3:return"screw rotation "+this.opOrder+(null==this.opIsCCW?"":this.opIsCCW===Boolean.TRUE?"(+) ":"(-) ")+JS.SymmetryOperation.opFrac(this.opTrans);case 6:return this.opOrder+"-bar "+(null==this.opIsCCW?"":this.opIsCCW===Boolean.TRUE?"(+) ":"(-) ")+JS.SymmetryOperation.opFrac(this.opPoint);case 9:return"glide reflection "+JS.SymmetryOperation.opFrac(this.opTrans)}return""});c.opFrac=
e(c,"opFrac",function(a){return"{"+JS.SymmetryOperation.opF(a.x)+" "+JS.SymmetryOperation.opF(a.y)+" "+JS.SymmetryOperation.opF(a.z)+"}"},"JU.T3");c.opF=e(c,"opF",function(a){if(0==a)return"0";var b=0>a;b&&(a=-a);var f=0;1<=a&&(f=x(a),a-=f);var d=Math.round(48*a);if(0!=JU.PT.approx(d/48-a,1E3))return""+JU.PT.approx(a,1E3);a=0==d%48?1:0==d%24?2:0==d%16?3:0==d%12?4:0==d%8?6:0==d%6?8:0==d%4?12:0==d%3?16:0==d%2?24:48;return(b?"-":"")+(f*a+C(d*a/48))+(1==a?"":"/"+a)},"~N");c.op48=e(c,"op48",function(a){return null==
a?(System.err.println("SymmetryOperation.op48 null"),"(null)"):"{"+Math.round(48*a.x)+" "+Math.round(48*a.y)+" "+Math.round(48*a.z)+"}"},"JU.T3");e(c,"setSigma",function(a,b){this.subsystemCode=a;this.sigma=b},"~S,JU.Matrix");e(c,"setGamma",function(a){for(var b=3+this.modDim,f=(this.rsvs=new JU.Matrix(null,b+1,b+1)).getArray(),d=La(b,0),c=0,e=0;e<b;e++){for(var g=0;g<b;g++)f[e][g]=this.linearRotTrans[c++];d[e]=(a?-1:1)*this.linearRotTrans[c++]}f[b][b]=1;a&&(this.rsvs=this.rsvs.inverse());for(e=0;e<
b;e++)f[e][b]=d[e];f=this.rsvs.getSubmatrix(0,0,3,3).getArray();for(e=0;3>e;e++)for(g=0;4>g;g++)this.setElement(e,g,3>g?f[e][g]:d[e]);this.setElement(3,3,1)},"~B");e(c,"doFinalize",function(){JS.SymmetryOperation.div12(this,this.divisor);if(0<this.modDim)for(var a=this.rsvs.getArray(),b=a.length-1;0<=--b;)a[b][3+this.modDim]=JS.SymmetryOperation.finalizeD(a[b][3+this.modDim],this.divisor);this.isFinalized=!0});c.div12=e(c,"div12",function(a,b){a.m03=JS.SymmetryOperation.finalizeF(a.m03,b);a.m13=JS.SymmetryOperation.finalizeF(a.m13,
b);a.m23=JS.SymmetryOperation.finalizeF(a.m23,b);return a},"JU.M4,~N");c.finalizeF=e(c,"finalizeF",function(a,b){if(0==b){if(0==a)return 0;var f=x(a);return 1*(f>>8)/(f&255)}return a/b},"~N,~N");c.finalizeD=e(c,"finalizeD",function(a,b){if(0==b){if(0==a)return 0;var f=C(a);return 1*(f>>8)/(f&255)}return a/b},"~N,~N");e(c,"getXyz",function(a){return a&&0==this.modDim||null==this.xyzOriginal?this.xyz:this.xyzOriginal},"~B");e(c,"getxyzTrans",function(a){var b=JU.M4.newM4(this);b.add(a);return JS.SymmetryOperation.getXYZFromMatrix(b,
!1,!1,!1)},"JU.T3");e(c,"dumpInfo",function(){return"\n"+this.xyz+"\ninternal matrix representation:\n"+this.toString()});c.dumpSeitz=e(c,"dumpSeitz",function(a,b){for(var f=new JU.SB,d=F(4,0),c=0;3>c;c++){a.getRow(c,d);f.append("[\t");for(var e=0;3>e;e++)f.appendI(x(d[e])).append("\t");e=d[3];0==e?f.append("0"):(e*=e==x(e)?4:48,f.append(JS.SymmetryOperation.twelfthsOf(b?JS.SymmetryOperation.normalizeTwelfths(e/48,48,!0):x(e))));f.append("\t]\n")}return f.toString()},"JU.M4,~B");e(c,"setMatrixFromXYZ",
function(a,b,f){if(null==a)return!1;this.xyzOriginal=a;this.divisor=JS.SymmetryOperation.setDivisor(a);a=a.toLowerCase();this.setModDim(b);var d=!1,c=!0;a.startsWith("!")&&(a.startsWith("!nohalf!")?(c=!1,this.xyzOriginal=a=a.substring(8)):(d=!1,a=a.substring(1)));if(0==a.indexOf("xyz matrix:"))return this.xyz=a,JU.Parser.parseStringInfestedFloatArray(a,null,this.linearRotTrans),this.setFromMatrix(null,d);if(0==a.indexOf("[[")){a=a.$replace("["," ").$replace("]"," ").$replace(","," ");JU.Parser.parseStringInfestedFloatArray(a,
null,this.linearRotTrans);for(b=this.linearRotTrans.length;0<=--b;)if(Float.isNaN(this.linearRotTrans[b]))return!1;this.setMatrix(d);this.isFinalized=!0;this.xyz=(this.isBio=0<=a.indexOf("bio"))?this.xyzOriginal=xa(this,JS.SymmetryOperation,"toString",[]):JS.SymmetryOperation.getXYZFromMatrix(this,!1,!1,!1);return!0}if(0==b&&0<=a.indexOf("x4"))for(b=14;4<=--b;)if(0<=a.indexOf("x"+b)){this.setModDim(b-3);break}var e=b=null;a.endsWith("m")?(this.timeReversal=0<=a.indexOf("-m")?-1:1,f=!0):0<=a.indexOf("mz)")?
(f=a.indexOf("("),b=a.substring(f+1,a.length-1),a=a.substring(0,f),f=!1):0<=a.indexOf("u")&&(f=a.indexOf("("),e=a.substring(f+1,a.length-1),a=a.substring(0,f),this.spinU=JS.SymmetryOperation.getMatrixFromXYZ(e,null,!1),this.timeReversal=x(this.spinU.determinant3()),f=!1);c=JS.SymmetryOperation.getRotTransArrayAndXYZ(this,a,this.linearRotTrans,f,c,!0,null);if(null==c)return!1;this.xyzCanonical=c;null!=b&&(f=1==JU.M4.newA16(this.linearRotTrans).determinant3(),this.timeReversal=0>a.indexOf("-x")==0>
b.indexOf("-mx")==f?1:-1);this.setMatrix(d);this.xyz=d?JS.SymmetryOperation.getXYZFromMatrix(this,!0,!1,!1):this.doNormalize?c:a;null==this.spinU&&0!=this.timeReversal&&(this.xyz+=1==this.timeReversal?",m":",-m");JU.Logger.debugging&&(JU.Logger.debug(""+this),null!=this.spinU&&JU.Logger.debug(""+this.spinU.toString().$replace("\n"," ")));return!0},"~S,~N,~B");c.setDivisor=e(c,"setDivisor",function(a){for(var b=a.indexOf("/"),c=a.length;0<b&&b<c-1;){var d=a.charAt(b+1);if(0>"2346".indexOf(d)||b<c-
2&&Character.isDigit(a.charAt(b+2)))return 0;b=a.indexOf("/",b+1)}return 12},"~S");e(c,"setModDim",function(a){this.modDim=a;0<a&&(this.myLabels=JS.SymmetryOperation.labelsXn);this.linearRotTrans=F((a+4)*(a+4),0)},"~N");e(c,"setMatrix",function(a){16<this.linearRotTrans.length?this.setGamma(a):(this.setA(this.linearRotTrans),a&&(a=JU.P3.new3(this.m03,this.m13,this.m23),this.invert(),this.rotate(a),a.scale(-1),this.setTranslation(a)))},"~B");e(c,"setFromMatrix",function(a,b){var c=0,d=0;this.myLabels=
0==this.modDim?JS.SymmetryOperation.labelsXYZ:JS.SymmetryOperation.labelsXn;for(var e=0,k=3+this.modDim,g=0;e<k;g++){if(Float.isNaN(this.linearRotTrans[g]))return!1;c=this.linearRotTrans[g];1E-5>Math.abs(c)&&(c=0);if(0==(g+1)%(k+1)){var h=0==this.divisor?x(c)&255:this.divisor;0==h&&(h=12);c=JS.SymmetryOperation.finalizeF(c,this.divisor);null!=a&&d<a.length&&(c+=a[d++]);c=JS.SymmetryOperation.normalizeTwelfths((0>c?-1:1)*Math.abs(c*h)/h,h,this.doNormalize);0==this.divisor&&(c=JS.SymmetryOperation.toDivisor(c,
h));e++}this.linearRotTrans[g]=c}this.linearRotTrans[this.linearRotTrans.length-1]=this.divisor;this.setMatrix(b);this.isFinalized=null==a;this.xyz=JS.SymmetryOperation.getXYZFromMatrix(this,!0,!1,!1);return!0},"~A,~B");c.getMatrixFromXYZ=e(c,"getMatrixFromXYZ",function(a,b,c){null==b&&(b=F(16,0));a=JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,b,!1,c,!0,null);if(null==a)return null;c=new JU.M4;c.setA(b);return JS.SymmetryOperation.div12(c,JS.SymmetryOperation.setDivisor(a))},"~S,~A,~B");c.getJmolCanonicalXYZ=
e(c,"getJmolCanonicalXYZ",function(a){try{return JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,null,!1,!0,!0,null)}catch(b){if(Q(b,Exception))return null;throw b;}},"~S");c.getRotTransArrayAndXYZ=e(c,"getRotTransArrayAndXYZ",function(a,b,c,d,e,k,g){var h=!1,l=!1,j=!1;b=JU.PT.rep(b,"[bio[","");var m=null==a?0:a.modDim,s=4+m,p=null==a?JS.SymmetryOperation.setDivisor(b):a.divisor,n=e&&(null==a?!b.startsWith("!"):a.doNormalize),q=0<m?3:0;if(null!=c){for(var u=c.length-1,t=u;0<=--t;)c[t]=0;c[u]=1}u=
b.indexOf(";")+1;0!=u&&(d=!0,u==b.length&&(b+="0,0,0"));var w=-1;a=JS.SymmetryOperation.getLabels(g,null==a||0==m?null:a.myLabels);null==a&&(a=JS.SymmetryOperation.labelsXYZ);b=b.toLowerCase()+",";b=b.$replace("(",",");0<m&&(b=JS.SymmetryOperation.replaceXn(b,m+3));for(var C=g=0,y=0,B,A=0,D=0,z=0,ga=1,F="",I=k?"":null,H=L(1,0),fa=b.length,t=0;t<fa;t++){switch((B=b.charAt(t)).charCodeAt(0)){case 59:break;case 39:case 32:case 123:case 125:case 33:continue;case 45:j=!0;continue;case 43:j=!1;continue;
case 47:D=0;h=!0;continue;case 120:case 121:case 122:case 117:case 118:case 119:case 97:case 98:case 99:case 100:case 101:case 102:case 103:case 104:C=y*s;h="x"<=B?B.charCodeAt(0)-120:"u"<=B?B.charCodeAt(0)-117:B.charCodeAt(0)-97+q;g=C+h;j=j?-1:1;d&&0!=A?(null!=c&&(c[g]=A),j=x(A),A=0):null!=c&&(c[g]=j);null!=I&&(F+=JS.SymmetryOperation.plusMinus(F,j,a[h],!1));break;case 44:if(0!=u){if(0<u){w=t;t=u-1;u=-t;D=A=0;continue}u=t+1;t=w}A=JS.SymmetryOperation.normalizeTwelfths(A,0==D?12:0==p?D:p,n);null!=
c&&(c[C+s-1]=0==p&&0<D?A=JS.SymmetryOperation.toDivisor(z,D):A);null!=I&&(F+=JS.SymmetryOperation.xyzFraction12(A,0==p?D:p,!1,e),I+=(""===I?"":",")+F);if(y==s-2)return k?I:"ok";D=z=A=0;F="";C+=4;if(2<y++&&0==m)return JU.Logger.warn("Symmetry Operation? "+b),null;break;case 46:l=!0;ga=1;continue;case 48:if(!l&&12==p&&(h||!d))continue;default:var M=B.charCodeAt(0)-48;if(0<=M&&9>=M){if(l){ga/=10;0>A&&(j=!0);A+=ga*M*(j?-1:1);continue}if(h){H[0]=t;D=JU.PT.parseIntNext(b,H);if(0>D)return null;t=H[0]-1;
0==A?null!=c&&(c[g]/=D):(z=x(A),A/=D)}else A=10*A+(j?-1:1)*M}else JU.Logger.warn("symmetry character?"+B)}l=h=j=!1}return null},"JS.SymmetryOperation,~S,~A,~B,~B,~B,~S");c.replaceXn=e(c,"replaceXn",function(a,b){for(var c=b;0<=--c;)a=JU.PT.rep(a,JS.SymmetryOperation.labelsXn[c],JS.SymmetryOperation.labelsXnSub[c]);return a},"~S,~N");c.toDivisor=e(c,"toDivisor",function(a,b){var c=x(a);c!=a&&(c=a-c,b=x(Math.abs(b/c)),c=x(Math.abs(a)/c));return(c<<8)+b},"~N,~N");c.xyzFraction12=e(c,"xyzFraction12",
function(a,b,c,d){if(0==a)return"";12!=b&&(a=x(a),b=a&255,a>>=8);var e=C(b/2);if(c)for(;0>a;)a+=b;else if(d){for(;a>e;)a-=b;for(;a<-e;)a+=b}b=12==b?JS.SymmetryOperation.twelfthsOf(a):0==a?"0":a+"/"+b;return"0"==b.charAt(0)?"":0<a?"+"+b:b},"~N,~N,~B,~B");c.twelfthsOf=e(c,"twelfthsOf",function(a){var b="";0>a&&(a=-a,b="-");var c=12,d=Math.round(a);if(0.01<Math.abs(d-a)){a/=12;for(c=3;20>c;c++){var e=a*c,d=Math.round(e);if(0.01>Math.abs(d-e))break}if(20==c)return b+a}else{if(12==d)return b+"1";if(12>
d)return b+JS.SymmetryOperation.twelfths[d%12];switch(d%12){case 0:return b+C(d/12);case 2:case 10:c=6;break;case 3:case 9:c=4;break;case 4:case 8:c=3;break;case 6:c=2}d=C(d*c/12)}return b+d+"/"+c},"~N");c.plusMinus=e(c,"plusMinus",function(a,b,c,d){var e=Math.abs(b);return(1E-4>e?"":(0>b?"-":0==a.length?"":"+")+(0.9999<e&&1.0001>=e?"":0.001<e%1&&d?JS.SymmetryOperation.twelfthsOf(12*e):""+x(e)))+c},"~S,~N,~S,~B");c.normalizeTwelfths=e(c,"normalizeTwelfths",function(a,b,c){a*=b;var d=C(b/2);if(c){for(;a>
d;)a-=b;for(;a<=-d;)a+=b}return a},"~N,~N,~B");c.getXYZFromMatrix=e(c,"getXYZFromMatrix",function(a,b,c,d){return JS.SymmetryOperation.getXYZFromMatrixFrac(a,b,c,d,!1,null)},"JU.M4,~B,~B,~B");c.getXYZFromMatrixFrac=e(c,"getXYZFromMatrixFrac",function(a,b,c,d,e,k){var g="",h=Y(a,"JS.SymmetryOperation")?a:null;if(null!=h&&0<h.modDim)return JS.SymmetryOperation.getXYZFromRsVs(h.rsvs.getRotation(),h.rsvs.getTranslation(),b);var h=F(4,0),l=x(a.getElement(3,3));1==l?l=12:a.setElement(3,3,1);k=JS.SymmetryOperation.getLabels(k,
JS.SymmetryOperation.labelsXYZ);for(var j=0;3>j;j++){var m=3>j?0:3;a.getRow(j,h);for(var s="",p=0;3>p;p++){var n=h[p];0!=JS.SymmetryOperation.approx(n)&&(s+=JS.SymmetryOperation.plusMinus(s,n,k[p+m],e))}if(0!=(b?h[3]:JS.SymmetryOperation.approx(h[3])))m=JS.SymmetryOperation.xyzFraction12(b?h[3]:h[3]*l,l,c,d),""===s&&(m="+"==m.charAt(0)?m.substring(1):m),s+=m;g+=","+(""===s?"0":s)}return g.substring(1)},"JU.M4,~B,~B,~B,~B,~S");c.getLabels=e(c,"getLabels",function(a,b){return null==a?b:"uvw".equals(a)?
