(function(xa,ya,za,Aa,A,Ba,Y,X,ba,O,P,y,Ca,K,Da,I,R,H,pa,ca,la,Ea,va,Fa,ka,sa,ta,Q,Ga,Ha,ma,Ia,Ja,Ka,La,ua,Ma,Na,Oa,Pa,Qa,Ra,Sa,Ta,Ua,Va,Wa,Xa,Ya,Za,$a,ab,bb,cb,db,d,m){Y("J.adapter.smarter");ba(["JS.Symmetry","JU.P3","$.SB"],"J.adapter.smarter.XtalSymmetry","java.util.Hashtable JU.BS $.Lst $.M3 $.M4 $.P3i $.PT $.V3 J.adapter.smarter.Atom JS.SpaceGroup $.SymmetryOperation $.UnitCell JU.BSUtil $.Logger $.SimpleUnitCell".split(" "),function(){var b=P(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.nVib=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;O(this,arguments)},J.adapter.smarter,"XtalSymmetry",null);ca(b,function(){this.bondsFound=new JU.SB;this.ptOffset=new JU.P3});K(b,function(){});d(b,"addRotatedTensor",function(a,c,f,e,L){null==this.ptTemp&&(this.ptTemp=new JU.P3,this.mTemp=new JU.M3);return a.addTensor(this.acr.getInterface("JU.Tensor").setFromEigenVectors(L.rotateAxes(f,
c.eigenVectors,this.ptTemp,this.mTemp),c.eigenValues,c.isIsotropic?"iso":c.type,c.id,c),null,e)},"J.adapter.smarter.Atom,JU.Tensor,~N,~B,J.adapter.smarter.XtalSymmetry.FileSymmetry");d(b,"applySymmetryBio",function(a,c,f){var e=a.get("biomts"),L=e.size();null==this.mident&&(this.mident=new JU.M4,this.mident.setIdentity());this.acr.lstNCS=null;this.setLatticeCells();var b=null!=this.latticeCells&&0!=this.latticeCells[0]?R(3,0):null;if(null!=b)for(var k=0;3>k;k++)b[k]=this.latticeCells[k];this.latticeCells=
null;var b=this.acr.getFilterWithCase("BMCHAINS"),h=null==b?-1:2>b.length?0:JU.PT.parseInt(b.substring(1));-2147483648==h&&(h=-b.charAt(1).charCodeAt(0));var j=0<=f.indexOf("BYCHAIN")?1:0<=f.indexOf("BYSYMOP")?2:0;this.doNormalize=!1;var d=a.get("chains");(this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry).setSpaceGroup(this.doNormalize);this.addSpaceGroupOperation("x,y,z",!1);b=a.get("name");this.setAtomSetSpaceGroupName(this.acr.sgName=b);this.applySymmetryToBonds=c;this.bondCount0=
this.asc.bondCount;this.firstAtom=this.asc.getLastAtomSetAtomIndex();var b=this.asc.ac,n=new java.util.Hashtable,q=0,p=this.asc.atoms;c=this.bondCount0>this.asc.bondIndex0&&c;switch(j){case 1:for(k=b;--k>=this.firstAtom;){var v=Integer.$valueOf(p[k].chainID),r=n.get(v);null==r&&(q++,n.put(v,r=new JU.BS));r.set(k)}this.asc.bsAtoms=new JU.BS;for(k=0;k<q;k++)this.asc.bsAtoms.set(b+k),c=new J.adapter.smarter.Atom,c.set(0,0,0),c.radius=16,this.asc.addAtom(c);for(var s=0,m,n=n.entrySet().iterator();n.hasNext()&&
((m=n.next())||1);){c=p[b+s++];r=m.getValue();for(k=r.nextSetBit(0);0<=k;k=r.nextSetBit(k+1))c.add(p[k]);c.scale(1/r.cardinality());c.atomName="Pt"+s;c.chainID=m.getKey().intValue()}this.firstAtom=b;b+=q;c=!1;break;case 2:this.asc.bsAtoms=new JU.BS;this.asc.bsAtoms.set(b);c=p[b]=new J.adapter.smarter.Atom;c.set(0,0,0);for(k=b;--k>=this.firstAtom;)c.add(p[k]);c.scale(1/(b-this.firstAtom));c.atomName="Pt";c.radius=16;this.asc.addAtom(c);this.firstAtom=b++;c=!1}q=a.get("asemblyIdAtoms");0<=f.indexOf("#<")&&
(L=Math.min(L,JU.PT.parseInt(f.substring(f.indexOf("#<")+2))-1),f=JU.PT.rep(f,"#<","_<"));k=0;for(n=this.firstAtom;n<b;n++)p[n].bsSymmetry=new JU.BS,a=p[n].chainID,a>k&&(k=a);a=this.asc.bsAtoms;r=c?R(this.asc.ac,0):null;for(s=null==d?1:0;s<L;s++){if(0<=f.indexOf("!#")){if(0<=f.indexOf("!#"+(s+1)+";"))continue}else if(0<=f.indexOf("#")&&0>f.indexOf("#"+(s+1)+";"))continue;var u=e.get(s),t=!u.equals(this.mident),ga=null==d?null:d.get(s);if(null!=ga&&null!=q){a=new JU.BS;for(n=q.entrySet().iterator();n.hasNext()&&
((m=n.next())||1);)0<=ga.indexOf(":"+m.getKey()+";")&&a.or(m.getValue());null!=this.asc.bsAtoms&&a.and(this.asc.bsAtoms);ga=null}for(var S=-1,B=!1,n=this.firstAtom;n<b;n++){if(null!=a)B=!a.get(n);else if(null!=ga&&(v=p[n].chainID)!=S)B=0>ga.indexOf(":"+this.acr.vwr.getChainIDStr(S=v)+";");if(!B)try{var z=p[n].atomSite,E;c&&(r[z]=this.asc.ac);E=this.asc.newCloneAtom(p[n]);E.bondingRadius=s;this.asc.atomSymbolicMap.put(""+E.atomSerial,E);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(E.index);E.atomSite=
z;t&&u.rotTrans(E);E.bsSymmetry=JU.BSUtil.newAndSetBit(s)}catch(y){if(I(y,Exception))this.asc.errorMessage="appendAtomCollection error: "+y;else throw y;}}t&&this.symmetry.addBioMoleculeOperation(u,!1);if(c)for(u=this.asc.bondIndex0;u<this.bondCount0;u++)n=this.asc.bonds[u],this.asc.addNewBondWithOrder(r[p[n.atomIndex1].atomSite],r[p[n.atomIndex2].atomSite],n.order)}if(null!=d){null==this.asc.bsAtoms&&(this.asc.bsAtoms=JU.BSUtil.newBitSet2(0,this.asc.ac));this.asc.bsAtoms.clearBits(this.firstAtom,
b);if(0==j){if(-1!=h){v=(e=0!=h)?new JU.BS:null;p=this.asc.atoms;z=0;e&&(z=0>h?Math.max(-h,k+1):Math.max(k+h,65),v.setBits(0,z-1),v.setBits(91,97),v.setBits(123,200));j=1==this.asc.structureCount?this.asc.structures[0].bsAll:null;d=new java.util.Hashtable;E=new java.util.Hashtable;n=null==j?null:new java.util.Hashtable;q=null;k=b;for(r=this.asc.ac;k<r;k++)s=p[k].chainID,t=p[k].bsSymmetry.nextSetBit(0),h=this.acr.vwr.getChainIDStr(s),u=0==t?h:h+t,f=d.get(u),null==f&&(e&&0!=t&&(t=200>z?v.nextClearBit(z):
200,200>t&&(v.set(t),f=Integer.$valueOf(this.acr.vwr.getChainID(""+String.fromCharCode(t),!0)),z=t)),null==f&&(f=Integer.$valueOf(this.acr.vwr.getChainID(u,!0))),u!==h&&(E.put(f,Integer.$valueOf(s)),null!=j&&(null!=q&&(q[1]=k),n.put(f,q=R(-1,[k,r])))),d.put(u,f)),p[k].chainID=f.intValue();if(0<this.asc.structureCount){p=this.asc.structures;e=this.asc.structureCount;for(n=E.entrySet().iterator();n.hasNext()&&((m=n.next())||1);){f=m.getKey();f=f.intValue();h=m.getValue().intValue();for(k=0;k<e;k++)v=
p[k],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)))}}}m=this.asc.getAtomSetAuxiliaryInfoValue(-1,"PDB_CONECT_bonds");if(!c&&null!=m)for(k=m.size();0<=--k;)if(n=m.get(k),c=this.asc.getAtomFromName(""+n[0]),p=this.asc.getAtomFromName(""+n[1]),null!=c&&null!=p&&c.bondingRadius!=
p.bondingRadius&&(null==a||a.get(c.index)&&a.get(p.index))&&25<c.distanceSquared(p))m.removeItemAt(k),System.out.println("long interchain bond removed for @"+c.atomSerial+"-@"+p.atomSerial)}k=b;for(r=this.asc.ac;k<r;k++)this.asc.atoms[k].bondingRadius=NaN}this.noSymmetryCount=b-this.firstAtom;this.finalizeSymmetry(this.symmetry);this.setCurrentModelInfo(L,null,null);this.reset()},"java.util.Map,~B,~S");d(b,"getBaseSymmetry",function(){return null==this.baseSymmetry?this.symmetry:this.baseSymmetry});