JS.SymmetryOperation.labelsUVW:JS.SymmetryOperation.labelsXYZ},"~S,~A");e(c,"rotateAxes",function(a,b,c,d){var e=Array(3);this.getRotationScale(d);for(var k=a.length;0<=--k;)c.setT(a[k]),b.toFractional(c,!0),d.rotate(c),b.toCartesian(c,!0),e[k]=JU.V3.newV(c);return e},"~A,JS.UnitCell,JU.P3,JU.M3");c.fcoord=e(c,"fcoord",function(a,b){return JS.SymmetryOperation.opF(a.x)+b+JS.SymmetryOperation.opF(a.y)+b+JS.SymmetryOperation.opF(a.z)},"JU.T3,~S");c.approx=e(c,"approx",function(a){return JU.PT.approx(a,
100)},"~N");c.approx6=e(c,"approx6",function(a){return JU.PT.approx(a,1E6)},"~N");c.getXYZFromRsVs=e(c,"getXYZFromRsVs",function(a,b,c){a=a.getArray();b=b.getArray();for(var d=a.length,e="",k=0;k<d;k++){for(var e=e+",",g=0;g<d;g++){var h=a[k][g];0!=h&&(e+=(0>h?"-":e.endsWith(",")?"":"+")+(1==Math.abs(h)?"":""+Math.abs(h))+"x"+(g+1))}e+=JS.SymmetryOperation.xyzFraction12(C(b[k][0]*(c?1:12)),12,!1,!0)}return JU.PT.rep(e.substring(1),",+",",")},"JU.Matrix,JU.Matrix,~B");e(c,"getMagneticOp",function(){return 2147483647==
this.magOp?this.magOp=x(null!=this.spinU?1:this.determinant3()*this.timeReversal):this.magOp});e(c,"setTimeReversal",function(a){this.timeReversal=a;0<=this.xyz.indexOf("m")&&(this.xyz=this.xyz.substring(0,this.xyz.indexOf("m")));0!=a&&(this.xyz+=1==a?",m":",-m")},"~N");e(c,"getCentering",function(){this.isFinalized||this.doFinalize();null==this.centering&&!this.unCentered&&(0==this.modDim&&1==this.m00&&1==this.m11&&1==this.m22&&0==this.m01&&0==this.m02&&0==this.m10&&0==this.m12&&0==this.m20&&0==
this.m21&&(0!=this.m03||0!=this.m13||0!=this.m23)?(this.isCenteringOp=!0,this.centering=JU.V3.new3(this.m03,this.m13,this.m23)):(this.unCentered=!0,this.centering=null));return this.centering});e(c,"fixMagneticXYZ",function(a,b){if(null!=this.spinU)return b+JS.SymmetryOperation.getSpecialString(this.spinU,"u","v","w");if(0==this.timeReversal)return b;var c=b.indexOf("m"),c=c-C((3-this.timeReversal)/2);b=0>c?b:b.substring(0,c);c=JU.M4.newM4(a);c.m03=c.m13=c.m23=0;0>this.getMagneticOp()&&c.scale(-1);
return b+JS.SymmetryOperation.getSpecialString(c,"mx","my","mz")},"JU.M4,~S");c.getSpecialString=e(c,"getSpecialString",function(a,b,c,d){return"("+JU.PT.rep(JU.PT.rep(JU.PT.rep(JS.SymmetryOperation.getXYZFromMatrix(a,!1,!1,!1),"x",b),"y",c),"z",d)+")"},"JU.M4,~S,~S,~S");e(c,"getInfo",function(){null==this.info&&(this.info=new java.util.Hashtable,this.info.put("xyz",this.xyz),null!=this.centering&&this.info.put("centering",this.centering),this.info.put("index",Integer.$valueOf(this.number-1)),this.info.put("isCenteringOp",
Boolean.$valueOf(this.isCenteringOp)),null!=this.linearRotTrans&&this.info.put("linearRotTrans",this.linearRotTrans),this.info.put("modulationDimension",Integer.$valueOf(this.modDim)),this.info.put("matrix",JU.M4.newM4(this)),3.4028235E38!=this.magOp&&this.info.put("magOp",Float.$valueOf(this.magOp)),this.info.put("id",Integer.$valueOf(this.opId)),0!=this.timeReversal&&this.info.put("timeReversal",Integer.$valueOf(this.timeReversal)),null!=this.spinU&&this.info.put("spinU",this.spinU),null!=this.xyzOriginal&&
this.info.put("xyzOriginal",this.xyzOriginal));return this.info});c.normalizeOperationToCentroid=e(c,"normalizeOperationToCentroid",function(a,b,c,d,e){if(!(0>=e)){var k=0,g=0,h=0;null==JS.SymmetryOperation.atomTest&&(JS.SymmetryOperation.atomTest=new JU.P3);for(var l=d+e;d<l;d++)b.rotTrans2(c[d],JS.SymmetryOperation.atomTest),k+=JS.SymmetryOperation.atomTest.x,g+=JS.SymmetryOperation.atomTest.y,h+=JS.SymmetryOperation.atomTest.z;k/=e;g/=e;for(h/=e;-0.001>k||1.001<=k;)b.m03+=0>k?1:-1,k+=0>k?1:-1;
if(1<a)for(;-0.001>g||1.001<=g;)b.m13+=0>g?1:-1,g+=0>g?1:-1;if(2<a)for(;-0.001>h||1.001<=h;)b.m23+=0>h?1:-1,h+=0>h?1:-1}},"~N,JU.M4,~A,~N,~N");c.getLatticeCentering=e(c,"getLatticeCentering",function(a){for(var b=new JU.Lst,c=0;c<a.length;c++){var d=null==a[c]?null:a[c].getCentering();null!=d&&b.addLast(JU.P3.newP(d))}return b},"~A");e(c,"getOpIsCCW",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opIsCCW});e(c,"getOpType",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opType});
e(c,"getOpOrder",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opOrder});e(c,"getOpPoint",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opPoint});e(c,"getOpAxis",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opAxis});e(c,"getOpPoint2",function(){return this.opPoint2});e(c,"getOpTrans",function(){-1==this.opType&&this.setOpTypeAndOrder();return null==this.opTrans?this.opTrans=new JU.V3:this.opTrans});c.opGet3code=e(c,"opGet3code",function(a){for(var b=
0,c=F(4,0),d=0;3>d;d++){a.getRow(d,c);for(var e=0;3>e;e++)switch(x(c[e])){case 1:b|=e+1<<(2-d<<3);break;case -1:b|=16+e+1<<(2-d<<3)}}return b},"JU.M4");c.opGet3x=e(c,"opGet3x",function(a){if(0!=a.m22)return JS.SymmetryOperation.x;a=JS.SymmetryOperation.opGet3code(a);for(var b=0;8>b;b++)if(a==JS.SymmetryOperation.C3codes[b])return null==JS.SymmetryOperation.xneg&&(JS.SymmetryOperation.xneg=JU.V3.newV(JS.SymmetryOperation.x),JS.SymmetryOperation.xneg.scale(-1)),JS.SymmetryOperation.xneg;return JS.SymmetryOperation.x},
"JU.M4");e(c,"setOpTypeAndOrder",function(){this.clearOp();var a=Math.round(this.determinant3()),b=Math.round(this.m00+this.m11+this.m22),c=0,d=0,e=JS.SymmetryOperation.x;switch(b){case 3:JS.SymmetryOperation.hasTrans(this)?(this.opType=1,this.opTrans=new JU.V3,this.getTranslation(this.opTrans),this.opOrder=2):(this.opType=0,this.opOrder=1);return;case -3:this.opType=4;c=2;break;default:c=b*a+3,5==c&&(c=6),0<a?(this.opType=2,d=C(180*Math.acos((b-1)/2)/3.141592653589793),120==d&&(null==this.opX&&(this.opX=
JS.SymmetryOperation.opGet3x(this)),e=this.opX)):2==c?this.opType=8:(this.opType=6,3==c&&(c=6),d=C(180*Math.acos((-b-1)/2)/3.141592653589793),120==d&&(null==this.opX&&(this.opX=JS.SymmetryOperation.opGet3x(this)),e=this.opX))}this.opOrder=c;var k=new JU.M4,a=new JU.P3,b=JU.P3.newP(e);k.setM4(this);for(var g=new JU.P3,h=JU.P3.newP(b),l=new JU.P3,j=JU.P3.newP(b),m=new JU.P3,s=1;s<c;s++)k.mul(this),this.rotTrans(a),this.rotTrans(b),1==s&&m.setT(b),g.add(a),h.add(b),6==this.opType&&(0==s%2?j.add(b):l.add(b));
this.opTrans=new JU.V3;k.getTranslation(this.opTrans);this.opTrans.scale(1/c);s=JS.SymmetryOperation.approx6(this.opTrans.length());this.opPoint=new JU.P3;var p=null,k=!0;switch(this.opType){case 4:h.add2(b,e);h.scale(0.5);this.opPoint=JU.P3.newP(JS.SymmetryOperation.opClean6(h));k=JS.SymmetryOperation.checkOpPoint(this.opPoint);break;case 6:l.scale(2/c);j.scale(2/c);p=JU.V3.newVsub(l,j);p.normalize();this.opAxis=JS.SymmetryOperation.opClean6(p);g.add2(l,j);h.scale(1/c);this.opPoint.setT(JS.SymmetryOperation.opClean6(h));
k=JS.SymmetryOperation.checkOpPoint(this.opPoint);180!=d&&(b.cross(e,b),this.opIsCCW=Boolean.$valueOf(0>b.dot(p)));break;case 2:p=JU.V3.newVsub(h,g);p.normalize();this.opAxis=JS.SymmetryOperation.opClean6(p);g.scale(1/c);a.setT(g);0<s&&g.sub(this.opTrans);this.opPoint.setT(g);JS.SymmetryOperation.opClean6(this.opPoint);180!=d&&(b.cross(e,b),this.opIsCCW=Boolean.$valueOf(0>b.dot(p)));if(k=(new Boolean(k&JS.SymmetryOperation.checkOpAxis(a,0==s?this.opAxis:this.opTrans,g,new JU.V3,new JU.V3,null))).valueOf())this.opPoint.setT(g),
JS.SymmetryOperation.checkOpAxis(this.opPoint,this.opAxis,b,new JU.V3,new JU.V3,this.opPoint)&&(this.opPoint2=JU.P3.newP(b)),0<s&&(g.scaleAdd2(0.5,this.opTrans,this.opPoint),k=JS.SymmetryOperation.checkOpPoint(g),null!=this.opPoint2&&(g.scaleAdd2(0.5,this.opTrans,this.opPoint2),JS.SymmetryOperation.checkOpPoint(g)||(this.opPoint2=null)),0>p.dot(a)&&(k=!1));break;case 8:a.sub(this.opTrans),a.scale(0.5),this.opPoint.setT(a),m.sub(this.opTrans),this.opAxis=JU.V3.newVsub(m,e),b.scaleAdd2(0.5,this.opAxis,
e),this.opAxis.normalize(),this.opPlane=new JU.P4,a.set(e.x+1.1,e.y+1.7,e.z+2.1),a.scale(0.5),this.rotTrans(a),a.sub(this.opTrans),a.scaleAdd2(0.5,e,a),a.scale(0.5),p=new JU.V3,k=JS.SymmetryOperation.checkOpPlane(this.opPoint,a,b,this.opPlane,p,new JU.V3),JS.SymmetryOperation.opClean6(this.opPlane),0==JS.SymmetryOperation.approx6(this.opPlane.w)&&(this.opPlane.w=0),JS.SymmetryOperation.approx6Pt(this.opAxis),JS.SymmetryOperation.normalizePlane(this.opPlane)}if(0<s){JS.SymmetryOperation.opClean6(this.opTrans);
c=1;if(8==this.opType){if(0==this.opTrans.z&&1.25==this.opTrans.lengthSquared()||0.5==this.opTrans.z&&1.5==this.opTrans.lengthSquared()?(c=1.25,this.opIsLong=!0):c=0.78,this.opGlide=JU.V3.newV(this.opTrans),this.fixNegTrans(this.opGlide),0==this.opGlide.length()&&(this.opGlide=null),(1==this.opTrans.x||1==this.opTrans.y||1==this.opTrans.z)&&-1==this.m22)k=!1}else 0==this.opTrans.z&&1.25==this.opTrans.lengthSquared()&&(c=1.25,this.opIsLong=!0);this.opType|=1;if(Math.abs(JS.SymmetryOperation.approx(this.opTrans.x))>=
c||Math.abs(JS.SymmetryOperation.approx(this.opTrans.y))>=c||Math.abs(JS.SymmetryOperation.approx(this.opTrans.z))>=c)k=!1}else this.opTrans=null;k||(this.isIrrelevant=!0)});e(c,"fixNegTrans",function(a){a.x=JS.SymmetryOperation.normHalf(a.x);a.y=JS.SymmetryOperation.normHalf(a.y);a.z=JS.SymmetryOperation.normHalf(a.z)},"JU.V3");c.normalizePlane=e(c,"normalizePlane",function(a){JS.SymmetryOperation.approx6Pt(a);a.w=JS.SymmetryOperation.approx6(a.w);(0<a.w||0==a.w&&(0>a.x||0==a.x&&0>a.y||0==a.y&&0>
a.z))&&a.scale4(-1);JS.SymmetryOperation.opClean6(a);a.w=JS.SymmetryOperation.approx6(a.w)},"JU.P4");c.isCoaxial=e(c,"isCoaxial",function(a){return 1==Math.abs(JS.SymmetryOperation.approx(a.x))||1==Math.abs(JS.SymmetryOperation.approx(a.y))||1==Math.abs(JS.SymmetryOperation.approx(a.z))},"JU.T3");e(c,"clearOp",function(){this.isFinalized||this.doFinalize();this.isIrrelevant=!1;this.opIsCCW=this.opPlane=this.opPoint=this.opPoint2=this.opTrans=null;this.opIsLong=!1});c.hasTrans=e(c,"hasTrans",function(a){return 0!=
JS.SymmetryOperation.approx6(a.m03)||0!=JS.SymmetryOperation.approx6(a.m13)||0!=JS.SymmetryOperation.approx6(a.m23)},"JU.M4");c.checkOpAxis=e(c,"checkOpAxis",function(a,b,c,d,e,k){null==JS.SymmetryOperation.opPlanes&&(JS.SymmetryOperation.opPlanes=JU.BoxInfo.getBoxFacesFromOABC(null));for(var g=JU.BoxInfo.faceOrder,h=null==k?1:-1,l=0;6>l;l++){var j=JU.Measure.getIntersection(a,b,JS.SymmetryOperation.opPlanes[g[l]],c,d,e);if(null!=j&&JS.SymmetryOperation.checkOpPoint(j)&&0>b.dot(d)*h&&(null==k||0<=
JS.SymmetryOperation.approx(k.distance(j)-0.5)))return!0}return!1},"JU.P3,JU.V3,JU.P3,JU.V3,JU.V3,JU.P3");c.opClean6=e(c,"opClean6",function(a){0==JS.SymmetryOperation.approx6(a.x)&&(a.x=0);0==JS.SymmetryOperation.approx6(a.y)&&(a.y=0);0==JS.SymmetryOperation.approx6(a.z)&&(a.z=0);return a},"JU.T3");c.checkOpPoint=e(c,"checkOpPoint",function(a){return JS.SymmetryOperation.checkOK(a.x,0)&&JS.SymmetryOperation.checkOK(a.y,0)&&JS.SymmetryOperation.checkOK(a.z,0)},"JU.T3");c.checkOK=e(c,"checkOK",function(a,
b){return 0!=b||0<=JS.SymmetryOperation.approx(a)&&1>=JS.SymmetryOperation.approx(a)},"~N,~N");c.checkOpPlane=e(c,"checkOpPlane",function(a,b,c,d,e,k){JU.Measure.getPlaneThroughPoints(a,b,c,e,k,d);b=JU.BoxInfo.unitCubePoints;k=c=0;for(var g=8;0<=--g;){var h=JU.Measure.getPlaneProjection(b[g],d,a,e);switch(x(Math.signum(JS.SymmetryOperation.approx6(h)))){case 1:if(0<k)return!0;c++;break;case -1:if(0<c)return!0;k++}}return!(8==k||8==c)},"JU.P3,JU.P3,JU.P3,JU.P4,JU.V3,JU.V3");c.getAdditionalOperations=
e(c,"getAdditionalOperations",function(a,b){for(var c=a.length,d=new JU.Lst,e=new JU.SB,k=new java.util.Hashtable,g=new JU.V3,h=0;h<c;h++){var l=a[h];l.opPerDim=b;d.addLast(l);var j=l.getOpName(1);e.append(j).appendC(";");0!=(l.getOpType()&8)?JS.SymmetryOperation.addCoincidentMap(k,l,8,g):3==l.getOpType()&&JS.SymmetryOperation.addCoincidentMap(k,l,3,null)}for(h=1;h<c;h++)a[h].addOps(e,d,k,c,h,g);return d.toArray(Array(d.size()))},"~A,~N");e(c,"addOps",function(a,b,c,d,e,k){var g=new JU.V3;this.getTranslation(g);
var h=8==(this.getOpType()&8),l=3==this.getOpType(),j=new JU.V3,m=null,s=5,p=-2,n=5,q=-2,u=5,t=-2;switch(this.opPerDim){case 51:case 34:u=1;t=0;break;case 18:case 19:n=1;q=0;u=1;t=0;break;case 67:s=1;p=0;n=1;q=0;break;case 35:s=1,p=0,u=1,t=0}for(;--s>=p;)for(var w=n;--w>=q;)for(var x=u;--x>=t;)null==m&&(m=new JS.SymmetryOperation(null,0,!1)),j.set(s,w,x),!this.checkOpSimilar(j,k)&&m.opCheckAdd(this,g,d,j,a,b,e+1)&&(h?JS.SymmetryOperation.addCoincidentMap(c,m,8,k):l&&JS.SymmetryOperation.addCoincidentMap(c,
m,3,null),m=null)},"JU.SB,JU.Lst,java.util.Map,~N,~N,JU.V3");c.addCoincidentMap=e(c,"addCoincidentMap",function(a,b,c,d){if(!b.isIrrelevant){var e=b.getOpName(0),k=a.get(e);b.iCoincident=0;c=3==c;if(null==k)a.put(e,k=new JU.Lst);else if(c){if(6==b.opOrder)for(a=k.size();0<=--a;)if(d=k.get(a),!d.isIrrelevant)switch(d.opOrder){case 3:d.isIrrelevant=!0}b.iCoincident=1}else{e=null;for(a=k.size();0<=--a;)if(e=k.get(a),null!=b.opGlide&&null!=e.opGlide){d.sub2(b.opGlide,e.opGlide);if(1E-6>d.lengthSquared()){b.isIrrelevant=
!0;return}d.add2(b.opGlide,e.opGlide);if(1E-6>d.lengthSquared()){b.isIrrelevant=!0;return}d.add2(b.opAxis,e.opAxis);if(1E-6>d.lengthSquared()){b.isIrrelevant=!0;return}}else if(null==b.opGlide&&null==e.opGlide){d.add2(b.opAxis,e.opAxis);if(1E-6>d.lengthSquared()){b.isIrrelevant=!0;return}d.sub2(b.opAxis,e.opAxis);if(1E-6>d.lengthSquared()){b.isIrrelevant=!0;return}}0==e.iCoincident?(b.iCoincident=1,e.iCoincident=-1):b.iCoincident=-e.iCoincident}k.addLast(b)}},"java.util.Map,JS.SymmetryOperation,~N,JU.V3");
e(c,"checkOpSimilar",function(a,b){switch(this.getOpType()&-2){default:return!1;case 0:return!0;case 2:return 0==JS.SymmetryOperation.approx6(a.dot(this.opAxis)-a.length());case 8:return b.cross(a,this.opAxis),0==JS.SymmetryOperation.approx6(b.length())?!1:0==JS.SymmetryOperation.approx6(a.dot(this.opAxis))}},"JU.V3,JU.V3");e(c,"opCheckAdd",function(a,b,c,d,e,k){this.setM4(a);c=JU.V3.newV(d);c.add(b);this.setTranslation(c);this.isFinalized=!0;this.setOpTypeAndOrder();if(this.isIrrelevant||0==this.opType||
1==this.opType)return!1;b=this.getOpName(1)+";";if(0==(this.opType&8)&&0<=e.indexOf(b))return!1;e.append(b);this.spinU=a.spinU;this.timeReversal=a.timeReversal;k.addLast(this);this.isFinalized=!0;this.xyz=JS.SymmetryOperation.getXYZFromMatrix(this,!1,!1,!1);return!0},"JS.SymmetryOperation,JU.V3,~N,JU.V3,JU.SB,JU.Lst,~N");c.approx6Pt=e(c,"approx6Pt",function(a){null!=a&&(a.x=JS.SymmetryOperation.approx6(a.x),a.y=JS.SymmetryOperation.approx6(a.y),a.z=JS.SymmetryOperation.approx6(a.z))},"JU.T3");c.normalize12ths=
e(c,"normalize12ths",function(a){a.x=JU.PT.approx(a.x,12);a.y=JU.PT.approx(a.y,12);a.z=JU.PT.approx(a.z,12)},"JU.V3");e(c,"getCode",function(){if(null!=this.opAxisCode)return this.opAxisCode;var a=this.getOpName(2).charAt(0),b=this.opOrder,c=null==this.opIsCCW?0:this.opIsCCW===Boolean.TRUE?1:2;switch(a.charCodeAt(0)){case 71:a=JS.SymmetryOperation.getGlideFromTrans(this.opTrans,this.opPlane);case 80:JS.SymmetryOperation.isCoaxial(this.opAxis)||(a="P"==a?"p":String.fromCharCode(a.charCodeAt(0)-32));
break;case 83:var d=this.opTrans.length();if(null!=this.opIsCCW&&d<(1<d?6:0.5)==(this.opIsCCW===Boolean.TRUE))a="w";break;case 82:JS.SymmetryOperation.isCoaxial(this.opAxis)||(a="o"),0==this.opPoint.length()&&(a="o"==a?"q":"Q")}return this.opAxisCode=""+a+"."+String.fromCharCode(48+b)+"."+c+"."});c.getGlideFromTrans=e(c,"getGlideFromTrans",function(a,b){var c=Math.abs(JS.SymmetryOperation.approx(12*a.x)),d=Math.abs(JS.SymmetryOperation.approx(12*a.y)),e=Math.abs(JS.SymmetryOperation.approx(12*a.z));
9==c&&(c=3);9==d&&(d=3);9==e&&(e=3);var k=3;0==c&&k--;0==d&&k--;0==e&&k--;e=x(c+d+e);switch(k){default:case 1:return 0!=c?"a":0!=d?"b":"c";case 2:switch(e){case 6:return"d";case 12:if(c=JU.P3.newP(b),c.normalize(),1==Math.abs(JS.SymmetryOperation.approx(c.x+c.y+c.z)))return"n"}break;case 3:switch(e){case 9:return"d";case 18:return"n"}}return"g"},"JU.T3,JU.T3");c.rotateAndTranslatePoint=e(c,"rotateAndTranslatePoint",function(a,b,c,d,e,k){a.rotTrans2(b,k);k.add3(c,d,e)},"JU.M4,JU.P3,~N,~N,~N,JU.P3");
c.transformStr=e(c,"transformStr",function(a,b,c,d,e,k,g,h,l){null==c&&(c=JU.M4.newM4(b),c.invert());null==d&&(d=new JU.M4);null==e&&(e=F(16,0));a=JS.SymmetryOperation.getMatrixFromXYZ(a,e,!0);null!=k&&a.add(k);d.setM4(c);d.mul(a);null!=b&&d.mul(b);null!=g&&a.add(g);if(h){d.getColumn(3,e);for(b=0;3>b;b++)e[b]=(10+e[b])%1;d.setColumnA(3,e)}return JS.SymmetryOperation.getXYZFromMatrixFrac(d,!1,!0,!1,l,null)},"~S,JU.M4,JU.M4,JU.M4,~A,JU.T3,JU.T3,~B,~B");c.stringToMatrix=e(c,"stringToMatrix",function(a,