d(b,"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)});d(b,"getSymmetry",function(){return null==this.symmetry?this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry:this.symmetry});d(b,"isWithinCell",function(a,c,f,e,L,b,k,h,j){return c.x>f-j&&c.x<e+j&&(2>a||c.y>L-j&&c.y<b+j)&&(3>a||c.z>k-j&&c.z<h+j)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");d(b,"scaleFractionalVibs",
function(){for(var a=this.acr.unitCellParams,a=JU.P3.new3(1/a[0],1/a[1],1/a[2]),c=this.asc.getAtomSetAtomIndex(this.asc.iSet),f=this.asc.ac;--f>=c;){var e=this.asc.atoms[f].vib;null!=e&&e.scaleT(a)}});d(b,"set",function(a){this.acr=a;this.asc=a.asc;this.getSymmetry();return this},"J.adapter.smarter.AtomSetCollectionReader");d(b,"setLatticeParameter",function(a){this.symmetry.setSpaceGroup(this.doNormalize);this.symmetry.setLattice(a)},"~N");d(b,"setSpinVectors",function(){if(0<this.nVib||0>this.asc.iSet||
!this.acr.vibsFractional)return this.nVib;for(var a=this.asc.getAtomSetAtomIndex(this.asc.iSet),c=this.getBaseSymmetry(),f=this.asc.ac;--f>=a;){var e=this.asc.atoms[f].vib;null!=e&&(0<e.modDim?e.setMoment():(e=e.clone(),c.toCartesian(e,!0),this.asc.atoms[f].vib=e),this.nVib++)}return this.nVib});d(b,"addSpaceGroupOperation",function(a,c){this.symmetry.setSpaceGroup(this.doNormalize);c&&1==this.symmetry.getSpaceGroupOperationCount()&&this.setLatticeCells();return this.symmetry.addSpaceGroupOperation(a,
0)},"~S,~B");d(b,"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 c=!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);c=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);c?(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 c=this.asc.atoms,f=this.asc.getLastAtomSetAtomIndex(),e=this.asc.ac;f<e;f++)a.toCartesian(c[f],!0);this.asc.setCoordinatesAreFractional(!1);this.acr.addVibrations=!1}return this.symmetry},"J.adapter.smarter.XtalSymmetry.FileSymmetry");d(b,"setSymmetry",function(a){return this.symmetry=a},"J.adapter.smarter.XtalSymmetry.FileSymmetry");d(b,"setTensors",function(){for(var a=this.asc.ac,c=this.asc.getLastAtomSetAtomIndex();c<
a;c++){var f=this.asc.atoms[c];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)}});d(b,"adjustRangeMinMax",function(a){var c=new JU.P3,f=new JU.P3,e=new JU.P3;this.acr.forcePacked&&(c.setT(a[1]),f.setT(a[2]),e.setT(a[3]),c.scale(this.packingRange),f.scale(this.packingRange),e.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(c);a[0].sub(f);a[0].sub(e);var L=JU.P3.newP(a[0]);this.symmetry.toFractional(L,!0);this.setSymmetryMinMax(L);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,c,a[1]);a[2].scaleAdd2(2,f,a[2]);a[3].scaleAdd2(2,e,a[3]);for(c=0;3>c;c++)for(f=c+1;4>f;f++)L.add2(a[c],a[f]),0!=c&&L.add(a[0]),this.symmetry.toFractional(L,!1),this.setSymmetryMinMax(L);this.symmetry.toCartesian(L,!1);L.add(a[1]);this.symmetry.toFractional(L,
!1);this.setSymmetryMinMax(L);this.minXYZ=JU.P3i.new3(A(Math.min(0,Math.floor(this.rminx+0.001))),A(Math.min(0,Math.floor(this.rminy+0.001))),A(Math.min(0,Math.floor(this.rminz+0.001))));this.maxXYZ=JU.P3i.new3(A(Math.max(1,Math.ceil(this.rmaxx-0.001))),A(Math.max(1,Math.ceil(this.rmaxy-0.001))),A(Math.max(1,Math.ceil(this.rmaxz-0.001))))},"~A");d(b,"applyAllSymmetry",function(a,c){if(!(0==this.asc.ac||null!=c&&c.isEmpty())){var f=this.noSymmetryCount=0<this.asc.baseSymmetryAtomCount?this.asc.baseSymmetryAtomCount:
null==c?this.asc.getLastAtomSetAtomCount():this.asc.ac-c.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 e=this.symmetry.getSpaceGroupOperationCount(),L=null==this.acr.thisBiomolecule?null:new JU.BS;
this.checkNearAtoms=this.acr.checkNearAtoms||null!=L;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",R(-1,[this.minXYZ.x,this.minXYZ.y,this.minXYZ.z,this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z,this.centroidPacked?y(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(y(this.minXYZ0.x),y(this.minXYZ0.y),y(this.minXYZ0.z)),this.maxXYZ.set(y(this.maxXYZ0.x),y(this.maxXYZ0.y),y(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 b=(this.maxXYZ.x-this.minXYZ.x)*(this.maxXYZ.y-this.minXYZ.y)*(this.maxXYZ.z-this.minXYZ.z),k=f*(this.crystalReaderLatticeOpsOnly?4:e),k=this.checkNearAtoms||null!=this.acr.thisBiomolecule?k*b:0<this.symmetryRange?k:1,h=Array(k),j=this.asc.atoms,d=0;d<f;d++)j[this.firstAtom+d].bsSymmetry=JU.BS.newN(e*(b+1));var n=0;this.unitCellTranslations=Array(b);var q=0,p=0,v=Math.abs(this.symmetryRange),r=0!=this.symmetryRange,
s=0>this.symmetryRange,m=0<this.symmetryRange;r&&(this.rminx=this.rminy=this.rminz=3.4028235E38,this.rmaxx=this.rmaxy=this.rmaxz=-3.4028235E38);var u=this.symmetry,t=u;this.checkAll=this.crystalReaderLatticeOpsOnly||1==this.asc.atomSetCount&&this.checkNearAtoms&&0<=this.latticeOp;var ga=this.acr.lstNCS;if(null!=ga&&0==ga.get(0).m33){for(var S=u.getSpaceGroupOperationCount(),B=ga.size(),d=B;0<=--d;){var z=ga.get(d);z.m33=1;u.toFractionalM(z)}for(d=1;d<S;d++)for(var E=u.getSpaceGroupOperation(d),A=
0;A<B;A++)z=JU.M4.newM4(ga.get(A)),z.mul2(E,z),this.doNormalize&&0<this.noSymmetryCount&&JS.SymmetryOperation.normalizeOperationToCentroid(3,z,j,this.firstAtom,this.noSymmetryCount),ga.addLast(z)}d=null;ga=u.getSpaceGroupOperation(0);this.doPackUnitCell&&(d=new JU.P3,this.ptOffset.set(0,0,0));S=this.bondCount0>this.asc.bondIndex0&&this.applySymmetryToBonds?R(f,0):null;b=R(b,0);for(B=this.minXYZ.x;B<this.maxXYZ.x;B++)for(z=this.minXYZ.y;z<this.maxXYZ.y;z++)for(E=this.minXYZ.z;E<this.maxXYZ.z;E++)if(this.unitCellTranslations[q]=
JU.V3.new3(B,z,E),b[q++]=555+100*B+10*z+E,!(0!=B||0!=z||0!=E||0==h.length)){for(n=0;n<f;n++){p=j[this.firstAtom+n];null!=a&&(u=a.getAtomSymmetry(p,this.symmetry),u!==t&&(0==u.getSpaceGroupOperationCount()&&this.finalizeSymmetry(t=u),ga=u.getSpaceGroupOperation(0)));A=JU.P3.newP(p);ga.rotTrans(A);u.toCartesian(A,!1);if(this.doPackUnitCell)if(u.toUnitCellRnd(A,this.ptOffset),d.setT(A),u.toFractional(d,!1),this.acr.fixFloatPt(d,1E5),null==c)p.setT(d);else if(1E-4>p.distance(d))c.set(p.index);else{c.clear(p.index);