b){var c=JS.SymmetryOperation.setDivisor(a),d=F(16,0);JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,d,!0,!1,!1,b);return JS.SymmetryOperation.div12(JU.M4.newA16(d),c)},"~S,~S");c.getTransformABC=e(c,"getTransformABC",function(a,b){if(null==a)return"a,b,c";var c=JU.M4.newM4(a),d=new JU.V3;c.getTranslation(d);d.scale(-1);c.add(d);c.transpose();c=JS.SymmetryOperation.getXYZFromMatrixFrac(c,!1,!0,!1,!0,null).$replace("x","a").$replace("y","b").$replace("z","c");if(1E-12>d.lengthSquared())return c;
d.scale(-1);return c+";"+(b?JS.SymmetryOperation.norm3(d):JS.SymmetryOperation.opF(d.x)+","+JS.SymmetryOperation.opF(d.y)+","+JS.SymmetryOperation.opF(d.z))},"~O,~B");c.norm3=e(c,"norm3",function(a){return JS.SymmetryOperation.norm(a.x)+","+JS.SymmetryOperation.norm(a.y)+","+JS.SymmetryOperation.norm(a.z)},"JU.T3");c.norm=e(c,"norm",function(a){return JS.SymmetryOperation.opF(JS.SymmetryOperation.normHalf(a))},"~N");c.normHalf=e(c,"normHalf",function(a){for(;-0.5>=a;)a+=1;for(;0.5<a;)a-=1;return a},
"~N");c.toPoint=e(c,"toPoint",function(a,b){null==b&&(b=new JU.P3);var c=JU.PT.split(a,",");b.set(JU.PT.parseFloatFraction(c[0]),JU.PT.parseFloatFraction(c[1]),JU.PT.parseFloatFraction(c[2]));return b},"~S,JU.P3");c.matrixToRationalString=e(c,"matrixToRationalString",function(a){for(var b="(",c=0;3>c;c++)for(var b=b+"\n",d=0;4>d;d++){0<d&&(b+="\t");3==d&&(b+="|  ");var e=a.getElement(c,d);if(e==x(e))b+=0>e?" "+x(e):"  "+x(e);else{var k=Math.round(48*e);0!=JS.SymmetryOperation.approx6(48*e-k)?b+=e:
(k=JS.SymmetryOperation.opF(e),b+=0<e?" "+k:k)}}return b+"\n)"},"JU.M4");e(c,"toString",function(){return null==this.rsvs?xa(this,JS.SymmetryOperation,"toString",[]):xa(this,JS.SymmetryOperation,"toString",[])+" "+this.rsvs.toString()});e(c,"rotateSpin",function(a){null==this.spinU?this.rotate(a):this.spinU.rotate(a)},"JU.V3");c.staticConvertOperation=e(c,"staticConvertOperation",function(a,b,c){var d=null==b;d&&(b=JS.SymmetryOperation.stringToMatrix(a,c));return"rxyz".equals(c)?JS.SymmetryOperation.matrixToRationalString(b):
d?b:JS.SymmetryOperation.getXYZFromMatrixFrac(b,!1,!1,!1,!0,c)},"~S,JU.M4,~S");c.atomTest=null;c.twelfths=H(-1,"0 1/12 1/6 1/4 1/3 5/12 1/2 7/12 2/3 3/4 5/6 11/12".split(" "));c.labelsXYZ=H(-1,["x","y","z"]);c.labelsUVW=H(-1,["u","v","w"]);c.labelsXn=H(-1,"x1 x2 x3 x4 x5 x6 x7 x8 x9 x10 x11 x12 x13".split(" "));c.labelsXnSub=H(-1,"xyzabcdefghij".split(""));c.x=JU.P3.new3(3.141592653589793,2.718281828459045,8.539734222673566);c.C3codes=L(-1,[200978,1184513,1245458,135953,1245442,131857,200962,1180417]);
c.xneg=null;c.opPlanes=null});ca("JS");ja(null,"JS.SymmetryInfo",["JU.PT","JS.SpaceGroup","$.SymmetryOperation","JU.SimpleUnitCell"],function(){var c=O(function(){this.isCurrentCell=!0;this.displayName=null;this.isMultiCell=this.coordinatesAreFractional=!1;this.cellRange=this.infoStr=this.additionalOperations=this.symmetryOperations=this.sgTitle=this.sgName=null;this.latticeType="P";this.intlTableJmolId=this.intlTableNo=null;this.spaceGroupIndex=0;this.itaNo=this.sgDerived=this.intlTableTransform=
this.intlTableIndexNdotM=this.strSUPERCELL=this.spaceGroupF2CParams=this.spaceGroupF2C=this.spaceGroupF2CTitle=null;P(this,arguments)},JS,"SymmetryInfo",null);e(c,"setSymmetryInfoFromModelkit",function(a){this.cellRange=null;this.sgName=a.getName();this.intlTableJmolId=a.jmolId;this.intlTableNo=a.itaNumber;this.latticeType=a.latticeType;this.symmetryOperations=a.finalOperations;this.coordinatesAreFractional=!0;this.setInfo(a.getOperationCount())},"JS.SpaceGroup");e(c,"setSymmetryInfoFromFile",function(a,
b){this.spaceGroupIndex=a.remove("spaceGroupIndex").intValue();this.cellRange=a.remove("ML_unitCellRange");this.sgName=a.get("spaceGroup");this.spaceGroupF2C=a.remove("f2c");this.spaceGroupF2CTitle=a.remove("f2cTitle");this.spaceGroupF2CParams=a.remove("f2cParams");this.sgTitle=a.remove("spaceGroupTitle");this.strSUPERCELL=a.remove("supercell");if(null==this.sgName||""===this.sgName)this.sgName="spacegroup unspecified";this.intlTableNo=a.get("intlTableNo");this.intlTableIndexNdotM=a.get("intlTableIndex");
this.intlTableTransform=a.get("intlTableTransform");this.intlTableJmolId=a.remove("intlTableJmolId");var c=a.get("latticeType");this.latticeType=null==c?"P":c.charAt(0);this.symmetryOperations=a.remove("symOpsTemp");this.isMultiCell=(this.coordinatesAreFractional=a.containsKey("coordinatesAreFractional")?a.get("coordinatesAreFractional").booleanValue():!1)&&null!=this.symmetryOperations;null==b&&(b=a.get("unitCellParams"));b=JU.SimpleUnitCell.isValid(b)?b:null;null==b&&(this.coordinatesAreFractional=
!1,this.cellRange=this.symmetryOperations=null,this.infoStr="",a.remove("unitCellParams"));c=a.containsKey("symmetryCount")?a.get("symmetryCount").intValue():0;this.setInfo(c);return b},"java.util.Map,~A");e(c,"setInfo",function(a){var b="Spacegroup: "+this.sgName;if(null!=this.symmetryOperations){for(var c="",d="\nNumber of symmetry operations: "+(0==a?1:a)+"\nSymmetry Operations:",e=0;e<a;e++){var k=this.symmetryOperations[e],d=d+("\n"+k.fixMagneticXYZ(k,k.xyz));k.isCenteringOp&&(c+=" ("+JU.PT.rep(JU.PT.replaceAllCharacters(k.xyz,
"xyz","0"),"0+","")+")")}0<c.length&&(b+="\nCentering: "+c);b=b+d+"\n"}this.infoStr=b},"~N");e(c,"getAdditionalOperations",function(){null==this.additionalOperations&&null!=this.symmetryOperations&&(this.additionalOperations=JS.SymmetryOperation.getAdditionalOperations(this.symmetryOperations,115));return this.additionalOperations});e(c,"getDerivedSpaceGroup",function(){null==this.sgDerived&&(this.sgDerived=JS.SpaceGroup.getSpaceGroupFromIndex(this.spaceGroupIndex));return this.sgDerived});e(c,"setIsCurrentCell",
function(a){return this.isCurrentCell!=a&&!0==(this.isCurrentCell=a)},"~B");e(c,"getSpaceGroupTitle",function(){return this.isCurrentCell&&null!=this.spaceGroupF2CTitle?this.spaceGroupF2CTitle:this.sgName.startsWith("cell=")?this.sgName:this.sgTitle});e(c,"getDisplayName",function(a){if(null==this.displayName){var b=a.isPolymer(),c=a.isSlab();a=b?"polymer":c?"slab":this.getSpaceGroupTitle();if(null==a)return null;a.startsWith("cell=!")&&(a="cell=inverse["+a.substring(6)+"]");a=JU.PT.rep(a,";0,0,0",
"");if(0>a.indexOf("#")){var d=this.intlTableTransform,e=this.intlTableIndexNdotM;!c&&(!b&&null!=e)&&(null!=d&&(b=a.indexOf(d),0<=b&&(a=JU.PT.rep(a,"("+d+")","")),0>e.indexOf(d)&&(b=e.indexOf("."),0<b&&(e=e.substring(0,b)),e+=":"+d)),a=(a.startsWith("0")?"":a.equals("unspecified!")?"#":a+" #")+e)}0<=a.indexOf("-- [--]")&&(a="");this.displayName=a}return this.displayName},"JS.Symmetry");e(c,"getClegId",function(){if(null==this.itaNo){this.itaNo=this.intlTableIndexNdotM;if(null==this.itaNo||0<this.itaNo.indexOf(":"))return this.itaNo;
var a=this.itaNo.indexOf(".");this.itaNo=(0<a?this.itaNo.substring(0,a):this.itaNo)+":"+this.intlTableTransform}return this.itaNo})});ca("JS");ja(["JU.P3","$.V3"],"JS.SymmetryDesc","java.util.Hashtable JU.A4 $.BS $.Lst $.M3 $.M4 $.Measure $.P4 $.PT $.Quat $.SB JS.T JS.SpaceGroup $.Symmetry $.SymmetryOperation JU.Escape $.Logger".split(" "),function(){var c=O(function(){this.drawID=this.modelSet=null;P(this,arguments)},JS,"SymmetryDesc",null);e(c,"set",function(a){this.modelSet=a;return this},"JM.ModelSet");
e(c,"getSymopInfoForPoints",function(a,b,c,d,e,k,g,h,l,j,m,s){d=s.get(22)||s.get(3)&&3==s.cardinality();s.clear(22);var p=d?"":null;k=this.getSpaceGroupInfo(a,b,null,c,e,k,g,l,j,!1,!0,m,null,s);if(null==k)return p;a=k.get("operations");if(null==a)return p;b=d?new JU.SB:null;c--;e=!d&&0>c;k=k.get("symmetryInfo");j="label".equals(h);for(l=h=0;l<a.length;l++)if(!(null==a[l]||0<=c&&c!=l))if(d){if(null!=g)return a[l][3]+"\nprint "+JU.PT.esc(k);0<b.length()&&b.appendC("\n");j||(0>c&&b.appendI(l+1).appendC("\t"),
b.append(a[l][0]).appendC("\t"));b.append(a[l][2])}else{if(!e)return a[l];a[h++]=a[l]}if(!d){c=Array(h);for(l=0;l<h;l++)c[l]=a[l];return c}return 0==b.length()?null!=g?'draw ID "'+g+'*" delete':p:b.toString()},"J.api.SymmetryInterface,~N,~N,JU.P3,JU.P3,JU.P3,~S,~S,~N,~N,~N,JU.BS");e(c,"getDrawID",function(a){return this.drawID+a+'" '},"~S");e(c,"getSymopInfo",function(a,b,c,d,e,k,g,h,l,j,m,s){0==h&&(h=JS.SymmetryDesc.getType(g));var p=1153433601==h?new JU.BS:"",n=0<=a?this.modelSet.at[a].mi:this.modelSet.vwr.am.cmi;
if(0>n)return p;var q=this.modelSet.am[n].biosymmetry;if(null==q&&null==(q=this.modelSet.getUnitCell(n)))q=(new JS.Symmetry).setUnitCellFromParams(null,!1,NaN);if(135176!=h||2147483647!=c&&null==s)return this.getSymmetryInfo(n,a,q,b,c,d,e,k,g,h,l,j,m,!1);if(null==q)return p;h="";c=null==b&&(0>j&&null==s)&&-2==j?q.getAdditionalOperations():q.getSymmetryOperations();if(null!=c)if(null==g&&(g="sg"),p=c.length,null!=e&&null==k||null!=s){null==s&&(s=q.getInvariantSymops(e,null));for(var p=s.length,u=0;u<
p;u++)0<j&&j!=u+1||(c=s[u],h+=this.getSymmetryInfo(n,a,q,b,c,d,e,k,g+c,135176,l,j,m,null==e))}else for(c=1;c<=p;c++)h+=this.getSymmetryInfo(n,a,q,b,c,d,e,k,g+c,135176,l,j,m,!0);return h},"~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");e(c,"getSpaceGroupInfo",function(a,b,c,d,e,k,g,h,l,j,m,s,p,n){null==n&&(n=new JU.BS,n.setBits(0,JS.SymmetryDesc.keys.length),n.clear(19));var q=a.getDimensionality(),u=1==n.cardinality()&&n.get(10),t=null,w=!u&&null==e&&null==g&&0>=l&&n.cardinality()>=JS.SymmetryDesc.keys.length,
x=!1,y=null,B=null!=c&&0<c.length,A=B&&0<=c.indexOf("[--]");if(m||!B){var D=w&&0==d;if(u)p=a;else{0>b&&(b=Y(e,"JM.Atom")?e.mi:this.modelSet.vwr.am.cmi);if(0>b)y="no single current model";else if(null==p&&!(x=null!=(p=this.modelSet.am[b].biosymmetry))&&null==(p=this.modelSet.getUnitCell(b)))y="not applicable";null!=y?(t=new java.util.Hashtable,t.put("spaceGroupInfo",""),t.put("spaceGroupNote",y),t.put("symmetryInfo","")):w&&(t=this.modelSet.getInfo(b,"spaceGroupInfo"));if(null!=t)return t;c=p.getSpaceGroupName()}var t=
new java.util.Hashtable,y=p.getSymmetryOperations(),z=x?p.spaceGroup:null,w=A?"":null,C=0;if(null!=y){u||(x?a.setSpaceGroupTo(JS.SpaceGroup.getNull(!1,!1,!1)):a.setSpaceGroup(!1));for(var F=Array(y.length),I="",H=null==g||null==e||null==k&&0>l?0:1,L=0;H<y.length&&L!=l;H++){var M=y[H],E=M.xyzOriginal,U=M.spinU,O=M.timeReversal,Z;if(u)Z=H;else{Z=!(0==H&&0<=M.xyz.indexOf("x4"))&&null!=a.getSpaceGroupOperation(H)?H:x?a.addBioMoleculeOperation(z.finalOperations[H],!1):a.addSpaceGroupOperation("="+M.xyz,
H+1);if(0>Z)continue;M=a.getSpaceGroupOperation(H);if(null==M)continue;M.xyzOriginal=E;M.spinU=U;M.timeReversal=O}null!=w&&(w+=";"+M.xyz);M=0<d&&d-1!=Z?null:this.createInfoArray(M,p,e,k,g,h,s,!1,n,!1,!1,q);if(null!=M&&(L++,!(0<l&&L!=l)&&(F[H]=M,u||(I+="\n"+(H+1)+(null!=g&&1==L?"*":"")+"\t"+M[n.get(19)?19:0]+"\t  "+M[2]),C++,0<d)))break}t.put("operations",F);u||t.put("symmetryInfo",0==I.length?"":I.substring(1))}if(u)return t;y=0==C?"\n no symmetry operations":0>=l&&0>=d?"\n"+C+" symmetry operation"+
(1==C?":\n":"s:\n"):"";null!=w&&(c=w.substring(w.indexOf(";")+1));D&&this.modelSet.setInfo(b,"spaceGroupInfo",t)}else t=new java.util.Hashtable;t.put("spaceGroupName",c);t.put("spaceGroupNote",null==y?"":y);if(x)a=c;else if(B&&!A&&a.setSpaceGroupName(c),a=a.getSpaceGroupInfoObj(c,null==p?null:p.getUnitCellParams(),j,!m),null==a||a.equals("?"))a="?",t.put("spaceGroupNote","could not identify space group from name: "+c+'\nformat: show spacegroup "2" or "P 2c" or "C m m m" or "x, y, z;-x ,-y, -z"\n');
t.put("spaceGroupInfo",a);return t},"J.api.SymmetryInterface,~N,~S,~N,JU.P3,JU.P3,~S,~N,~N,~B,~B,~N,J.api.SymmetryInterface,JU.BS");e(c,"getTransform",function(a,b,c,d,e){JS.SymmetryDesc.pta02.setT(d);JS.SymmetryDesc.vtrans.setT(JS.SymmetryDesc.pta02);a.unitize(JS.SymmetryDesc.pta02);d=3.4028235E38;for(var k=-1,g=0,h=b.length;g<h;g++){var l=b[g];JS.SymmetryDesc.pta01.setT(c);l.rotTrans(JS.SymmetryDesc.pta01);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);var j=
JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);if(1.96E-6>j){JS.SymmetryDesc.vtrans.sub(JS.SymmetryDesc.ptemp);JS.SymmetryOperation.normalize12ths(JS.SymmetryDesc.vtrans);l=JU.M4.newM4(l);l.add(JS.SymmetryDesc.vtrans);JS.SymmetryDesc.pta01.setT(c);l.rotTrans(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);j=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);if(1.96E-6<=j)continue;return l}j<d&&(d=j,k=g)}e&&(l=b[k],JS.SymmetryDesc.pta01.setT(c),l.rotTrans(JS.SymmetryDesc.pta01),
a.unitize(JS.SymmetryDesc.pta01));return null},"JS.UnitCell,~A,JU.P3,JU.P3,~B");c.getType=e(c,"getType",function(a){var b;if(null==a)return 1073742001;switch(a.toLowerCase()){case "xyzoriginal":return 1073742078;case "matrix":return 12;case "description":return 1825200146;case "axispoint":return 134217751;case "time":return 268441089;case "info":return 1275068418;case "element":return 1086326789;case "invariant":return 36868}b=JS.T.getTokFromName(a);if(0!=b)return b;b=JS.SymmetryDesc.getKeyType(a);
return 0>b?b:1073742327},"~S");c.getKeyType=e(c,"getKeyType",function(a){"type".equals(a)&&(a="_type");for(var b=0;b<JS.SymmetryDesc.keys.length;b++)if(a.equalsIgnoreCase(JS.SymmetryDesc.keys[b]))return-1-b;return 0},"~S");c.nullReturn=e(c,"nullReturn",function(a){switch(a){case 135176:return";draw ID sym* delete;draw ID sg* delete;";case 1073741961:case 1825200146:case 1073741974:case 1145047049:case 1145047053:case 11:case 1073742078:case 1145045003:case 1611141175:return"";case 1153433601:return new JU.BS;
default:return null}},"~N");c.getInfo=e(c,"getInfo",function(a,b){if(0==a.length)return"";if(0>b&&-b<=JS.SymmetryDesc.keys.length&&-b<=a.length)return a[-1-b];switch(b){case 1073742327:case 1073741982:return a;case 1275068418:for(var c=new java.util.Hashtable,d=0,e=a.length;d<e;d++){var k=3==d?"draw":7==d?"axispoint":JS.SymmetryDesc.keys[d];null!=a[d]&&c.put(k,a[d])}return c;case 1073742001:return a[16]+"\t"+a[0]+"  \t"+a[2];case 1073741961:return a[0]+"  \t"+a[2];case 1145047049:return a[0];case 1145047053:return a[19];
case 1073742078:return a[1];default:case 1825200146:return a[2];case 134217764:if(!JU.Logger.debugging)return a[3];case 135176:return a[3]+"\nprint "+JU.PT.esc(a[0]+" "+a[2]);case 1145047050:return a[4];case 1073742178:return a[5];case 12289:return a[6];case 134217751:return a[7];case 1611141175:return a[20];case 1073741854:return a[8];case 134217729:return a[9];case 1145045003:case 12:return a[10];case 1814695966:return a[11];case 4160:return a[12];case 268441089:return a[13];case 134217750:return a[14];
case 1140850696:return a[15];case 1073741974:return a[16];case 1086326789:return H(-1,[a[6],a[7],a[8],a[14],a[5]]);case 36868:return null!=a[6]?a[6]:null!=a[8]?H(-1,[a[7],a[8],a[5]]):null!=a[5]?"none":null!=a[14]?a[14]:"identity"}},"~A,~N,~N");c.getInfoBS=e(c,"getInfoBS",function(a){var b=new JU.BS;if(0>a&&-a<=JS.SymmetryDesc.keys.length)return b.set(-1-a),b;switch(a){case 0:case 1153433601:case 1073742001:case 1073742327:case 1073741982:case 1275068418:b.setBits(0,JS.SymmetryDesc.keys.length);break;
case 1073741961:b.set(0);b.set(2);break;case 1145047049:b.set(0);break;case 1145047053:b.set(19);break;case 1073742078:b.set(1);break;default:case 1825200146:b.set(2);break;case 135176:b.set(0);b.set(2);b.set(3);break;case 1145047050:b.set(4);break;case 1073742178:b.set(5);break;case 12289:b.set(6);break;case 134217751:b.set(7);break;case 1611141175:b.set(20);break;case 1073741854:b.set(8);break;case 134217729:b.set(9);break;case 12:b.set(10);break;case 1814695966:b.set(11);break;case 4160:b.set(12);
break;case 268441089:b.set(13);break;case 134217750:b.set(14);break;case 1140850696:b.set(15);break;case 1073741974:b.set(16);break;case 1086326789:case 36868:b.set(5),b.set(6),b.set(7),b.set(8),b.set(14),b.set(23)}return b},"~N");e(c,"createInfoArray",function(a,b,c,d,e,k,g,h,l,j,m,n){a.isFinalized||a.doFinalize();var p=(new Boolean(l.get(10)&l.cardinality()==(l.get(24)?2:1))).valueOf(),v=-1==a.timeReversal,q=null!=a.spinU;0==k&&(k=1);JS.SymmetryDesc.vtrans.set(0,0,0);var u=null,t=null==c||Float.isNaN(c.x)?
b.getCartesianOffset():c;if(null!=d){JS.SymmetryDesc.pta01.setT(t);JS.SymmetryDesc.pta02.setT(d);b.toFractional(JS.SymmetryDesc.pta01,!1);b.toFractional(JS.SymmetryDesc.pta02,!1);a.rotTrans(JS.SymmetryDesc.pta01);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta01);b.unitize(JS.SymmetryDesc.pta01);JS.SymmetryDesc.vtrans.setT(JS.SymmetryDesc.pta02);b.unitize(JS.SymmetryDesc.pta02);if(1.96E-6<=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02))return null;JS.SymmetryDesc.vtrans.sub(JS.SymmetryDesc.ptemp)}var w=
JU.M4.newM4(a);w.add(JS.SymmetryDesc.vtrans);l.get(10)&&(null!=d&&t.equals(d))&&(w.m00=Math.round(w.m00),w.m01=Math.round(w.m01),w.m02=Math.round(w.m02),w.m03=Math.round(w.m03),w.m10=Math.round(w.m10),w.m11=Math.round(w.m11),w.m12=Math.round(w.m12),w.m13=Math.round(w.m13),w.m20=Math.round(w.m20),w.m21=Math.round(w.m21),w.m22=Math.round(w.m22),w.m23=Math.round(w.m23));var F=0!=a.timeReversal||null!=a.spinU;if(p&&!F){var y=JS.SymmetryDesc.getKeyType("matrix"),B=Array(-y);B[-1-y]=l.get(24)?JS.SymmetryOperation.matrixToRationalString(w):
w;return B}var A=new JU.V3;JS.SymmetryDesc.pta01.set(1,0,0);JS.SymmetryDesc.pta02.set(0,1,0);var D=JU.P3.new3(0,0,1);JS.SymmetryDesc.pta01.add(t);JS.SymmetryDesc.pta02.add(t);D.add(t);var z=JS.SymmetryDesc.rotTransCart(a,b,t,JS.SymmetryDesc.vtrans),H=JS.SymmetryDesc.rotTransCart(a,b,JS.SymmetryDesc.pta01,JS.SymmetryDesc.vtrans),L=JS.SymmetryDesc.rotTransCart(a,b,JS.SymmetryDesc.pta02,JS.SymmetryDesc.vtrans),I=JS.SymmetryDesc.rotTransCart(a,b,D,JS.SymmetryDesc.vtrans),O=JU.V3.newVsub(H,z),fa=JU.V3.newVsub(L,
z),M=JU.V3.newVsub(I,z);JS.SymmetryOperation.approx6Pt(JS.SymmetryDesc.vtrans);var E=new JU.V3;E.cross(O,fa);var U=0>E.dot(M);U&&(H.sub2(z,O),L.sub2(z,fa),I.sub2(z,M));var P=JU.Quat.getQuaternionFrame(z,H,L).div(JU.Quat.getQuaternionFrame(t,JS.SymmetryDesc.pta01,JS.SymmetryDesc.pta02)),Z=JU.Quat.new4(P.q1,P.q2,P.q3,P.q0),V=JU.Measure.computeHelicalAxis(t,z,Z),N=JU.P3.newP(V[0]),R=JU.P3.newP(V[1]),aa=x(Math.abs(JU.PT.approx(V[3].x,1))),Q=JS.SymmetryOperation.approx(V[3].y);U&&(H.add2(z,O),L.add2(z,
fa),I.add2(z,M));var S=JU.V3.newVsub(z,t);0.1>S.length()&&(S=null);var T=null,X=null,K=null,$=null,ca=0,ja=0,ka=0==aa,da=!ka,oa=!1,ya=!1,Ea=!da&&!U;if(da||U)S=null;var za=!1,Ra=b.getPeriodicity(),Sa=j&&0==(Ra&1),Ma=j&&0==(Ra&2),Ga=j&&0==(Ra&4),$=JU.V3.new3(0,0,1);if(3==n)switch(Ra){case 1:$=JU.V3.new3(1,0,0);za=!0;break;case 2:za=!0;$=JU.V3.new3(0,1,0);break;case 4:za=!0}var Fa=!(Sa||Ma||Ga),Aa=Math.abs(R.dot($)/$.length()/R.length());0.001>Math.abs(Aa-1)?(za=!1,$=null):Fa=!za;if(U&&ka)X=JU.P3.newP(t),
X.add(z),X.scale(0.5),T=z,oa=!0;else if(U){var wa=0==Q?new JU.V3:R,Na=0;switch(aa){case 60:Na=0.6666667;break;case 120:Na=2;break;case 90:Na=1;break;case 180:K=JU.P3.newP(t);K.add(wa);N.scaleAdd2(0.5,wa,t);0.1<K.distance(z)?(S=JU.V3.newVsub(z,K),A.setT(S),b.toFractional(A,!0)):S=null;E.setT(R);E.normalize();ca=-E.x*N.x-E.y*N.y-E.z*N.z;u=JU.P4.new4(E.x,E.y,E.z,ca);ja=0.01>Math.abs(ca)&&0.4<E.x*E.y?1.3:1.05;U=da=!1;ya=!0;if(Ga&&($=JU.V3.newVsub(t,D),Aa=Math.abs(R.dot($)/$.length()/R.length()),Ga=0.001>
Aa))$.scale(0.5),b.toCartesian($,!0);if(Ma){var la=JU.V3.newVsub(t,JS.SymmetryDesc.pta02),Aa=za?0:Math.abs(R.dot(la)/la.length()/R.length());if(Ma=0.001>Aa)la.scale(0.5),b.toCartesian(la,!0),Ga?$.add(la):$=la}if(Sa&&(la=JU.V3.newVsub(t,JS.SymmetryDesc.pta01),Aa=za?0:Math.abs(R.dot(la)/la.length()/R.length()),Sa=0.001>Aa))la.scale(0.5),b.toCartesian(la,!0),Ma||Ga?$.add(la):$=la;break;default:U=!1}0!=Na&&(E.sub2(t,N),E.add(z),E.sub(N),E.sub(wa),E.scale(Na),N.add(E),X=new JU.P3,X.scaleAdd2(0.5,wa,N),
T=new JU.P3,T.scaleAdd2(-2,X,z),T.scale(-1))}else null!=S&&(JS.SymmetryDesc.ptemp.setT(S),b.toFractional(JS.SymmetryDesc.ptemp,!1),A.setT(JS.SymmetryDesc.ptemp),b.toCartesian(JS.SymmetryDesc.ptemp,!1),S.setT(JS.SymmetryDesc.ptemp));var Ba=aa;JS.SymmetryDesc.approx0(R);if(da){var ba=new JU.P3;E.setT(R);var xa=aa,Ta;U?(ba.setT(T),Ta=T):0==Q?(Ta=z,ba.setT(N)):(Ta=z,ba.scaleAdd2(0.5,E,N));JS.SymmetryDesc.ptemp.add2(N,E);xa=Math.round(JU.Measure.computeTorsion(t,N,JS.SymmetryDesc.ptemp,Ta,!0));0!=JS.SymmetryOperation.approx(xa)&&
(aa=xa,0>aa&&(aa=360+aa))}var ha=null,ua=null,Ca=String.fromCharCode(0),Ka=a.isIrrelevant,ta=a.getOpOrder();a.isIrrelevant=(new Boolean(a.isIrrelevant|Ka)).valueOf();var qa=a.getOpIsCCW(),ma=0,va=0;if(l.get(2)||l.get(15)){ha=ua="identity";if(oa)JS.SymmetryDesc.ptemp.setT(X),b.toFractional(JS.SymmetryDesc.ptemp,!1),ha="Ci: "+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio),ua="inversion center";else if(da){var Ua="";null!=qa&&(Ua=qa===Boolean.TRUE?"(+)":"(-)",ma=qa===Boolean.TRUE?1:-1,U&&-1==
ma&&(Ka=!0));va=C(360/Ba);U?ha=va+"-bar"+Ua+" axis":0!=Q?(JS.SymmetryDesc.ptemp.setT(R),b.toFractional(JS.SymmetryDesc.ptemp,!0),ha=va+Ua+" ("+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio)+") screw axis"):(ha=va+Ua+" axis",0==ta%2&&(ma*=C(ta/2)));ua=ha}else if(null!=S){var ab=" "+JS.SymmetryDesc.strCoord(A,a.isBio);ka?(ua=ha="translation",ha+=":"+ab):ya&&(j&&(JS.SymmetryDesc.fixGlideTrans(A),S.setT(A),b.toCartesian(S,!0)),ab=" "+JS.SymmetryDesc.strCoord(A,a.isBio),Ca=JS.SymmetryOperation.getGlideFromTrans(A,
R),ua=ha=Ca+"-glide plane",ha+="|translation:"+ab)}else ya&&(ua=ha="mirror plane");U&&!oa&&(JS.SymmetryDesc.ptemp.setT(X),b.toFractional(JS.SymmetryDesc.ptemp,!1),ha+="|at "+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio));v&&(ha+="|time-reversed",ua+=" (time-reversed)")}var bb=!0,La=da&&!U&&0!=Q;La||(ma=0,bb=JS.SymmetryDesc.checkHandedness(b,R),bb||(aa=-aa,0>aa&&(aa=360+aa),R.scale(-1)));for(var Ha=!1,Va=null;null!=e&&l.get(3);){if(0==a.getOpType()||m&&a.isIrrelevant){JU.Logger.debugging&&
System.out.println("!!SD irrelevent "+a.getOpTitle()+a.getOpPoint());Va="";break}var na=null;this.drawID='\ndraw ID "'+e;var G=new JU.SB;G.append(this.getDrawID("*")).append(" delete");j||(this.drawLine(G,"frame1X",0.15,t,JS.SymmetryDesc.pta01,"red"),this.drawLine(G,"frame1Y",0.15,t,JS.SymmetryDesc.pta02,"green"),this.drawLine(G,"frame1Z",0.15,t,D,"blue"));var ia,Oa=null,cb=0,Da=0.2>t.distance(z),ra=j?"<hover>"+e+": "+a.xyz+"|"+ha+"</hover>":null;if(da){ia=2==va?"red":3==va?"[xA00040]":4==va?"[x800080]":
"[x4000A0]";var Ba=aa,eb=1;E.setT(R);var Wa="";j&&(N.setT(a.getOpPoint()),b.toCartesian(N,!1));ba=new JU.P3;0!=Q&&!U?(na="screw",ia=qa===Boolean.TRUE?"orange":qa===Boolean.FALSE?"blue":4==ta?"lightgray":"grey",j||(this.drawLine(G,"rotLine1",0.1,t,N,"red"),JS.SymmetryDesc.ptemp.add2(N,E),this.drawLine(G,"rotLine2",0.1,z,JS.SymmetryDesc.ptemp,"red"),ba.scaleAdd2(0.5,E,N))):(ba.setT(N),bb||!Da&&!j&&N.sub2(N,E),U?(na="bar",j?(E.normalize(),qa===Boolean.TRUE&&E.scale(-1)):0==Q?(ba.setT(X),E.scale(3*k),
Da?(JS.SymmetryDesc.ptemp.scaleAdd2(0.25,E,N),N.scaleAdd2(-0.24,E,N),ba.scaleAdd2(0.31,E,ba),ia="cyan"):(JS.SymmetryDesc.ptemp.scaleAdd2(-1,E,N),this.drawLine(G,"rotLine1",0.1,t,X,"red"),this.drawLine(G,"rotLine2",0.1,T,X,"red"))):Da||(eb=t.distance(ba),this.drawLine(G,"rotLine1",0.1,t,ba,"red"),this.drawLine(G,"rotLine2",0.1,T,ba,"red"))):(na="rot",E.scale(3*k),!Da&&!j&&(this.drawLine(G,"rotLine1",0.1,t,ba,"red"),this.drawLine(G,"rotLine2",0.1,z,ba,"red")),ba.setT(N),0==Q&&Da&&ba.scaleAdd2(0.25,
E,ba)));j||(180<Ba&&(Ba=180-Ba),JS.SymmetryDesc.ptemp.add2(ba,E),G.append(this.getDrawID("rotRotArrow")).append(" arrow width 0.1 scale "+JU.PT.escF(eb)+" arc ").append(JU.Escape.eP(ba)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.setT(t),0.1>JS.SymmetryDesc.ptemp.distance(z)&&JS.SymmetryDesc.ptemp.set(Math.random(),Math.random(),Math.random()),G.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.set(0,Ba-5*Math.signum(Ba),0),G.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color red"));
var Xa=0;!a.opIsLong&&(m&&0<Q&&!U)&&(Ha=(Xa=a.getOpTrans().length())>(2==ta?0.71:3==ta?0.578:0.51));Ha&&JU.Logger.debugging&&System.out.println("SD ignoring "+a.getOpTrans().length()+" "+a.getOpTitle()+a.xyz);var db=null;if(0==Q&&!U){JS.SymmetryDesc.ptemp.scaleAdd2(0.5,E,N);N.scaleAdd2(j?-0.5:-0.45,E,N);if(m&&Fa&&null!=(db=a.getOpPoint2()))ba.setT(db),b.toCartesian(ba,!1),ba.scaleAdd2(-0.5,E,ba);j&&this.scaleByOrder(E,ta,qa)}else m&&0!=Q&&!U&&0.4<(wa=a.getOpTrans().length())?qa!==Boolean.TRUE&&null!=
qa&&0.5==wa&&(Ha=!0):j&&U&&(this.scaleByOrder(E,ta,qa),Wa="80");0<Q&&!U&&(Wa=""+(90-x(90*(E.length()/Q))));if(!Ha){if(0!=ma){switch(ta){case 4:0.49<Xa&&(ma=-2);break;case 6:0.49<Xa?ma=-3:0.33<Xa&&(ma*=2)}ia=0>ma?"blue":"orange"}var fb=na+"_"+va+"rotvector1";this.drawOrderVector(G,fb,"vector","0.1"+Wa,N,va,ma,U&&m,qa===Boolean.TRUE,E,v?"orange":ia,ra,m);null!=db&&this.drawOrderVector(G,fb+"2","vector","0.1"+Wa,ba,ta,ma,U,qa===Boolean.TRUE,E,v?"gray":ia,ra,m)}}else if(ya){JS.SymmetryDesc.ptemp.sub2(K,
t);!j&&0.2<t.distance(K)&&this.drawVector(G,"planeVector","vector","0.05",t,JS.SymmetryDesc.ptemp,v?"gray":"cyan",null);na="plane";if(null==S)ia="magenta";else{na="glide";switch(Ca.charCodeAt(0)){case 97:ia="[x4080ff]";break;case 98:ia="blue";break;case 99:ia="cyan";break;case 110:ia="orange";break;case 100:ia="grey";break;default:ia="lightgreen"}j||(this.drawFrameLine("X",K,O,0.15,JS.SymmetryDesc.ptemp,G,na,"red"),this.drawFrameLine("Y",K,fa,0.15,JS.SymmetryDesc.ptemp,G,na,"green"),this.drawFrameLine("Z",
K,M,0.15,JS.SymmetryDesc.ptemp,G,na,"blue"))}var gb=b.getCanonicalCopy(ja,!0);if(j&&(Sa||Ma||Ga))for(var W=8;0<=--W;)gb[W].add($);var Pa=this.modelSet.vwr.getTriangulator().intersectPlane(u,gb,3);if(null!=Pa)for(var hb=j?a.iCoincident:0,Oa=new JU.P3,ib=W=0,$a=Pa.size();W<$a;W++){var Ia=Pa.get(W);G.append(this.getDrawID((null==S?"mirror_":Ca+"_g")+"planep"+W)).append(JU.Escape.eP(Ia[0])).append(JU.Escape.eP(Ia[1]));3==Ia.length?((0==hb||0==ib%2!=(1==hb))&&G.append(JU.Escape.eP(Ia[2])),ib++):(Oa.add(Ia[0]),
Oa.add(Ia[1]),cb+=2);G.append(" color translucent ").append(ia);null!=ra&&G.append(" ").append(JU.PT.esc(ra))}if(null==Pa||0==Pa.size())m?Ha=!0:(JS.SymmetryDesc.ptemp.add2(N,R),G.append(this.getDrawID("planeCircle")).append(" scale 2.0 circle ").append(JU.Escape.eP(N)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color translucent ").append(ia).append(" mesh fill"),null!=ra&&G.append(" ").append(JU.PT.esc(ra)))}U&&(na="inv",oa?(G.append(this.getDrawID("inv_point")).append(" diameter 0.4 ").append(JU.Escape.eP(X)),
null!=ra&&G.append(" ").append(JU.PT.esc(ra)),JS.SymmetryDesc.ptemp.sub2(T,t),j||this.drawVector(G,"Arrow","vector","0.05",t,JS.SymmetryDesc.ptemp,v?"gray":"cyan",null)):(4==ta&&(G.append(this.getDrawID("RotPoint")).append(" diameter 0.3 color red").append(JU.Escape.eP(X)),null!=ra&&G.append(" ").append(JU.PT.esc(ra))),j||(G.append(" color cyan"),Da||(JS.SymmetryDesc.ptemp.sub2(z,T),this.drawVector(G,"Arrow","vector","0.05",T,JS.SymmetryDesc.ptemp,v?"gray":"cyan",null)),1073742066!=g&&(E.setT(O),
E.scale(-1),this.drawFrameLine("X",T,E,0.15,JS.SymmetryDesc.ptemp,G,na,"red"),E.setT(fa),E.scale(-1),this.drawFrameLine("Y",T,E,0.15,JS.SymmetryDesc.ptemp,G,na,"green"),E.setT(M),E.scale(-1),this.drawFrameLine("Z",T,E,0.15,JS.SymmetryDesc.ptemp,G,na,"blue")))));if(null!=S&&(ya&&j?null!=Oa&&(K=Oa,K.scale(1/cb),K.scaleAdd2(-0.5,S,K)):null==K&&(K=j?t:JU.P3.newP(t)),null!=K&&!Ha)){var jb="\x00"==Ca,Ya=j&&!jb&&!Ea;Ya?(JS.SymmetryDesc.ptemp.scaleAdd2(0.5,S,K),JS.SymmetryDesc.vtrans.setT(S),JS.SymmetryDesc.vtrans.scale(0.5)):
(JS.SymmetryDesc.ptemp.setT(K),JS.SymmetryDesc.vtrans.setT(S));ia=Ya?v?"orange":"green":v&&(q||!U&&!ya&&!da)?"darkgray":"gold";this.drawVector(G,(jb?"centering_":Ca+"_g")+"trans_vector","vector",Ya||Ea?"0.1":"0.05",JS.SymmetryDesc.ptemp,JS.SymmetryDesc.vtrans,ia,ra);Ya&&(JS.SymmetryDesc.vtrans.scale(-1),this.drawVector(G,Ca+"_gtrans_vector2","vector","0.1",JS.SymmetryDesc.ptemp,JS.SymmetryDesc.vtrans,ia,ra))}j||(JS.SymmetryDesc.ptemp2.setT(z),JS.SymmetryDesc.ptemp.sub2(H,z),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,
JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),this.drawLine(G,"frame2X",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,"red"),JS.SymmetryDesc.ptemp.sub2(L,z),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),this.drawLine(G,"frame2Y",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,"green"),JS.SymmetryDesc.ptemp.sub2(I,z),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),this.drawLine(G,"frame2Z",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,
"purple"),G.append("\nsym_point = "+JU.Escape.eP(t)),G.append("\nvar p0 = "+JU.Escape.eP(JS.SymmetryDesc.ptemp2)),Y(t,"JM.Atom")?(G.append("\nvar set2 = within(0.2,p0);if(!set2){set2 = within(0.2,p0.uxyz.xyz)}"),G.append("\n set2 &= {_"+t.getElementSymbol()+"}")):G.append("\nvar set2 = p0.uxyz"),G.append("\nsym_target = set2;if (set2) {"),!Da&&(1073742066!=g&&null==d&&!h)&&(G.append(this.getDrawID("offsetFrameX")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(O)).append("*0.9} color red"),
G.append(this.getDrawID("offsetFrameY")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(fa)).append("*0.9} color green"),G.append(this.getDrawID("offsetFrameZ")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(M)).append("*0.9} color purple")),G.append("\n}\n"));Va=G.toString();JU.Logger.debugging&&JU.Logger.info(Va);G=null;break}null==S&&(A=null);La&&(S=JU.V3.newV(R),JS.SymmetryDesc.ptemp.setT(S),b.toFractional(JS.SymmetryDesc.ptemp,!1),A=JU.V3.newV(JS.SymmetryDesc.ptemp));
ya&&(aa=0);U?oa&&(A=S=R=N=null):ka&&(R=N=null);null!=R&&R.normalize();var Qa=null;if(l.get(0)||l.get(17))Qa=a.isBio?w.toString():0<a.modDim?a.xyzOriginal:JS.SymmetryOperation.getXYZFromMatrix(w,!1,!1,!1),F&&(Qa=a.fixMagneticXYZ(w,Qa));for(var ea=Array(21),W=l.nextSetBit(0);0<=W;W=l.nextSetBit(W+1))switch(W){case 0:ea[W]=Qa;break;case 19:if(null!=c&&null==d&&!a.isBio&&0==a.modDim){var Za;JS.SymmetryDesc.pta02.setT(c);b.toFractional(JS.SymmetryDesc.pta02,!0);w.rotTrans(JS.SymmetryDesc.pta02);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta02);
b.unitize(JS.SymmetryDesc.pta02);JS.SymmetryDesc.vtrans.sub2(JS.SymmetryDesc.pta02,JS.SymmetryDesc.ptemp);w=JU.M4.newM4(a);w.add(JS.SymmetryDesc.vtrans);Za=JS.SymmetryOperation.getXYZFromMatrix(w,!1,!1,!1);F&&(Za=a.fixMagneticXYZ(w,Za));ea[W]=Za}break;case 1:ea[W]=a.xyzOriginal;break;case 2:ea[W]=ha;break;case 3:ea[W]=Va;break;case 4:ea[W]=JS.SymmetryDesc.approx0(A);break;case 5:ea[W]=JS.SymmetryDesc.approx0(S);break;case 6:ea[W]=JS.SymmetryDesc.approx0(X);break;case 7:ea[W]=JS.SymmetryDesc.approx0(null!=