continue}null!=c&&p.bsSymmetry.clearAll();p.bsSymmetry.set(q*e);p.bsSymmetry.set(0);r&&this.setSymmetryMinMax(A);n<k&&(h[n]=A)}s&&(this.rminx-=v,this.rminy-=v,this.rminz-=v,this.rmaxx+=v,this.rmaxy+=v,this.rmaxz+=v);p=n=this.symmetryAddAtoms(0,0,0,0,n,q*e,h,a,L,S)}m&&(this.rminx-=v,this.rminy-=v,this.rminz-=v,this.rmaxx+=v,this.rmaxy+=v,this.rmaxz+=v);q=0;for(B=this.minXYZ.x;B<this.maxXYZ.x;B++)for(z=this.minXYZ.y;z<this.maxXYZ.y;z++)for(E=this.minXYZ.z;E<this.maxXYZ.z;E++)if(q++,0!=B||0!=z||0!=E)n=
this.symmetryAddAtoms(B,z,E,p,n,q*e,h,a,L,S);q*f==this.asc.ac-this.firstAtom&&this.duplicateAtomProperties(q);this.setCurrentModelInfo(f,u,b);this.unitCellParams=null;this.reset()}},"J.adapter.smarter.MSInterface,JU.BS");d(b,"applyRangeSymmetry",function(a){var c=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),e=JU.P3i.new3(this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z),L=Array(4),b=0;4>b;b++)L[b]=
JU.P3.newP(c[b]);this.setUnitCellSafely();this.adjustRangeMinMax(L);c=new J.adapter.smarter.XtalSymmetry.FileSymmetry;c.getUnitCell(this.acr.fillRange,!1,null);this.applyAllSymmetry(this.acr.ms,a);for(var L=new JU.P3,k=this.asc.atoms,b=this.asc.ac;--b>=this.firstAtom;)L.setT(k[b]),this.symmetry.toCartesian(L,!1),c.toFractional(L,!1),(this.acr.noPack?!this.removePacking(this.ndims,L,f.x,e.x,f.y,e.y,f.z,e.z,this.packingRange):!this.isWithinCell(this.ndims,L,f.x,e.x,f.y,e.y,f.z,e.z,this.packingRange))&&
a.clear(b)},"JU.BS");d(b,"applySuperSymmetry",function(a,c,f,e,L,b,k){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,j=this.asc.ac,d=f;d<j;d++)this.symmetry.toCartesian(h[d],!0),c.set(d);this.asc.setCurrentModelInfo("unitcell_conventional",this.symmetry.getV0abc("a,b,c",null));c=b[0];d=b[1];b=b[2];this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry;this.setUnitCell(H(-1,[0,
0,0,0,0,0,c.x,c.y,c.z,d.x,d.y,d.z,b.x,b.y,b.z,0,0,0,0,0,0,NaN,NaN,NaN,NaN,NaN,k]),null,null);a=null==e||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!=L&&0==L.length()&&(L=null);null!=L&&this.symmetry.toFractional(L,!0);for(d=f;d<j;d++)this.symmetry.toFractional(h[d],!0),null!=L&&h[d].sub(L);this.asc.haveAnisou=!1;this.asc.setCurrentModelInfo("matUnitCellOrientation",
null)},"~S,JU.BS,~N,~A,JU.P3,~A,~N");d(b,"applySymmetryLattice",function(){if(this.asc.coordinatesAreFractional&&null!=this.symmetry.getSpaceGroup()){var a=this.latticeCells[0],c=this.latticeCells[1],f=Math.abs(this.latticeCells[2]),e=this.latticeCells[3];this.firstAtom=this.asc.getLastAtomSetAtomIndex();var L=this.asc.bsAtoms;null!=L&&(this.updateBSAtoms(),this.firstAtom=L.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 b=this.symmetry.getSpaceGroupTitle();
0>b.indexOf("--")&&this.asc.setCurrentModelInfo("f2cTitle",b);this.asc.setCurrentModelInfo("f2cParams",this.symmetry.getUnitCellParams());null!=this.acr.latticeType&&(this.asc.setCurrentModelInfo("latticeType",this.acr.latticeType),"string"==typeof this.acr.fillRange&&(b=this.setLatticeRange(this.acr.latticeType,this.acr.fillRange),null==b?(this.acr.appendLoadNote(this.acr.fillRange+" symmetry could not be implemented"),this.acr.fillRange=null):this.acr.fillRange=b));this.baseSymmetry=this.symmetry;