N&&l.get(23)?t:N);break;case 8:ea[W]=null==u?JS.SymmetryDesc.approx0(R):null;break;case 9:ea[W]=0!=aa?Integer.$valueOf(aa):null;break;case 10:ea[W]=w;break;case 11:ea[W]=0<JS.SymmetryDesc.vtrans.lengthSquared()?JS.SymmetryDesc.vtrans:null;break;case 12:ea[W]=a.getCentering();break;case 13:ea[W]=Integer.$valueOf(a.timeReversal);break;case 14:null!=u&&l.get(23)&&(wa=JU.Measure.distanceToPlane(u,t),u.w-=wa);ea[W]=u;break;case 20:ea[W]=a.spinU;break;case 15:ea[W]=ua;break;case 16:ea[W]=Integer.$valueOf(a.number);
break;case 17:var Ja=null;if(!a.isBio&&!Qa.equals(a.xyzOriginal)&&0<a.number){var kb=JS.SymmetryOperation.getMatrixFromXYZ(a.xyzOriginal,null,!1);kb.sub(w);Ja=new JU.P3;kb.getTranslation(Ja)}ea[W]=(0>a.number?0:a.number)+(null==Ja?" [0 0 0]":" ["+x(-Ja.x)+" "+x(-Ja.y)+" "+x(-Ja.z)+"]");break;case 18:ea[W]=a.xyzCanonical}return ea},"JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.P3,~S,~N,~N,~B,JU.BS,~B,~B,~N");c.fixGlideTrans=e(c,"fixGlideTrans",function(a){a.x=JS.SymmetryDesc.fixGlideX(a.x);
a.y=JS.SymmetryDesc.fixGlideX(a.y);a.z=JS.SymmetryDesc.fixGlideX(a.z)},"JU.V3");c.fixGlideX=e(c,"fixGlideX",function(a){switch(Math.round(48.001*a)){case 36:return-0.25;case -36:return 0.25;default:return a}},"~N");e(c,"scaleByOrder",function(a,b,c){a.scale(1+0.3/b+(null==c?0:c===Boolean.TRUE?0.02:-0.02))},"JU.V3,~N,Boolean");c.checkHandedness=e(c,"checkHandedness",function(a,b){var c,d,e;JS.SymmetryDesc.ptemp.set(1,0,0);a.toCartesian(JS.SymmetryDesc.ptemp,!1);c=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(b));
JS.SymmetryDesc.ptemp.set(0,1,0);a.toCartesian(JS.SymmetryDesc.ptemp,!1);d=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(b));JS.SymmetryDesc.ptemp.set(0,0,1);a.toCartesian(JS.SymmetryDesc.ptemp,!1);e=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(b));return 0==c?0==d?0<e:0<d:0==e?0<c:0==d?0<e:0<c*d*e},"J.api.SymmetryInterface,JU.P3");e(c,"drawLine",function(a,b,c,d,e,k){a.append(this.getDrawID(b)).append(" diameter ").appendD(c).append(JU.Escape.eP(d)).append(JU.Escape.eP(e)).append(" color ").append(k)},
"JU.SB,~S,~N,JU.P3,JU.P3,~S");e(c,"drawFrameLine",function(a,b,c,d,e,k,g,h){e.setT(b);e.add(c);this.drawLine(k,g+"Pt"+a,d,b,e,"translucent "+h)},"~S,JU.P3,JU.V3,~N,JU.P3,JU.SB,~S,~S");e(c,"drawVector",function(a,b,c,d,e,k,g,h){c.equals("vline")&&(JS.SymmetryDesc.ptemp2.add2(e,k),c="",k=JS.SymmetryDesc.ptemp2);a.append(this.getDrawID(b)).append(" diameter ").append(d+" ").append(c).append(JU.Escape.eP(e)).append(JU.Escape.eP(k)).append(" color ").append(g);null!=h&&a.append(' "'+h+'"')},"JU.SB,~S,~S,~S,JU.T3,JU.T3,~S,~S");
e(c,"drawOrderVector",function(a,b,c,d,e,k,g,h,l,j,m,n,p){this.drawVector(a,b,c,d,e,j,m,n);if(!(2==k||h&&!l)){c=JS.SymmetryDesc.getPolygon(k,!h?0:l?1:-1,h,e,j);d=c[0];a.append(this.getDrawID(b+"_key")).append(" POLYGON ").appendI(d.size());l=0;for(n=d.size();l<n;l++)a.appendO(d.get(l));a.append(" color ").append(m);if(0!=g&&p){c=JS.SymmetryDesc.getPolygon(k,g,h,e,j);a.append(this.getDrawID(b+"_key2"));d=c[0];a.append(" POLYGON ").appendI(d.size());l=0;for(n=d.size();l<n;l++)a.appendO(d.get(l));d=
c[1];a.appendI(d.size());l=0;for(n=d.size();l<n;l++)a.appendO(JU.PT.toJSON(null,d.get(l)));a.append(" color ").append(m)}}},"JU.SB,~S,~S,~S,JU.P3,~N,~N,~B,~B,JU.V3,~S,~S,~B");c.getPolygon=e(c,"getPolygon",function(a,b,c,d,e){var k=c?0.6:0.4,g=new JU.Lst,h=new JU.Lst,l=JU.V3.newV(e);l.scale(0);l.add(d);var j=JU.V3.new3(0,0,1),m=new JU.V3;d=new JU.M3;m.cross(j,e);0.01>m.length()?d.m00=d.m11=d.m22=1:(m.normalize(),e=j.angle(e),d.setAA(JU.A4.newVA(m,e)));e=6.283185307179586/a*(0>b?-1:1);for(var m=new JU.V3,
n=null,p=j=0,v=0,q=0==b?a:a+1;v<q;v++){var u=new JU.P3;u.x=Math.cos(e*v)*k;u.y=Math.sin(e*v)*k;d.rotate(u);u.add(l);v<a&&g.addLast(u);if(!c&&0!=b&&0==v%b&&null!=n){m.sub2(u,n);var n=v<a?p++:0,t=JU.P3.newP(u);t.scaleAdd2(1,u,t);t.scaleAdd2(-1,l,t);g.addLast(t);h.addLast(L(-1,[j,p++,n,0]));j=n}else j=p++;n=u}return H(-1,[g,h])},"~N,~N,~B,JU.P3,JU.V3");c.rotTransCart=e(c,"rotTransCart",function(a,b,c,d){c=JU.P3.newP(c);b.toFractional(c,!1);a.rotTrans(c);c.add(d);b.toCartesian(c,!1);return c},"JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.V3");
c.strCoord=e(c,"strCoord",function(a,b){JS.SymmetryDesc.approx0(a);return b?"("+a.x+" "+a.y+" "+a.z+")":JS.SymmetryOperation.fcoord(a," ")},"JU.T3,~B");c.approx0=e(c,"approx0",function(a){null!=a&&(a.x=JS.SymmetryDesc.approx0d(a.x),a.y=JS.SymmetryDesc.approx0d(a.y),a.z=JS.SymmetryDesc.approx0d(a.z));return a},"JU.T3");c.approx0d=e(c,"approx0d",function(a){return 1E-4>Math.abs(a)?0:a},"~N");e(c,"getSymmetryInfo",function(a,b,c,d,e,k,g,h,l,j,m,n,p,v){var q=0,u=JS.SymmetryDesc.nullReturn(j),t=0;switch(j){case 1073741994:return""+
c.getLatticeType();case 1073742001:q=1073742001;break;case 135176:q=135176;break;case 1145045003:q=JS.SymmetryDesc.getKeyType("matrix");t=24;break;case 1275068418:switch(q=JS.SymmetryDesc.getType(l),q){case 1145045003:q=JS.SymmetryDesc.getKeyType("matrix");t=24;break;case 1611141175:case 1153433601:case 1073741961:case 1073742001:case 134217751:case 1086326789:case 36868:case 1073742078:j=q;break;default:q=JS.SymmetryDesc.getKeyType(l)}}var w=JS.SymmetryDesc.getInfoBS(q);21<t&&w.set(t);var x=-2==
n,y=e,B=e,A=1073742066==p&&(1153433601==j||134217751==j)?h:null;null!=A&&(h=null);var D=y=null,z=null,t=null==c?3:c.getDimensionality();if(null==h){if(null==d){z=x?c.getAdditionalOperations():c.getSymmetryOperations();if(null==z||Math.abs(e)>z.length||0==e)return u;y=Math.abs(e)-1;d=null==k?z[y].xyz:z[y].getxyzTrans(k);D=z[y].xyzOriginal}else y=e=0;var C=new JS.Symmetry;C.setSpaceGroup(!1);var F=null!=c&&c.isBio();h=F?C.addBioMoleculeOperation(c.getSpaceGroup().finalOperations[y],0>e):C.addSpaceGroupOperation((0>
e?"!":"=")+d,Math.abs(e));if(0>h)return u;var I=C.getSpaceGroupOperation(h);v&&(I.iCoincident=z[y].iCoincident);x&&(I.isIrrelevant=z[y].isIrrelevant);null!=D&&(I.xyzOriginal=D,I.timeReversal=z[y].timeReversal,I.spinU=z[y].spinU);I.number=0==e?B:e;F||I.getCentering();null==g&&0<=b&&(g=this.modelSet.at[b]);if(134217751==j||1153433601==j){if(F||null==g)return u;C.setUnitCell(c);JS.SymmetryDesc.ptemp.setT(g);c.toFractional(JS.SymmetryDesc.ptemp,!1);if(Float.isNaN(JS.SymmetryDesc.ptemp.x))return u;q=new JU.P3;
C.newSpaceGroupPoint(JS.SymmetryDesc.ptemp,h,null,0,0,0,q);1073742066==p&&(c.unitize(q),q.add(A));C.toCartesian(q,!1);return 1153433601==j?this.getAtom(c,a,b,q):q}y=this.createInfoArray(I,c,g,null,null==l?"sym":l,m,p,null!=k,w,v,x,t);1275068418==j&&(null!=l&&-11!=q)&&(q=JS.SymmetryDesc.getKeyType(l))}else{x="info";A=!1;switch(j){case 1275068418:-11!=q&&(q=JS.SymmetryDesc.getKeyType(l));l=x=null;0==n&&(n=-1);break;case 1073742001:l=x=null;0==n&&(n=-1);A=!0;w.set(22);w.set(0);w.set(19);break;case 135176:null==
l&&(l=v?"sg":"sym");x="all";A=!0;break;case 1153433601:l=x=null;default:0==n&&(n=1)}p=this.getSymopInfoForPoints(c,a,e,k,g,h,l,x,m,n,p,w);if(A)return p;if("string"==typeof p)return u;y=p;if(1153433601==j)return!Y(g,"JM.Atom")&&!Y(h,"JM.Atom")&&(b=-1),null==y?u:this.getAtom(c,a,b,y[7])}if(null==y)return u;a=0<y.length&&Y(y[0],Array);if(0>n&&0>=e&&null==d&&(1275068418==j||a)){1275068418==j&&(0<y.length&&!Y(y[0],Array))&&(y=H(-1,[y]));a=new JU.Lst;for(h=0;h<y.length;h++)a.addLast(JS.SymmetryDesc.getInfo(y[h],
0>q?q:j,t));return a}if(0>q&&(0<=n||0<e||null!=d))j=q;0<n&&a&&(y=y[0]);135176==j&&(v&&-2==n)&&(j=134217764);return JS.SymmetryDesc.getInfo(y,j,t)},"~N,~N,J.api.SymmetryInterface,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~B");e(c,"getAtom",function(a,b,c,d){var e=null;0<=c&&this.modelSet.getAtomBitsMDa(1094715402,Integer.$valueOf(this.modelSet.at[c].getElementNumber()),e=new JU.BS);c=new JU.BS;this.modelSet.getAtomsWithin(0.02,d,c,b);null!=e&&c.and(e);c.isEmpty()&&(d=JU.P3.newP(d),a.toUnitCell(d,null),
a.toCartesian(d,!1),this.modelSet.getAtomsWithin(0.02,d,c,b),null!=e&&c.and(e));return c},"J.api.SymmetryInterface,~N,~N,JU.T3");c.ptemp=new JU.P3;c.ptemp2=new JU.P3;c.pta01=new JU.P3;c.pta02=new JU.P3;c.vtrans=new JU.V3;c.keys=H(-1,["xyz","xyzOriginal","label",null,"fractionalTranslation","cartesianTranslation","inversionCenter",null,"axisVector","rotationAngle","matrix","unitTranslation","centeringVector","timeReversal","plane","_type","id","cif2","xyzCanonical","xyzNormalized","spin"])});ca("JS");
ja(["JU.SimpleUnitCell","JU.P3","JV.JC"],"JS.UnitCell","java.util.Hashtable JU.AU $.Lst $.M3 $.M4 $.P4 $.PT $.Quat $.V3 J.api.Interface JS.Symmetry JU.BoxInfo $.Escape".split(" "),function(){var c=O(function(){this.moreInfo=null;this.name="";this.fractionalOffset=this.vertices=null;this.allFractionalRelative=!1;this.f2c=this.unitCellMultiplied=this.unitCellMultiplier=this.cartesianOffset=null;P(this,arguments)},JS,"UnitCell",JU.SimpleUnitCell,Cloneable);ka(c,function(){this.cartesianOffset=new JU.P3});
c.fromOABC=e(c,"fromOABC",function(a,b){var c=new JS.UnitCell;3==a.length&&(a=H(-1,[new JU.P3,a[0],a[1],a[2]]));var d=F(-1,[-1,0,0,0,0,0,a[1].x,a[1].y,a[1].z,a[2].x,a[2].y,a[2].z,a[3].x,a[3].y,a[3].z]);c.init(d);c.allFractionalRelative=b;c.initUnitcellVertices();c.setCartesianOffset(a[0]);return c},"~A,~B");c.fromParams=e(c,"fromParams",function(a,b,c){var d=new JS.UnitCell;d.init(a);d.initUnitcellVertices();d.allFractionalRelative=b;d.setPrecision(c);26<a.length&&(a[26]=c);return d},"~A,~B,~N");
c.cloneUnitCell=e(c,"cloneUnitCell",function(a){var b=null;try{b=a.clone()}catch(c){if(!Q(c,"CloneNotSupportedException"))throw c;}return b},"JS.UnitCell");e(c,"checkDistance",function(a,b,c,d,e,k,g,h){a=JU.P3.newP(a);this.toCartesian(a,!0);for(var l=-e;l<=e;l++)for(var j=-k;j<=k;j++)for(var m=-g;m<=g;m++){h.set(b.x+l,b.y+j,b.z+m);this.toCartesian(h,!0);var n=a.distance(h);if(0<d?Math.abs(n-c)<=d:n<=c&&0.1<n)return h.set(l,j,m),!0}return!1},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");e(c,"checkPeriodic",
function(a){switch(this.dimension){case 3:if(a.z<-this.slop||a.z>1-this.slop)return!1;case 2:if(a.y<-this.slop||a.y>1-this.slop)return!1;case 1:if(a.x<-this.slop||a.x>1-this.slop)return!1}return!0},"JU.P3");e(c,"dumpInfo",function(a,b){var c=b?this.getUnitCellMultiplied():this;return c!==this?c.dumpInfo(a,!1):"a="+this.a+", b="+this.b+", c="+this.c+", alpha="+this.alpha+", beta="+this.beta+", gamma="+this.gamma+"\noabc="+JU.Escape.eAP(this.getUnitCellVectors())+"\nvolume="+this.volume+(a?"\nfractional to cartesian: "+
this.matrixFractionalToCartesian+"\ncartesian to fractional: "+this.matrixCartesianToFractional:"")},"~B,~B");e(c,"fix000",function(a){return 0.001>Math.abs(a)?0:a},"~N");e(c,"fixFloor",function(a){return 1==a?0:a},"~N");e(c,"getCanonicalCopy",function(a,b){var c=this.getScaledCell(b);return JU.BoxInfo.getCanonicalCopy(c,a)},"~N,~B");e(c,"getCanonicalCopyTrimmed",function(a,b){var c=this.getScaledCellMult(a,!0);return JU.BoxInfo.getCanonicalCopy(c,b)},"JU.P3,~N");e(c,"getCartesianOffset",function(){return this.cartesianOffset});
e(c,"getCellWeight",function(a){var b=1;if(a.x<=this.slop||a.x>=1-this.slop)b/=2;if(a.y<=this.slop||a.y>=1-this.slop)b/=2;if(a.z<=this.slop||a.z>=1-this.slop)b/=2;return b},"JU.P3");e(c,"getConventionalUnitCell",function(a,b){var c=this.getUnitCellVectors();(!a.equals("P")||null!=b)&&this.toFromPrimitive(!1,a.charAt(0),c,b);return c},"~S,JU.M3");e(c,"getEquivPoints",function(a,b,c,d,e,k,g,h){var l=0<=b.indexOf("fromfractional"),j=0<=b.indexOf("tofractional");b=0<=b.indexOf("packed");null==d&&(d=new JU.Lst);
a=JU.P3.newP(a);l||this.toFractional(a,!0);var l=d.size(),m=0!=(h&1),n=0!=(h&2);h=0!=(h&4);for(var p=0,v=c.length;p<v;p++){var q=JU.P3.newP(a);c[p].rotTrans(q);m&&(q.x=this.fixFloor(q.x-C(Math.floor(q.x))));n&&(q.y=this.fixFloor(q.y-C(Math.floor(q.y))));h&&(q.z=this.fixFloor(q.z-C(Math.floor(q.z))));d.addLast(q);l++}if(b){if(!h){c=JU.P3.new3(0,0,0.5);for(p=k;p<l;p++)d.get(p).add(c)}if(!n){c=JU.P3.new3(0,0.5,0);for(p=k;p<l;p++)d.get(p).add(c)}if(!m){c=JU.P3.new3(0.5,0,0);for(p=k;p<l;p++)d.get(p).add(c)}for(p=
k;p<l;p++)a.setT(d.get(p)),this.unitizeRnd(a),0==a.x&&(d.addLast(JU.P3.new3(0,a.y,a.z)),d.addLast(JU.P3.new3(1,a.y,a.z)),0==a.y&&(d.addLast(JU.P3.new3(1,1,a.z)),d.addLast(JU.P3.new3(0,0,a.z)),0==a.z&&(d.addLast(JU.P3.new3(1,1,1)),d.addLast(JU.P3.new3(0,0,0))))),0==a.y&&(d.addLast(JU.P3.new3(a.x,0,a.z)),d.addLast(JU.P3.new3(a.x,1,a.z)),0==a.z&&(d.addLast(JU.P3.new3(a.x,0,0)),d.addLast(JU.P3.new3(a.x,1,1)))),0==a.z&&(d.addLast(JU.P3.new3(a.x,a.y,0)),d.addLast(JU.P3.new3(a.x,a.y,1)),0==a.x&&(d.addLast(JU.P3.new3(0,
a.y,0)),d.addLast(JU.P3.new3(1,a.y,1))));l=d.size();if(!m){c=JU.P3.new3(-0.5,0,0);for(p=k;p<l;p++)d.get(p).add(c)}if(!n){l=d.size();c=JU.P3.new3(0,-0.5,0);for(p=k;p<l;p++)d.get(p).add(c)}if(!h){l=d.size();c=JU.P3.new3(0,0,-0.5);for(p=k;p<l;p++)d.get(p).add(c)}}JS.UnitCell.removeDuplicates(d,e,g,-1);if(!j)for(p=d.size();--p>=k;)this.toCartesian(d.get(p),!0);return d},"JU.P3,~S,~A,JU.Lst,~N,~N,~N,~N");e(c,"getFractionalOffset",function(){return this.fractionalOffset});e(c,"getInfo",function(){var a=
this.getUnitCellMultiplied();if(a!==this)return a.getInfo();a=new java.util.Hashtable;a.put("params",this.unitCellParams);a.put("oabc",this.getUnitCellVectors());a.put("volume",Float.$valueOf(this.volume));a.put("matFtoC",this.matrixFractionalToCartesian);a.put("matCtoF",this.matrixCartesianToFractional);return a});e(c,"getQuaternionRotation",function(a){var b=JU.V3.newVsub(this.vertices[4],this.vertices[0]),c=JU.V3.newVsub(this.vertices[2],this.vertices[0]),d=JU.V3.newVsub(this.vertices[1],this.vertices[0]),
e=new JU.P3,k=new JU.P3,g="-"==a.charAt(0)?-1:1;0>g&&(a=a.substring(1));var h=a;a=JU.PT.rep(JU.PT.rep(JU.PT.rep(JU.PT.rep(JU.PT.rep(JU.PT.rep(a,"ab","A"),"bc","B"),"ca","C"),"ba","D"),"cb","E"),"ac","F");var l=(h=!h.equals(a))?1:0;2==a.length&&(l=a.charAt(1).charCodeAt(0)-48,a=a.substring(0,1));var j=0==l%2;switch("abcABCDEF".indexOf(a)){case 7:g=-g;case 4:b.cross(d,c),l=(5-l)%4+1;default:a=b;b=d;break;case 8:g=-g;case 5:g=-g,c.cross(d,b),l=(2+l)%4+1;case 1:a=c;c=d;g=-g;break;case 3:g=-g;case 6:d.cross(b,