if(null!=this.acr.fillRange)this.setMinMax(this.ndims,e,a,c,f),this.applyRangeSymmetry(L);else{var b=null,k=1E-6;this.nVib=0;var h=this.acr.strSupercell,j=null!=h&&0<=h.indexOf(","),d=null,n=null,q=Array(3);j&&(d=new JU.M4,null==this.mident&&(this.mident=new JU.M4),this.setUnitCellSafely(),b=this.symmetry.getV0abc(h,d),d.transpose33(),null!=b&&!d.equals(this.mident)&&(this.setMinMax(this.ndims,e,a,c,f),n=JU.P3.newP(b[0]),q[0]=JU.V3.newV(b[1]),q[1]=JU.V3.newV(b[2]),q[2]=JU.V3.newV(b[3]),this.adjustRangeMinMax(b)));
j=this.asc.getLastAtomSetAtomIndex();null!=L&&(j=L.nextSetBit(j));3.4028235E38==this.rminx?b=null:(L=this.updateBSAtoms(),k=this.symmetry.getPrecision(),this.applySuperSymmetry(h,L,j,b,n,q,k));this.setMinMax(this.ndims,e,a,c,f);if(null==b){this.applyAllSymmetry(this.acr.ms,L);if(!this.acr.noPack&&(!this.applySymmetryToBonds||!this.acr.doPackUnitCell))return;this.setMinMax(this.ndims,e,a,c,f)}(this.acr.forcePacked||this.acr.doPackUnitCell||this.acr.noPack)&&this.trimToUnitCell(j);this.updateSupercellAtomSites(d,
L,k)}}});d(b,"duplicateAtomProperties",function(a){var c=this.asc.getAtomSetAuxiliaryInfoValue(-1,"atomProperties");if(null!=c)for(var f,e=c.entrySet().iterator();e.hasNext()&&((f=e.next())||1);){var b=f.getKey(),g=f.getValue();if("string"==typeof g){for(var k=g,h=new JU.SB,g=a;0<=--g;)h.append(k);c.put(b,h.toString())}else{b=g;k=H(b.length*a,0);for(g=a;0<=--g;)System.arraycopy(b,0,k,g*b.length,b.length)}}},"~N");d(b,"finalizeSymmetry",function(a){var c=this.asc.getAtomSetAuxiliaryInfoValue(-1,"spaceGroup");
a.setFinalOperations(this.ndims,c,this.asc.atoms,this.firstAtom,this.noSymmetryCount,this.doNormalize,this.filterSymop);(null!=this.filterSymop||null==c||c.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");
d(b,"removePacking",function(a,c,f,e,b,g,k,h,j){return c.x>f-j&&c.x<e-j&&(2>a||c.y>b-j&&c.y<g-j)&&(3>a||c.z>k-j&&c.z<h-j)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");d(b,"reset",function(){this.asc.coordinatesAreFractional=!1;this.asc.setCurrentModelInfo("hasSymmetry",Boolean.TRUE);this.asc.setGlobalBoolean(1)});d(b,"setAtomSetSpaceGroupName",function(a){this.symmetry.setSpaceGroupName(a);a+="";this.asc.setCurrentModelInfo("f2cTitle",a);this.asc.setCurrentModelInfo("spaceGroup",a)},"~S");d(b,"setCurrentModelInfo",
function(a,c,f){null==c?(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.$valueOf(a)),this.asc.setCurrentModelInfo("latticeDesignation",c.getLatticeDesignation()),this.asc.setCurrentModelInfo("ML_unitCellRange",f),this.acr.isSUPERCELL&&this.asc.setCurrentModelInfo("supercell",
this.acr.strSupercell));this.asc.setCurrentModelInfo("presymmetryAtomIndex",Integer.$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.$valueOf(a));this.asc.setCurrentModelInfo("latticeType",null==this.acr.latticeType?"P":this.acr.latticeType);