c),j&&(l=6-l);case 2:a=d,!h&&0<l&&(l=5-l)}0<l&&0<g!=j&&(b=c,a.scale(-1));switch(l){case 2:a.scale(-1);b.scale(-1);break;case 3:b.scale(-1);break;case 4:a.scale(-1)}e.cross(a,b);k.cross(e,a);return JU.Quat.getQuaternionFrame(null,k,e).inv()},"~S");e(c,"getScaledCell",function(a){return this.getScaledCellMult(null,a)},"~B");e(c,"getScaledCellMult",function(a,b){var c=Array(8),d=null,e=null,k=null!=a;k||(a=this.unitCellMultiplier);b&&(null!=a&&0==a.z)&&(d=new JU.P3,e=new JU.P3,JU.SimpleUnitCell.ijkToPoint3f(x(a.x),
d,0,0),JU.SimpleUnitCell.ijkToPoint3f(x(a.y),e,0,0),e.sub(d));for(var g=k||null==a||0==a.z?1:Math.abs(a.z),h=0;8>h;h++){var l=c[h]=JU.P3.newP(JU.BoxInfo.unitCubePoints[h]);null!=d?c[h].add3(d.x+e.x*l.x,d.y+e.y*l.y,d.z+e.z*l.z):k&&l.scaleT(a);c[h].scale(g);this.matrixFractionalToCartesian.rotTrans(l);b||l.sub(this.cartesianOffset)}return c},"JU.T3,~B");e(c,"getState",function(){var a="";null!=this.fractionalOffset&&0!=this.fractionalOffset.lengthSquared()&&(a+="  unitcell offset "+JU.Escape.eP(this.fractionalOffset)+
";\n");null!=this.unitCellMultiplier&&(a+="  unitcell range "+JU.SimpleUnitCell.escapeMultiplier(this.unitCellMultiplier)+";\n");return a});e(c,"getTensor",function(a,b){var c=J.api.Interface.getUtil("Tensor",a,"file");if(0==b[0]&&0==b[1]&&0==b[2]){var d=b[7],e=F(-1,[d,d,d]);return c.setFromEigenVectors(JS.UnitCell.unitVectors,e,"iso","Uiso="+d,null)}c.parBorU=b;var d=La(6,0),k=x(b[6]);if(12==k)d[0]=19.739208802178716*b[0],d[1]=19.739208802178716*b[1],d[2]=19.739208802178716*b[2],d[3]=39.47841760435743*
b[3],d[4]=39.47841760435743*b[4],d[5]=39.47841760435743*b[5],b[7]=(b[0]+b[1]+b[3])/3;else{var e=4==k||5==k||8==k||9==k,g=2-k%2,h=8==k||9==k||10==k?19.739208802178716:4==k||5==k?0.25:2==k||3==k?Math.log(2):1,k=b[0]*h*(e?this.a_*this.a_:1),l=b[1]*h*(e?this.b_*this.b_:1),j=b[2]*h*(e?this.c_*this.c_:1),m=b[3]*h*(e?this.a_*this.b_:1)*g,n=b[4]*h*(e?this.a_*this.c_:1)*g,e=b[5]*h*(e?this.b_*this.c_:1)*g;b[7]=Math.pow(k/19.739208802178716/this.a_/this.a_*l/19.739208802178716/this.b_/this.b_*j/19.739208802178716/
this.c_/this.c_,0.3333);d[0]=this.a*this.a*k+this.b*this.b*this.cosGamma*this.cosGamma*l+this.c*this.c*this.cosBeta*this.cosBeta*j+this.a*this.b*this.cosGamma*m+this.b*this.c*this.cosGamma*this.cosBeta*e+this.a*this.c*this.cosBeta*n;d[1]=this.b*this.b*this.sinGamma*this.sinGamma*l+this.c*this.c*this.cA_*this.cA_*j+this.b*this.c*this.cA_*this.sinGamma*e;d[2]=this.c*this.c*this.cB_*this.cB_*j;d[3]=2*this.b*this.b*this.cosGamma*this.sinGamma*l+2*this.c*this.c*this.cA_*this.cosBeta*j+this.a*this.b*this.sinGamma*
m+this.b*this.c*(this.cA_*this.cosGamma+this.sinGamma*this.cosBeta)*e+this.a*this.c*this.cA_*n;d[4]=2*this.c*this.c*this.cB_*this.cosBeta*j+this.b*this.c*this.cosGamma*e+this.a*this.c*this.cB_*n;d[5]=2*this.c*this.c*this.cA_*this.cB_*j+this.b*this.c*this.cB_*this.sinGamma*e}return c.setFromThermalEquation(d,JU.Escape.eAF(b))},"JV.Viewer,~A");e(c,"getUnitCellMultiplied",function(){if(null==this.unitCellMultiplier||0<this.unitCellMultiplier.z&&this.unitCellMultiplier.z==x(this.unitCellMultiplier.z))return this;
if(null==this.unitCellMultiplied){var a=JU.BoxInfo.toOABC(this.getScaledCell(!0),null);this.unitCellMultiplied=JS.UnitCell.fromOABC(a,!1)}return this.unitCellMultiplied});e(c,"getUnitCellMultiplier",function(){return this.unitCellMultiplier});e(c,"isStandard",function(){return null==this.unitCellMultiplier||this.unitCellMultiplier.x==this.unitCellMultiplier.y});e(c,"getUnitCellVectors",function(){var a=this.matrixFractionalToCartesian;return H(-1,[JU.P3.newP(this.cartesianOffset),JU.P3.new3(this.fix000(a.m00),
this.fix000(a.m10),this.fix000(a.m20)),JU.P3.new3(this.fix000(a.m01),this.fix000(a.m11),this.fix000(a.m21)),JU.P3.new3(this.fix000(a.m02),this.fix000(a.m12),this.fix000(a.m22))])});c.toTrm=e(c,"toTrm",function(a,b){null==b&&(b=new JU.M4);JS.UnitCell.getMatrixAndUnitCell(null,a,b);return b},"~S,JU.M4");c.getMatrixAndUnitCell=e(c,"getMatrixAndUnitCell",function(a,b,c){null==b&&(b="a,b,c");var d,e=Array(4),k=e[0]=JU.P3.new3(0,0,0);e[1]=JU.P3.new3(1,0,0);e[2]=JU.P3.new3(0,1,0);e[3]=JU.P3.new3(0,0,1);
var g=new JU.M3;if(JU.AU.isAD(b))return JU.SimpleUnitCell.setAbcFromParams(b,e);if("string"==typeof b){var h,l=null;if(0==b.indexOf("a="))return JU.SimpleUnitCell.setAbc(b,null,e);if(0<b.indexOf(">")){if(null!=a||null==c)return null;a=b.$plit(">");c.setIdentity();k=new JU.M4;for(d=a.length;0<=--d;)JS.UnitCell.getMatrixAndUnitCell(null,a[d],k),c.mul2(k,c);return e}d=Array(1);var j=b.indexOf(";");0<=j?(h=b.substring(j+1).trim(),b=b.substring(0,j),d[0]=b,l=JS.UnitCell.fixABC(d),b!==d[0]&&(b=d[0])):b.equals("a,b,c")?
h=null:(0<b.indexOf("w")&&(b=b.$replace("u","x").$replace("v","y").$replace("w","z")),d[0]=b,h=JS.UnitCell.fixABC(d),b=d[0]);for(b+=";0,0,0";b.startsWith("!!");)b=b.substring(2);(j=b.startsWith("!"))&&(b=b.substring(1));b.equals("r;0,0,0")?b="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"+b.substring(1):b.equals("h;0,0,0")&&(b="a-b,b-c,a+b+c"+b.substring(1));var m=new JS.Symmetry;m.setSpaceGroup(!1);d=m.addSpaceGroupOperation("="+b,0);if(0>d)return null;d=m.getSpaceGroupOperation(d);d.doFinalize();
m=new JU.P3;JS.UnitCell.addTrans(h,m);JS.UnitCell.addTrans(l,m);d.setTranslation(m);0<=b.indexOf("c")&&d.transpose33();j&&d.invert();null!=c&&c.setM4(d);if(null==a)return e}else{if(null!=c||null==a)return null;if(Y(b,"JU.M3"))d=JU.M4.newMV(b,new JU.P3);else if(Y(b,"JU.M4"))d=b;else{d=b[0];d.getRotationScale(g);d.rotTrans(k);a.toCartesian(k,!1);for(d=1;4>d;d++)g.rotate(e[d]),a.toCartesian(e[d],!0);return e}}d.getRotationScale(g);d.getTranslation(k);a.toCartesian(k,!1);for(d=1;4>d;d++)g.rotate(e[d]),
a.toCartesian(e[d],!0);return e},"JU.SimpleUnitCell,~O,JU.M4");c.addTrans=e(c,"addTrans",function(a,b){if(null!=a){var c=JU.PT.split(a,","),d=F(3,0);if(3==c.length)for(var e=0;3>e;e++){var k=c[e],g=k.indexOf("/");d[e]=0<=g?JU.PT.parseFloat(k.substring(0,g))/JU.PT.parseFloat(k.substring(g+1)):JU.PT.parseFloat(k)}b.add3(d[0],d[1],d[2])}},"~S,JU.P3");c.fixABC=e(c,"fixABC",function(a){var b=JU.PT.split(a[0],",");if(3!=b.length)return null;for(var c="",d="",e=!1,k=0;3>k;k++){var g=b[k],h,l=0;for(h=g.length;0<=
--h;){var j=g.charAt(h);switch(j.charCodeAt(0)){default:"a"<=j&&(h=0);break;case 43:l=1;case 45:h=-h}}h=-1-h;0==h?(c+=",0",d+=","+g):(e=!0,c+=","+g.substring(h+l),d+=","+g.substring(0,h))}a[0]=d.substring(1);return e?c.substring(1):null},"~A");e(c,"getVertices",function(){return this.vertices});e(c,"hasOffset",function(){return null!=this.fractionalOffset&&0!=this.fractionalOffset.lengthSquared()});e(c,"initOrientation",function(a){if(null!=a){var b=new JU.M4;b.setToM3(a);this.matrixFractionalToCartesian.mul2(b,
this.matrixFractionalToCartesian);this.matrixCartesianToFractional.setM4(this.matrixFractionalToCartesian).invert();this.initUnitcellVertices()}},"JU.M3");e(c,"initUnitcellVertices",function(){if(null!=this.matrixFractionalToCartesian){this.matrixCtoFNoOffset=JU.M4.newM4(this.matrixCartesianToFractional);this.matrixFtoCNoOffset=JU.M4.newM4(this.matrixFractionalToCartesian);this.vertices=Array(8);for(var a=8;0<=--a;)this.vertices[a]=this.matrixFractionalToCartesian.rotTrans2(JU.BoxInfo.unitCubePoints[a],
new JU.P3)}});e(c,"isSameAs",function(a){if(null==a)return!1;for(var b=this.getF2C(),c=0;3>c;c++)for(var d=0;4>d;d++)if(!JU.SimpleUnitCell.approx0(b[c][d]-a[c][d]))return!1;return!0},"~A");e(c,"getF2C",function(){if(null==this.f2c){this.f2c=F(3,4,0);for(var a=0;3>a;a++)this.matrixFractionalToCartesian.getRow(a,this.f2c[a])}return this.f2c});e(c,"isWithinUnitCell",function(a,b,c,d){switch(this.dimension){case 3:if(d.z<c-1-this.slop||d.z>c+this.slop)return!1;case 2:if(d.y<b-1-this.slop||d.y>b+this.slop)return!1;
case 1:if(d.x<a-1-this.slop||d.x>a+this.slop)return!1}return!0},"~N,~N,~N,JU.P3");e(c,"setCartesianOffset",function(a){this.cartesianOffset.setT(a);this.matrixFractionalToCartesian.m03=this.cartesianOffset.x;this.matrixFractionalToCartesian.m13=this.cartesianOffset.y;this.matrixFractionalToCartesian.m23=this.cartesianOffset.z;a=this.hasOffset();this.fractionalOffset=JU.P3.newP(this.cartesianOffset);this.matrixCartesianToFractional.rotate(this.fractionalOffset);this.matrixCartesianToFractional.m03=
-this.fractionalOffset.x;this.matrixCartesianToFractional.m13=-this.fractionalOffset.y;this.matrixCartesianToFractional.m23=-this.fractionalOffset.z;this.allFractionalRelative&&(this.matrixCtoFNoOffset.setM4(this.matrixCartesianToFractional),this.matrixFtoCNoOffset.setM4(this.matrixFractionalToCartesian));!a&&0==this.fractionalOffset.lengthSquared()&&(this.fractionalOffset=null);this.f2c=null},"JU.T3");e(c,"setOffset",function(a){if(null!=a){this.unitCellMultiplied=null;var b=Y(a,"JU.T4")?a:null,
c=null==b?1.4E-45:b.w,d=999999<c;if(null!=b?0>=c||d:100<=a.x||100<=a.y)if(this.unitCellMultiplier=0==a.z&&a.x==a.y&&!d?null:d?JU.P4.newPt(b):JU.P3.newP(a),this.unitCellMultiplied=null,null==b||0==b.w||d)return;if(this.hasOffset()||0<a.lengthSquared())this.fractionalOffset=JU.P3.newP(a);this.matrixCartesianToFractional.m03=-a.x;this.matrixCartesianToFractional.m13=-a.y;this.matrixCartesianToFractional.m23=-a.z;this.cartesianOffset.setT(a);this.matrixFractionalToCartesian.rotate(this.cartesianOffset);
this.matrixFractionalToCartesian.m03=this.cartesianOffset.x;this.matrixFractionalToCartesian.m13=this.cartesianOffset.y;this.matrixFractionalToCartesian.m23=this.cartesianOffset.z;this.allFractionalRelative&&(this.matrixCtoFNoOffset.setM4(this.matrixCartesianToFractional),this.matrixFtoCNoOffset.setM4(this.matrixFractionalToCartesian));this.f2c=null}},"JU.T3");e(c,"toFromPrimitive",function(a,b,c,d){var e=c.length-3,k=null;if("r"==b||null==d){switch(b.charCodeAt(0)){default:return!1;case 114:return JU.SimpleUnitCell.getReciprocal(c,
c,1),!0;case 80:a=!0;case 65:case 66:case 67:case 82:case 73:case 70:k=JS.UnitCell.getPrimitiveTransform(b)}a||k.invert()}else k=JU.M3.newM3(d),a&&k.invert();for(a=c.length;--a>=e;)b=c[a],this.toFractional(b,!0),k.rotate(b),this.toCartesian(b,!0);return!0},"~B,~S,~A,JU.M3");c.getPrimitiveTransform=e(c,"getPrimitiveTransform",function(a){switch(a.charCodeAt(0)){case 80:return JU.M3.newA9(F(-1,[1,0,0,0,1,0,0,0,1]));case 65:return JU.M3.newA9(F(-1,[1,0,0,0,0.5,0.5,0,-0.5,0.5]));case 66:return JU.M3.newA9(F(-1,
[0.5,0,0.5,0,1,0,-0.5,0,0.5]));case 67:return JU.M3.newA9(F(-1,[0.5,0.5,0,-0.5,0.5,0,0,0,1]));case 82:return JU.M3.newA9(F(-1,[0.6666667,-0.33333334,-0.33333334,0.33333334,0.33333334,-0.6666667,0.33333334,0.33333334,0.33333334]));case 73:return JU.M3.newA9(F(-1,[-0.5,0.5,0.5,0.5,-0.5,0.5,0.5,0.5,-0.5]));case 70:return JU.M3.newA9(F(-1,[0,0.5,0.5,0.5,0,0.5,0.5,0.5,0]))}return null},"~S");e(c,"toUnitCell",function(a,b){null!=this.matrixCartesianToFractional&&(null==b?(this.matrixCartesianToFractional.rotTrans(a),
this.unitize(a),this.matrixFractionalToCartesian.rotTrans(a)):(this.matrixCtoFNoOffset.rotTrans(a),this.unitize(a),a.add(b),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");e(c,"toUnitCellRnd",function(a,b){null!=this.matrixCartesianToFractional&&(null==b?(this.matrixCartesianToFractional.rotTrans(a),this.unitizeRnd(a),this.matrixFractionalToCartesian.rotTrans(a)):(this.matrixCtoFNoOffset.rotTrans(a),this.unitizeRnd(a),a.add(b),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");e(c,"unitize",
function(a){this.unitizeDim(this.dimension,a)},"JU.T3");e(c,"unitizeRnd",function(a){JU.SimpleUnitCell.unitizeDimRnd(this.dimension,a,this.slop)},"JU.T3");c.removeDuplicates=e(c,"removeDuplicates",function(a,b,c,d){for(0>d&&(d=a.size());b<d;b++)for(var e=a.get(b),k=Math.max(b+1,c);k<d;k++)1.96E-6>a.get(k).distanceSquared(e)&&(a.removeItemAt(k),d--,k--)},"JU.Lst,~N,~N,~N");e(c,"getCenter",function(a){var b=new JU.P3,c=this.getCartesianOffset(),d=this.getVertices(),e;switch(a){default:case 7:a=8;e=
1;break;case 3:a=8;e=2;break;case 4:a=2;e=1;break;case 2:a=3;e=2;break;case 1:a=8,e=4}for(var k=0,g=0;g<a;g+=e)b.add(d[g]),b.add(c),k++;b.scale(1/k);return b},"~N");c.unitVectors=H(-1,[JV.JC.axisX,JV.JC.axisY,JV.JC.axisZ])});ca("JS");ja(["J.api.AtomIndexIterator"],"JS.UnitCellIterator","JU.Lst $.P3 $.P3i JU.BoxInfo $.Logger $.Point3fi".split(" "),function(){var c=O(function(){this.translation=this.center=this.atoms=null;this.distance2=this.maxDistance2=this.nFound=0;this.p=this.t=this.maxXYZ=this.minXYZ=
this.unitCell=null;this.ipt=-2147483648;this.unitList=null;this.done=!1;this.listPt=this.nAtoms=0;P(this,arguments)},JS,"UnitCellIterator",null,J.api.AtomIndexIterator);e(c,"set",function(a,b,c,d,e){this.unitCell=a;this.atoms=c;this.addAtoms(d);this.p=new JU.P3;0<e&&this.setCenter(b,e);return this},"J.api.SymmetryInterface,JM.Atom,~A,JU.BS,~N");n(c,"setModel",function(){},"JM.ModelSet,~N,~N,~N,JU.T3,~N,J.atomdata.RadiusData");n(c,"setCenter",function(a,b){if(0!=b){this.maxDistance2=b*b;this.center=
a;this.translation=new JU.P3;var c=JU.BoxInfo.unitCubePoints,d=JU.P3.new3(3.4028235E38,3.4028235E38,3.4028235E38),e=JU.P3.new3(-3.4028235E38,-3.4028235E38,-3.4028235E38);this.p=new JU.P3;var k=new JU.P3;k.setT(a);this.unitCell.toFractional(k,!0);for(k=0;8>k;k++)this.p.scaleAdd2(-2,c[k],c[7]),this.p.scaleAdd2(b,this.p,a),this.unitCell.toFractional(this.p,!0),d.x>this.p.x&&(d.x=this.p.x),e.x<this.p.x&&(e.x=this.p.x),d.y>this.p.y&&(d.y=this.p.y),e.y<this.p.y&&(e.y=this.p.y),d.z>this.p.z&&(d.z=this.p.z),
e.z<this.p.z&&(e.z=this.p.z);this.minXYZ=JU.P3i.new3(C(Math.floor(d.x)),C(Math.floor(d.y)),C(Math.floor(d.z)));this.maxXYZ=JU.P3i.new3(C(Math.ceil(e.x)),C(Math.ceil(e.y)),C(Math.ceil(e.z)));JU.Logger.debugging&&JU.Logger.info("UnitCellIterator minxyz/maxxyz "+this.minXYZ+" "+this.maxXYZ);this.t=JU.P3i.new3(this.minXYZ.x-1,this.minXYZ.y,this.minXYZ.z);this.nextCell()}},"JU.T3,~N");n(c,"addAtoms",function(a){this.done=null==a;if(!this.done){this.unitList=new JU.Lst;for(var b="",c=this.unitCell.getSymmetryOperations(),
d=c.length,e=a.nextSetBit(0);0<=e;e=a.nextSetBit(e+1))for(var k=this.atoms[e],g=0;g<d;g++){var h=new JU.P3;h.setT(k);0<g?(this.unitCell.toFractional(h,!1),c[g].rotTrans(h),this.unitCell.unitize(h),this.unitCell.toCartesian(h,!1)):this.unitCell.toUnitCell(h,null);var l="_"+x(100*h.x)+"_"+x(100*h.y)+"_"+x(100*h.z)+"_";0<=b.indexOf(l)||(b+=l,this.unitList.addLast(H(-1,[k,h])))}this.nAtoms=this.unitList.size();this.done=0==this.nAtoms;JU.Logger.debugging&&JU.Logger.info("UnitCellIterator "+this.nAtoms+
" unique points found")}},"JU.BS");n(c,"hasNext",function(){for(;this.ipt<this.nAtoms||this.nextCell();)if(this.p.add2(this.unitList.get(this.listPt=this.ipt++)[1],this.translation),(this.distance2=this.p.distanceSquared(this.center))<this.maxDistance2&&0.1<this.distance2)return this.nFound++,!0;return!1});e(c,"nextCell",function(){if(this.done)return!1;if(++this.t.x>=this.maxXYZ.x&&(this.t.x=this.minXYZ.x,++this.t.y>=this.maxXYZ.y&&(this.t.y=this.minXYZ.y,++this.t.z>=this.maxXYZ.z)))return this.done=
!0,this.ipt=this.nAtoms,!1;this.translation.set(this.t.x,this.t.y,this.t.z);this.unitCell.toCartesian(this.translation,!1);this.ipt=0;return!0});n(c,"next",function(){return this.done||0>this.ipt?-1:this.getAtom().i});e(c,"getAtom",function(){return this.unitList.get(this.listPt)[0]});n(c,"foundDistance2",function(){return 0<this.nFound?this.distance2:3.4028235E38});n(c,"getPosition",function(){var a=this.getAtom();JU.Logger.debugging&&JU.Logger.info("draw ID p_"+this.nFound+" "+this.p+" //"+a+" "+
this.t);if(1E-4>this.p.distanceSquared(a))return a;var b=new JU.Point3fi;b.setT(this.p);b.i=a.i;b.sD=a.getElementNumber();return b});n(c,"release",function(){this.translation=this.center=this.atoms=null})});ca("JS");ja(["java.util.Hashtable","JU.P3","$.V3"],"JS.WyckoffFinder","JU.Lst $.M4 $.Measure $.P4 $.PT $.SB JS.SpaceGroup $.Symmetry $.SymmetryOperation".split(" "),function(){var c=O(function(){this.positions=null;this.ncent=this.npos=0;this.gpos=this.centeringStr=this.centerings=null;P(this,
arguments)},JS,"WyckoffFinder",null);V(c,function(b){if(null!=b){var a=b.get("gp");this.gpos=new JU.Lst;this.gpos.addAll(a);b=b.get("wpos");this.positions=b.get("pos");this.npos=this.positions.size();b=b.get("cent");if(null!=b){this.ncent=b.size();this.centeringStr=Array(this.ncent);this.centerings=Array(this.ncent);for(a=this.ncent;0<=--a;){var c=b.get(a);this.centeringStr[a]=c;this.centerings[a]=JS.SymmetryOperation.toPoint(c,null)}}}},"java.util.Map");e(c,"getWyckoffFinder",function(b,a){var c=
a.getClegId(),e=JS.WyckoffFinder.helpers.get(c);if(null!=e)return e;e=JS.WyckoffFinder.createHelper(b,c,a.groupType);null==e?(null==JS.WyckoffFinder.nullHelper&&(JS.WyckoffFinder.nullHelper=new JS.WyckoffFinder(null)),JS.WyckoffFinder.helpers.put(c,JS.WyckoffFinder.nullHelper)):JS.WyckoffFinder.helpers.put(c,e);return e},"JV.Viewer,JS.SpaceGroup");e(c,"findPositionFor",function(b,a){if(null!=this.positions)for(var c=a.equals("G"),e=c?1:this.npos;0<=--e;){var k=this.positions.get(e),g=k.get("label");
if(c||g.equals(a))return c=k.get("coord"),null!=c&&JS.WyckoffFinder.getWyckoffCoord(c,0,g).project(b),b}return null},"JU.P3,~S");e(c,"getInfo",function(b,a,c,e,k){b=this.createInfo(b,a,c,e,k);return null==b?"?":b},"JS.UnitCell,JU.P3,~N,~B,~B");c.wrap=e(c,"wrap",function(b,a){return a.appendC("(").append(b).appendC(")")},"~S,JU.SB");e(c,"createInfo",function(b,a,c,e){switch(c){case 83:return this.getCenteringStr(-1," ",null).toString().trim();case 67:e=Array(this.centerings.length);for(var k=e.length;0<=
--k;)e[k]=this.centerings[k];return e;case 42:var g=new JU.SB;this.getCenteringStr(-1,"+",g);for(k=this.npos;0<=--k;){var h=this.positions.get(k),l=(e?""+h.get("mult"):"")+h.get("label");g.appendC("\n").append(l);JS.WyckoffFinder.getList(0==k?this.gpos:h.get("coord"),l,g,0==k?this.ncent:0)}return g.toString();case -4:e=Array(this.npos);for(k=0;k<this.npos;k++)h=this.positions.get(k),e[k]=this.findPositionFor(JU.P3.newP(a),h.get("label")),b.toCartesian(e[k],!1);return H(-1,[e,"AlB C D FeF GaHeI GeK LiMgN OsP CaRhS T U V W XeYbZnAm"]);
case -1:case -2:case -3:for(k=this.npos;0<=--k;){h=this.positions.get(k);l=(e?""+h.get("mult"):"")+h.get("label");if(0==k)switch(c){case -1:return l;case -2:return"(x,y,z)";case -3:return b=new JU.SB,b.append(l).appendC(" "),this.getCenteringStr(-1,"+",b).appendC(" "),JS.WyckoffFinder.getList(this.gpos,l,b,this.ncent),b.toString()}for(var g=h.get("coord"),h=0,j=g.size();h<j;h++){var m=JS.WyckoffFinder.getWyckoffCoord(g,h,l);if(m.contains(this,b,a))switch(c){case -1:return l;case -2:return m.asString(null,
!0).toString();case -3:return b=new JU.SB,b.append(l).appendC(" "),this.getCenteringStr(-1,"+",b).appendC(" "),JS.WyckoffFinder.getList(g,l,b,0),b.toString()}}}break;default:j=""+String.fromCharCode(c);g=71==c;a=new JU.P3;for(k=g?1:this.npos;0<=--k;)if(h=this.positions.get(k),l=h.get("label"),g||l.equals(j)){b=new JU.SB;g&&b.append(l).appendC(" ");g=0==k?this.gpos:h.get("coord");JS.WyckoffFinder.getList(g,(e?h.get("mult"):"")+j,b,0);if(0<k&&0<this.ncent){k=new JU.M4;for(e=0;e<this.ncent;e++)this.addCentering(g,
this.centerings[e],k,a,b)}return b.toString()}}return null},"JS.UnitCell,JU.P3,~N,~B,~B");c.createHelper=e(c,"createHelper",function(b,a,c){var e=0<c?a.substring(2):a,k=e.indexOf(":"),e=JU.PT.parseInt(0>k?e:e.substring(0,k));if(!JS.SpaceGroup.isInRange(e,c,!1,!1))return null;c=JS.Symmetry.getITJSONResource(b,c,e,null);if(null==c)return null;c=c.get("its");for(var k=null,g=!1,h=0,l=c.size();h<l;h++)if(k=c.get(h),a.equals(k.get("clegId"))){g=!0;break}if(!g||k.containsKey("more"))k=JS.SpaceGroup.fillMoreData(b,
g?k:null,a,e,c.get(0));return new JS.WyckoffFinder(k)},"JV.Viewer,~S,~N");e(c,"getCenteringStr",function(b,a,c){null==c&&(c=new JU.SB);if(0==this.ncent)return c;if(0<=b)return c.appendC(a),JS.WyckoffFinder.wrap(this.centeringStr[b],c);for(b=0;b<this.ncent;b++)c.appendC(a),JS.WyckoffFinder.wrap(this.centeringStr[b],c);return c},"~N,~S,JU.SB");c.getList=e(c,"getList",function(b,a,c,e){null==c&&(c=new JU.SB);e=0==e?b.size():C(b.size()/(e+1));for(var k=0;k<e;k++){var g=JS.WyckoffFinder.getWyckoffCoord(b,
k,a);c.append(" ");g.asString(c,!1)}return c},"JU.Lst,~S,JU.SB,~N");e(c,"addCentering",function(b,a,c,e,k){for(var g=b.size(),h=0;h<g;h++){var l=b.get(h);k.append(" ");l.asStringCentered(a,c,e,k)}},"JU.Lst,JU.P3,JU.M4,JU.P3,JU.SB");c.getWyckoffCoord=e(c,"getWyckoffCoord",function(b,a,c){var e=b.get(a);"string"==typeof e&&b.set(a,e=new JS.WyckoffFinder.WyckoffCoord(e,c));return e},"JU.Lst,~N,~S");var a=O(function(){this.type=0;this.label=this.xyz=null;this.thisCentering="";this.plane=this.line=this.point=
this.op=null;P(this,arguments)},JS.WyckoffFinder,"WyckoffCoord",null);V(a,function(b,a){this.xyz=b;this.label=a;this.create(b)},"~S,~S");e(a,"asStringCentered",function(b,a,c,e){a.setM4(this.op);a.add(b);a.getTranslation(c);c.x%=1;c.y%=1;c.z%=1;a.setTranslation(c);e.appendC(" ");b=","+JS.SymmetryOperation.getXYZFromMatrixFrac(a,!1,!0,!1,!0,null)+",";b=JU.PT.rep(b,",,",",0,");b=JU.PT.rep(b,",+",",");e.appendC("(").append(b.substring(1,b.length-1)).appendC(")")},"JU.P3,JU.M4,JU.P3,JU.SB");e(a,"contains",
function(b,a,c){var e=a.getPrecision();this.thisCentering=null;if(this.checkLatticePt(c,e))return!0;if(null==b.centerings)return!1;for(var k=b.centerings.length;0<=--k;)if(JS.WyckoffFinder.WyckoffCoord.pc.add2(c,b.centerings[k]),a.unitize(JS.WyckoffFinder.WyckoffCoord.pc),this.checkLatticePt(JS.WyckoffFinder.WyckoffCoord.pc,e))return this.thisCentering=b.centeringStr[k],!0;return!1},"JS.WyckoffFinder,JS.UnitCell,JU.P3");e(a,"project",function(b){switch(this.type){case 1:b.setT(this.point);break;case 2:JU.Measure.projectOntoAxis(b,
this.point,this.line,JS.WyckoffFinder.WyckoffCoord.vt);break;case 3:JU.Measure.getPlaneProjection(b,this.plane,JS.WyckoffFinder.WyckoffCoord.vt,JS.WyckoffFinder.WyckoffCoord.vt),b.setT(JS.WyckoffFinder.WyckoffCoord.vt)}},"JU.P3");e(a,"asString",function(b,a){null==b&&(b=new JU.SB);JS.WyckoffFinder.wrap(this.xyz,b);a&&null!=this.thisCentering&&(b.appendC("+"),JS.WyckoffFinder.wrap(this.thisCentering,b));return b},"JU.SB,~B");e(a,"checkLatticePt",function(b,a){if(this.checkPoint(b,a))return!0;for(var c=
62,e=-2;3>e;e++)for(var k=-2;3>k;k++)for(var g=-2;3>g;g++,c--)if(0!=c&&(JS.WyckoffFinder.WyckoffCoord.p3.set(e,k,g),JS.WyckoffFinder.WyckoffCoord.p3.add(b),this.checkPoint(JS.WyckoffFinder.WyckoffCoord.p3,a)))return System.out.println(this.label+" "+this.xyz+" found for "+e+" "+k+" "+g),!0;return!1},"JU.P3,~N");e(a,"checkPoint",function(b,a){var c=1;switch(this.type){case 1:c=this.point.distance(b);break;case 2:JS.WyckoffFinder.WyckoffCoord.p1.setT(b);JU.Measure.projectOntoAxis(JS.WyckoffFinder.WyckoffCoord.p1,
this.point,this.line,JS.WyckoffFinder.WyckoffCoord.vt);c=JS.WyckoffFinder.WyckoffCoord.p1.distance(b);break;case 3:c=Math.abs(JU.Measure.getPlaneProjection(b,this.plane,JS.WyckoffFinder.WyckoffCoord.vt,JS.WyckoffFinder.WyckoffCoord.vt))}return c<a},"JU.P3,~N");e(a,"create",function(b){var a=(0<=b.indexOf("x")?1:0)+(0<=b.indexOf("y")?1:0)+(0<=b.indexOf("z")?1:0),c=F(16,0),e=JU.PT.split(this.xyz,",");JS.WyckoffFinder.WyckoffCoord.getRow(e[0],c,0);JS.WyckoffFinder.WyckoffCoord.getRow(e[1],c,4);JS.WyckoffFinder.WyckoffCoord.getRow(e[2],
c,8);c[15]=1;this.op=JU.M4.newA16(c);switch(a){case 0:this.type=1;this.point=JS.SymmetryOperation.toPoint(b,null);break;case 1:this.type=2;JS.WyckoffFinder.WyckoffCoord.p1.set(0.19,0.53,0.71);this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p1);JS.WyckoffFinder.WyckoffCoord.p2.set(0.51,0.27,0.64);this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p2);JS.WyckoffFinder.WyckoffCoord.p2.sub2(JS.WyckoffFinder.WyckoffCoord.p2,JS.WyckoffFinder.WyckoffCoord.p1);JS.WyckoffFinder.WyckoffCoord.p2.normalize();this.point=
JU.P3.newP(JS.WyckoffFinder.WyckoffCoord.p1);this.line=JU.V3.newV(JS.WyckoffFinder.WyckoffCoord.p2);break;case 2:this.type=3,JS.WyckoffFinder.WyckoffCoord.p1.set(0.19,0.51,0.73),this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p1),JS.WyckoffFinder.WyckoffCoord.p2.set(0.23,0.47,0.86),this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p2),JS.WyckoffFinder.WyckoffCoord.p3.set(0.1,0.2,0.3),this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p3),this.plane=JU.Measure.getPlaneThroughPoints(JS.WyckoffFinder.WyckoffCoord.p1,
JS.WyckoffFinder.WyckoffCoord.p2,JS.WyckoffFinder.WyckoffCoord.p3,null,null,new JU.P4)}},"~S");a.getRow=e(a,"getRow",function(b,a,c){b=JU.PT.rep(b,"-","+-");b=JU.PT.rep(b,"x","*x");b=JU.PT.rep(b,"y","*y");b=JU.PT.rep(b,"z","*z");b=JU.PT.rep(b,"-*","-");b=JU.PT.rep(b,"+*","+");for(var e=JU.PT.split(b,"+"),k=e.length;0<=--k;)if(b=e[k],0!=b.length){var g=3;if(0<=b.indexOf("."))b=JU.PT.parseFloat(b),a[c+g]=b;else{var h=0,l=1;switch(b.charAt(0).charCodeAt(0)){case 45:l=-1;case 42:h++}for(var j=0,m=b.length,
n=0;--m>=h;){var p=b.charAt(m);switch(p.charCodeAt(0)){case 120:g=0;j=1;break;case 121:j=g=1;break;case 122:g=2;j=1;break;case 47:n=1,j=1/j;case 42:l*=j;j=0;break;default:p="0123456789".indexOf(p),0>p&&System.err.println("WH ????"),0==j?j=p:(n=0==n?10:10*n,j+=n*p)}}a[c+g]=l*j}}},"~S,~A,~N");n(a,"toString",function(){return this.asString(null,!1).toString()});a.p1=new JU.P3;a.p2=new JU.P3;a.p3=new JU.P3;a.pc=new JU.P3;a.vt=new JU.V3;c.nullHelper=null;c.helpers=new java.util.Hashtable});ca("JS");ja(["JU.M4"],
"JS.CLEG","java.util.Arrays JU.AU $.BS $.P3 $.PT JS.SV JS.SpaceGroup $.UnitCell JV.Viewer".split(" "),function(){var c=$a(JS,"CLEG",null);c.standardizeTokens=e(c,"standardizeTokens",function(b,a){for(var c=b.length;0<=--c;){var e=b[c];if(0!=e.length){e=JS.CLEG.cleanCleg000(e);if(e.endsWith(":h"))e.startsWith("R")||(e=e.substring(0,e.length-2));else if(a||!e.endsWith(":2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"))e.endsWith(":r")?e.startsWith("R")||(e=e.substring(0,e.length-1)+"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"):
e.equals("r")?e="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":e.equals("h")&&(e="a-b,b-c,a+b+c");b[c]=e}}System.out.println("MK StandardizeTokens "+java.util.Arrays.toString(b))},"~A,~B");c.cleanCleg000=e(c,"cleanCleg000",function(b){return b.endsWith(";0,0,0")?b.substring(0,b.length-6):b},"~S");c.isProbableClegSetting=e(c,"isProbableClegSetting",function(b){var a=b.indexOf(":"),c=JS.SpaceGroup.getExplicitSpecialGroupType(b);return 0<=c&&0<a&&0<JS.SpaceGroup.getITNo(0==c?b:b.substring(2),a)&&b.indexOf(",")>
a?a:0},"~S");c.checkFullSyntax=e(c,"checkFullSyntax",function(b,a,c){for(var e=0;e<b.length;e++){var k=b[e].trim();if(!(null==k||0==k.length||k.startsWith("sub")||k.startsWith("super"))){var g=JS.SpaceGroup.getExplicitSpecialGroupType(k);0<g&&(k=k.substring(2));var h=k.indexOf(":"),l=k.indexOf(",",h+1),j=k.indexOf("."),m=0<h&&l>h,n=k.indexOf("]"),n=0<n&&"["==k.charAt(0)&&(0>h||h==n+1)?1:JU.PT.parseFloatStrict(0<h?k.substring(0,h):k);if(Float.isNaN(n)){if(0<j||m)return!1}else if(!JS.SpaceGroup.isInRange(n,
g,!m,c&&0==g))return!1;if(!(0>l)&&(k=0<h?k.substring(h+1):k,0==a.convertTransform(k,null).determinant3()))return!1}}return!0},"~A,J.api.SymmetryInterface,~B");c.getCalcType=e(c,"getCalcType",function(b){return 0==b.length||b.equals("sub")?"sub":"s"!=b.charAt(0)?null:b.startsWith("sub(")?"sub(":b.equals("super")?"super":b.startsWith("super(")?"super(":null},"~S");c.isTransformOnly=e(c,"isTransformOnly",function(b){return JS.CLEG.isTransform(b,!1)&&0>b.indexOf(":")},"~S");c.isTransform=e(c,"isTransform",
function(b,a){return 0==b.length||(0<b.indexOf(",")||0<="!r!h".indexOf(b))||a&&(b.endsWith(":r")||b.endsWith(":h"))},"~S,~B");e(c,"getMatrixTransform",function(a,c,d){0==c.length&&(c=".");0>c.indexOf(">")&&!c.equals(".")&&(c=">>"+c);var e=JU.PT.split(c,">");0==e[0].length&&(e[0]="ref");var k=new JS.CLEG.ClegData(a.getSymTemp(),e),g=Y(d,"java.util.Map")?d:null;d=null==g&&Y(d,"JU.Lst")?d:null;k.setReturnMap(g);k.setReturnLst(d);a=JS.CLEG.assignSpaceGroup(k,new JS.CLEG.AssignedSGParams(a,c.equals(".")));
if(0<a.indexOf("!"))return System.err.println(a),null!=g&&g.put("error",a),null;null==d&&null==g&&(System.out.println("CLEG transform: "+JU.PT.join(e,">",0)),c=k.abcFor(k.trMat),System.out.println("CLEG transform: "+e[0]+">"+c+">"+e[e.length-1]));return k.trMat},"JV.Viewer,~S,~O");e(c,"transformSpaceGroup",function(a,c,d,e,k){var g=a.getCurrentUnitCell(),h=a.getOperativeSymmetry();null!=g&&h!==g&&h.getUnitCell(g.getV0abc(null,null),!1,"modelkit");0<=d.indexOf("<")&&(d=JU.PT.rep(d,"<<",">super>").$replace("<",
">"));if(0==d.length||d.endsWith(">"))d+=".";g=new JS.CLEG.ClegData(a.getSymTemp(),JU.PT.split(d,">"));a=new JS.CLEG.AssignedSGParams(a,h,c,e,0,!1,k,d.equals("."));c=JS.CLEG.assignSpaceGroup(g,a);if(c.endsWith("!"))return c;a.mkIsAssign&&k.append(c);return c},"JV.Viewer,JU.BS,~S,~O,JU.SB");c.assignSpaceGroup=e(c,"assignSpaceGroup",function(a,c){var d=c.vwr,e=c.mkIndex,k=a.tokens,g=0>e;g&&(e=0);if(e>=k.length)return"invalid CLEG expression!";var h=null!=c.mkParamsOrUC;if(1<k.length&&h)return"invalid syntax - can't mix transformations and UNITCELL option!";
0==e&&!g&&JS.CLEG.standardizeTokens(k,!1);var l=e==k.length-1,j=k[e].trim(),m=j.equals("."),n=l?m:JS.CLEG.isTransformOnly(k[e+1])&&0<k[e+1].length;if(0==e){if(0==j.length||m){if(null==c.mkSym00)return"no starting space group for CLEG!";if(!c.mkIsAssign)return k[0]=c.mkSym00.getSpaceGroupClegId(),c.mkIndex=m&&l?0:1,c.mkWasNode=1==c.mkIndex,c.mkIgnoreAllSettings=n,JS.CLEG.assignSpaceGroup(a,c)}if(c.mkIsAssign&&null==c.mkSym00)return"no starting space group for calculation!"}var p=null!=JS.CLEG.getCalcType(j);
if((p||JS.CLEG.isTransformOnly(j))!=c.mkWasNode)return"invalid CLEG expression, not node>transform>node>transform>....!";c.mkWasNode=!c.mkWasNode;var v=p?j:null;p&&(j=k[++e].trim(),l=e==k.length-1);l&&(m&&null!=a.getPrevNode())&&(j=a.getPrevNode().getCleanITAName());var q=j.lastIndexOf(":"),u=null==c.mkSym00,t=!1,w=JS.CLEG.isTransform(j,!1),x=w&&!(w&&0<=q),y=!1,B=!1,q=a.sym,w=null;if(!x&&(a.setSymmetry(q),w=new JS.CLEG.ClegNode(a,e,j),null!=a.errString))return a.errString;if(null==a.getPrevNode()){if(!JS.CLEG.checkFullSyntax(k,
q,JS.CLEG.allow300))return"invalid CLEG expression!";if(!c.mkCalcOnly&&!x&&u&&!w.isDefaultSetting()){y=H(-1,[w.specialPrefix+w.myIta]);u=c.mkCalcOnly?new JS.CLEG.AssignedSGParams(d,!1):new JS.CLEG.AssignedSGParams(d,null,null,c.mkParamsOrUC,-1,!0,c.mkSb,!1);y=new JS.CLEG.ClegData(d.getSymTemp(),y);u=JS.CLEG.assignSpaceGroup(y,u);if(u.endsWith("!"))return u;c.mkCalcOnly?(q=c.mkSym00=y.sym,a.trMat=y.trMat):c.mkSym00=d.getOperativeSymmetry();if(null==c.mkSym00)return"CLEG spacegroup initialization error!";
u=!1;y=!0}var B=0==e&&(!c.mkCalcOnly&&!u&&n||c.mkIsAssign),n=u?null:c.mkSym00.getSpaceGroupClegId(),A=null;if(!u&&!(null==n||n.equals("0"))){var D=n.indexOf(":");0<D&&(A=n.substring(D+1),n=n.substring(0,D));B&&(A=c.mkSym00.getSpaceGroupInfoObj("itaTransform",null,!1,!1))}null==a.trMat&&(a.trMat=new JU.M4,a.trMat.setIdentity());if(!c.mkIsAssign&&(a.setSymmetry(q),a.setPrevNode(new JS.CLEG.ClegNode(a,-1,null==n?null:n+":"+A)),c.mkIgnoreAllSettings&&a.getPrevNode().disable(),!a.getPrevNode().update(a)))return a.errString}if(p&&
!a.getPrevNode().setCalcNext(a,v))return a.errString;if(x){if(l)return"CLEG pathway is incomplete!";0<j.length&&a.addTransform(e,j);++c.mkIndex;return JS.CLEG.assignSpaceGroup(a,c)}if(!B){a.setSymmetry(q);if(!w.update(a))return a.errString;l&&m&&a.setNodeTransform(w);a.updateTokens(w)}if(!l)return c.mkIndex++,a.setPrevNode(w),JS.CLEG.assignSpaceGroup(a,c);m=l=e=null;e=!h||!JU.AU.isAD(c.mkParamsOrUC)?null:c.mkParamsOrUC;u&&(q.setUnitCellFromParams(null==e?F(-1,[10,10,10,90,90,90]):e,!1,NaN),c.mkParamsOrUC=
null,h=!1);h?JU.AU.isAD(c.mkParamsOrUC)?e=c.mkParamsOrUC:(l=c.mkParamsOrUC,m=l[0]):u||(a.setSymmetry(q=c.mkSym00),null==a.trMat&&(a.trMat=new JU.M4,a.trMat.setIdentity()),l=q.getV0abc(H(-1,[a.trMat]),null),m=l[0]);null!=l&&(e=q.getUnitCell(l,!1,"assign").getUnitCellParams(),null==m&&(m=l[0]));h=j.equalsIgnoreCase("P1")||j.equals("ITA/1.1");try{var z,C,p=-1;if(c.mkCalcOnly)c.mkBitset=z=new JU.BS,C=!0;else{if(null!=c.mkBitset&&c.mkBitset.isEmpty())return"no atoms specified!";z=d.getThisModelAtoms();
var L=h?z:JS.SV.getBitSet(d.evaluateExpressionAsVariable("{within(unitcell)}"),!0);null==c.mkBitset&&(c.mkBitset=z);null!=c.mkBitset&&(z.and(c.mkBitset),h||z.and(L));p=(C=z.isEmpty())&&0>d.am.cmi?0:C?d.am.cmi:d.ms.at[z.nextSetBit(0)].getModelIndex();c.mkIsAssign||d.ms.getModelAuxiliaryInfo(p).remove("spaceGroupInfo")}!u&&!c.mkIsAssign&&q.saveOrRetrieveTransformMatrix(a.trMat);null==e&&(e=q.getUnitCellMultiplied().getUnitCellParams());var t=(new Boolean(t|c.mkIsAssign)).valueOf(),I=C&&t?null:d.findSpaceGroup(q,
t?z:null,t?null:w.getName(),e,m,l,2|(c.mkCalcOnly?16:0)|(!u||c.mkIsAssign?0:4));if(null==I)return"Space group "+w.getName()+" is unknown or not compatible!";if(null==l||u)l=I.get("unitcell");var j=I.get("name"),O=I.get("jmolId"),P=I.get("basis"),M=I.remove("sg");q.getUnitCell(l,!1,null);q.setSpaceGroupTo(null==M?O:M);q.setSpaceGroupName(j);if(c.mkCalcOnly)return a.setSymmetry(q),"OK";null==P&&(P=q.removeDuplicates(d.ms,z,!0));d.ms.setSpaceGroup(p,q,P);if(c.mkIsAssign)return j;(u||y)&&d.runScript("unitcell on; center unitcell;axes unitcell; axes 0.1; axes on;set perspectivedepth false;moveto 0 axis c1;draw delete;show spacegroup");
var E=a.abcFor(a.trMat);if(!g){JS.CLEG.standardizeTokens(k,!0);var U=JU.PT.join(k,">",0)+(P.isEmpty()?"":"\n basis="+P);System.out.println("CLEG="+U);c.mkSb.append(U).append("\n")}return E}catch(V){if(Q(V,Exception))return JV.Viewer.isJS||V.printStackTrace(),V.getMessage()+"!";throw V;}},"JS.CLEG.ClegData,JS.CLEG.AssignedSGParams");var a=O(function(){this.retLst=this.retMap=this.prevNode=this.trTemp=this.trLink=this.errString=this.trMat=this.sym=this.tokens=null;this.asM4=!1;P(this,arguments)},JS.CLEG,
"ClegData",null);ka(a,function(){this.trTemp=new JU.M4});V(a,function(a,c){this.tokens=c;this.sym=a},"J.api.SymmetryInterface,~A");e(a,"setSymmetry",function(a){this.sym=a},"J.api.SymmetryInterface");e(a,"addSGTransform",function(a,c){null==this.trMat&&(System.out.println("ClegData reset"),this.trMat=new JU.M4,this.trMat.setIdentity());null!=a&&this.trMat.mul(this.matFor(a));null!=c&&System.out.println("ClegData adding "+c+" "+a+" now "+this.abcFor(this.trMat));return this.trMat},"~S,~S");e(a,"abcFor",
function(a){return this.sym.staticGetTransformABC(a,!1)},"JU.M4");e(a,"matFor",function(a){return this.sym.convertTransform(a,0<a.indexOf(">")?null:this.trTemp)},"~S");e(a,"removePrevNodeTrm",function(){null!=this.prevNode&&(null!=this.prevNode.myTrm&&!this.prevNode.disabled)&&this.addSGTransform("!"+this.prevNode.myTrm,"!prevNode.myTrm")});e(a,"calculate",function(a){a.invert();var c=JU.M4.newM4(this.trMat);c.mul(a);return this.sym.convertTransform(null,c)},"JU.M4");e(a,"updateTokens",function(a){var c=
a.index,d=a.name,d=d.startsWith("ITA/")?d.substring(4):a.myIta+":"+a.myTrm;this.setToken(c,d);null!=a.calculated&&0<c&&this.setToken(c-1,a.calculated)},"JS.CLEG.ClegNode");e(a,"setToken",function(a,c){this.tokens[a]=c},"~N,~S");e(a,"addTransformLink",function(){null==this.trLink&&(this.trLink=new JU.M4,this.trLink.setIdentity());this.trLink.mul(this.trTemp)});e(a,"setNodeTransform",function(a){a.myTrm=this.abcFor(this.trMat);a.setITAName()},"JS.CLEG.ClegNode");e(a,"addTransform",function(a,c){this.addSGTransform(c,
">t>");this.addTransformLink();System.out.println("CLEG.addTransform index="+a+" trm="+this.trMat)},"~N,~S");e(a,"getPrevNode",function(){return this.prevNode});e(a,"setPrevNode",function(a){return this.prevNode=a},"JS.CLEG.ClegNode");e(a,"addPrimitiveTransform",function(a,c){var d=this.sym.getSpaceGroupInfoObj("hmName",a+":"+c,!1,!1);if(null==d)return c;d=d.charAt(0);if(0>"ABCFI".indexOf(d))return c;d=JU.M4.newMV(JS.UnitCell.getPrimitiveTransform(d),JU.P3.new3(0,0,0));d.mul(this.matFor(c));return this.abcFor(d)},
"~S,~S");e(a,"setReturnMap",function(a){null!=a&&(this.asM4=a.get("ASM4")===Boolean.TRUE,a.clear());this.retMap=a},"java.util.Map");e(a,"setReturnLst",function(a){null!=a&&a.clear();this.retLst=a},"JU.Lst");a=O(function(){this.myTrm=this.myIta=this.name=null;this.index=0;this.calcNext=null;this.calcIndexMax=this.calcIndexMin=this.calcDepthMax=this.calcDepthMin=this.calcI2=this.calcI1=0;this.calculated=null;this.isThisModelCalc=this.disabled=!1;this.hallSymbol=null;this.specialType=0;this.specialPrefix=
"";P(this,arguments)},JS.CLEG,"ClegNode",null);V(a,function(a,c,d){null!=d&&(this.index=c,this.init(a,d))},"JS.CLEG.ClegData,~N,~S");e(a,"disable",function(){this.disabled=!0});e(a,"checkSpecial",function(a){switch(this.specialType=JS.SpaceGroup.getExplicitSpecialGroupType(a)){case -1:return null;case 0:if(!JS.CLEG.allow300)return a;var c=a.indexOf("."),c=0<c?a.substring(0,c):a,d=JS.SpaceGroup.getITNo(c,0);if(300>d)return a;if(600<d)return null;this.specialType=100*C(d/100);this.specialPrefix=JS.SpaceGroup.getGroupTypePrefix(d);
return""+(d-this.specialType)+a.substring(c.length);default:return this.specialPrefix=a.substring(0,2),a.substring(2)}},"~S");e(a,"init",function(a,c){var d=JS.CLEG.isProbableClegSetting(c);0<d&&(this.myIta=c.substring(0,d),this.myTrm=c.substring(d+1));c.equals("ref")&&(this.isThisModelCalc=!0);c=this.checkSpecial(c);var e=c.endsWith(":p");e&&(c=c.substring(0,c.length-2));var k=c.startsWith("ITA/");k&&(c=this.checkSpecial(c.substring(4)));var g=!1,h=this.hallSymbol=null;if(0==this.specialType&&"["==
c.charAt(0)){d=c.indexOf("]");if(0>d){a.errString="invalid Hall symbol: "+c+"!";return}this.hallSymbol=c.substring(1,d);d=this.hallSymbol.indexOf("(");0<d&&(h=this.hallSymbol.substring(d+1,this.hallSymbol.length-1)+" ",this.hallSymbol=this.hallSymbol.substring(0,d).trim(),h=JU.PT.rep(h," ","/12,"),h="a,b,c;"+h.substring(0,h.length-1));d=c.indexOf(":");0<d&&(this.myTrm=c.substring(d+1));c="Hall:"+this.hallSymbol}else c.startsWith("HM:")?g=!0:3>=c.length&&(k=0<JS.SpaceGroup.getITNo(c,0))&&(c=this.checkSpecial(c)+
".1");!k&&(null==this.hallSymbol&&!g)&&(d=JU.PT.isDigit(c.charAt(0))?c.indexOf(" "):-1,0<d&&(c=c.substring(0,d)),0<c.indexOf(".")&&!Float.isNaN(JU.PT.parseFloat(c))&&(k=!0));if(k){this.myTrm=c.endsWith(".1")?"a,b,c":a.sym.getSpaceGroupInfoObj("itaTransform",this.specialPrefix+c,!1,!1);if(null==this.myTrm){a.errString="Unknown ITA setting: "+this.specialPrefix+c+"!";return}this.myIta=JU.PT.split(c,".")[0]}else null==this.myIta&&(this.myIta=a.sym.getSpaceGroupInfoObj("itaNumber",this.specialPrefix+
c,!1,!1)),null==this.myTrm&&(this.myTrm=a.sym.getSpaceGroupInfoObj("itaTransform",this.specialPrefix+c,!1,!1)),null!=this.hallSymbol&&null!=h&&(this.myTrm=h+(this.myTrm.equals("a,b,c")?"":">"+this.myTrm));"0".equals(this.myIta)?a.errString="Could not get ITA space group for "+c+"!":(e&&(this.myTrm=a.addPrimitiveTransform(this.myIta,this.myTrm)),this.setITAName())},"JS.CLEG.ClegData,~S");e(a,"setITAName",function(){return this.name="ITA/"+this.specialPrefix+this.myIta+":"+this.myTrm});e(a,"update",
function(a){if(null!=a.errString)return!1;if(null==this.name)return!0;var c=a.prevNode;c.isThisModelCalc&&(c.myIta=this.myIta);if(!(null==a.trLink&&null!=this.myIta&&(this.myIta.equals(c.myIta)||null!=c.calcNext)))return!0;var d=JU.M4.newM4(a.trMat);a.removePrevNodeTrm();var e=null;if(null!=c.calcNext){var k=!0,g=e=!1;switch(c.calcNext){case "super(":case "sub(":g=!0;break;case "super":k=!1;break;case "":case "set":c.calcNext="set",e=!0}var h=JU.PT.parseInt(c.myIta),l=JU.PT.parseInt(this.myIta);if(g||
!(null==a.retLst&&(null==a.retMap||a.asM4)&&e&&h==l)){e=a.sym.getSubgroupJSON(k?c.name:this.name,k?this.name:c.name,c.calcI1,c.calcI2,c.calcIndexMax<<24|c.calcIndexMin<<16|c.calcDepthMax<<8|c.calcDepthMin,a.retMap,a.retLst);if(g=null!=e){if(e.endsWith("!"))return a.errString=e,!1;k||(e="!"+e)}c=c.myIta+">"+(g?e:"?")+">"+this.myIta;if(!g)return a.errString=c+"!",!1;a.addSGTransform(e,"sub")}}this.disabled||a.addSGTransform(this.myTrm,"myTrm");this.calculated=a.calculate(d);System.out.println("calculated is "+
this.calculated+(null==a.retMap?"":" for the path "+a.retMap.get("indexPath")));return!0},"JS.CLEG.ClegData");e(a,"getName",function(){return this.name});e(a,"getCleanITAName",function(){var a=this.name.startsWith("ITA/")?this.name.substring(4):this.name;0!=this.specialType&&!a.startsWith(this.specialPrefix)&&(a=this.specialPrefix+a);return a});e(a,"isDefaultSetting",function(){return null==this.myTrm||JS.CLEG.cleanCleg000(this.myTrm).equals("a,b,c")});e(a,"setCalcNext",function(a,c){var d=c.length;
switch(0==d?c:JS.CLEG.getCalcType(c)){case "sub":if(null!=a.retLst||null!=a.retMap){d=0;break}case "super":this.calcI2=this.calcI1=1;d=3;break;case "sub(":d=-3;break;case "super(":d=-5}for(var e=!0;;){if(0==d)this.calcIndexMin=2,this.calcIndexMax=255,this.calcDepthMin=1,this.calcDepthMax=255,e=!1;else if(0<d)this.calcIndexMin=2,this.calcIndexMax=255,this.calcDepthMax=this.calcDepthMin=1,e=!1;else{if(c.indexOf(")")!=c.length-1)break;var k=JU.PT.split(JU.PT.trim(c.toLowerCase().substring(-d+1),")"),
",");try{if(5==c.length||0<=c.indexOf("=")){this.calcIndexMin=2;this.calcIndexMax=255;this.calcDepthMin=1;this.calcDepthMax=255;c=c.substring(0,-d);for(var g=k.length;0<=--g;){var h=k[g],l=Math.min(255,Integer.parseInt(h.substring(h.indexOf("=")+1)));h.startsWith("indexmax=")?this.calcIndexMax=Math.max(2,l):h.startsWith("indexmin=")?this.calcIndexMin=Math.max(2,l):h.startsWith("index=")&&(this.calcIndexMin=this.calcIndexMax=Math.max(2,l));h.startsWith("depthmax=")?this.calcDepthMax=Math.max(1,l):
h.startsWith("depthmin=")?this.calcDepthMin=Math.max(1,l):h.startsWith("depth=")&&(this.calcDepthMin=this.calcDepthMax=Math.max(1,l))}}else switch(k.length){case 2:this.calcI2=Math.max(0,Integer.parseInt(k[1]))&255;case 1:this.calcI1=Math.max(1,Integer.parseInt(k[0]))&255}c=c.substring(0,-d);e=!1}catch(j){if(!Q(j,Exception))throw j;}}break}if(e)return a.errString="Error parsing CLEG "+c+"!",!1;this.calcNext=c;return!0},"JS.CLEG.ClegData,~S");n(a,"toString",function(){return"[ClegNode #"+this.index+
" "+this.name+"   "+this.myIta+":"+this.myTrm+(this.disabled?" disabled":"")+"]"});a=O(function(){this.vwr=null;this.mkIsAssign=this.mkCalcOnly=!1;this.mkSb=null;this.mkIgnoreAllSettings=!1;this.mkParamsOrUC=this.mkBitset=this.mkSym00=null;this.mkWasNode=!1;this.mkIndex=0;P(this,arguments)},JS.CLEG,"AssignedSGParams",null);V(a,function(a,c){this.vwr=a;this.mkCalcOnly=!0;this.mkIsAssign=!1;this.mkSb=null;c&&(this.mkSym00=a.getOperativeSymmetry())},"JV.Viewer,~B");V(a,function(a,c,d,e,k,g,h,l){this.vwr=
a;this.mkCalcOnly=!1;this.mkIndex=k;this.mkSym00=c;this.mkBitset=d;this.mkParamsOrUC=e;this.mkIgnoreAllSettings=g;this.mkSb=h;this.mkIsAssign=l},"JV.Viewer,J.api.SymmetryInterface,JU.BS,~O,~N,~B,JU.SB,~B");c.allow300=!1})})(Clazz,Clazz.getClassName,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage,Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,
Clazz.newIntArray,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined,Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs,Clazz.floatToShort,Clazz.superCall,Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,
Clazz.isAB,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod,Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals);