this.asc.setCurrentModelInfo("intlTableNo",this.symmetry.getIntTableNumber());this.asc.setCurrentModelInfo("intlTableIndex",this.symmetry.getSpaceGroupInfoObj("itaIndex",null,!1,!1));this.asc.setCurrentModelInfo("intlTableTransform",this.symmetry.getSpaceGroupInfoObj("itaTransform",null,!1,!1));this.asc.setCurrentModelInfo("intlTableJmolID",this.symmetry.getIntTableNumberFull());this.asc.setCurrentModelInfo("spaceGroupIndex",Integer.$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");d(b,"setCurrentModelUCInfo",function(a,c,f){null!=a&&this.asc.setCurrentModelInfo("unitCellParams",a);null!=c&&this.asc.setCurrentModelInfo("unitCellOffset",c);null!=f&&this.asc.setCurrentModelInfo("matUnitCellOrientation",f)},"~A,JU.P3,JU.M3");
d(b,"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});d(b,"setLatticeRange",function(a,c){var f=null,e="R".equals(a);c.equals("conventional")?f=this.symmetry.getConventionalUnitCell(a,this.acr.primitiveToCrystal):c.equals("primitive")?(f=this.symmetry.getUnitCellVectors(),this.symmetry.toFromPrimitive(!0,a.charAt(0),f,this.acr.primitiveToCrystal)):e&&c.equals("rhombohedral")?c=1==this.symmetry.getUnitCellInfoType(7)?"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":null:e&&c.equals("trigonal")?c=1==this.symmetry.getUnitCellInfoType(8)?
"a-b,b-c,a+b+c":null:(0>c.indexOf(",")||0>c.indexOf("a")||0>c.indexOf("b")||c.indexOf("c"),c=null);if(null!=c&&null==f&&null==(f=this.symmetry.getV0abc(c,null)))c=null;if(null==c)return null;this.acr.addJmolScript("unitcell "+JU.PT.esc(c));return f},"~S,~S");d(b,"setMinMax",function(a,c,f,e,b){this.minXYZ=new JU.P3i;this.maxXYZ=JU.P3i.new3(f,e,b);JU.SimpleUnitCell.setMinMaxLatticeParameters(a,this.minXYZ,this.maxXYZ,c)},"~N,~N,~N,~N,~N");d(b,"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");d(b,"setUnitCell",function(a,c,f){this.unitCellParams=H(a.length,0);for(var e=0;e<a.length;e++)this.unitCellParams[e]=a[e];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!=c&&this.symmetry.initializeOrientation(c);this.setCurrentModelUCInfo(this.unitCellParams,f,c)},"~A,JU.M3,JU.P3");d(b,"setUnitCellSafely",function(){null==this.unitCellParams&&this.setUnitCell(this.acr.unitCellParams,this.acr.matUnitCellOrientation,this.acr.unitCellOffset)});d(b,"symmetryAddAtoms",function(a,c,f,e,b,g,k,h,j,d){var n=0==e,
q=null!=d;this.doPackUnitCell&&this.ptOffset.set(a,c,f);var p=this.symmetryRange*this.symmetryRange,v=0>this.symmetryRange,r=0<this.symmetryRange,s=n&&r,r=(new Boolean(r&!n)).valueOf(),m=this.symmetry.getSpaceGroupOperationCount(),u=this.acr.lstNCS,t=null==u?0:u.size(),y=m+t,t=A(t/m),S=this.checkNearAtoms&&(1<y||this.doPackUnitCell),B=v||r,z=S||B,E=null!=j,H=S||s,w=this.acr.isMolecular?null:this.asc.bsAtoms,D=this.symmetry;v&&(e=this.noSymmetryCount);var v=this.firstAtom+this.noSymmetryCount,C=0>
this.asc.firstAtomToBond?v:this.asc.firstAtomToBond,F=new JU.P3,U=null,wa=E?0.01:1E-4,ra="\x00",X=null==w?this.firstAtom:w.nextSetBit(this.firstAtom),T=0;a:for(;T<y;T++)if(!(n&&0==T||this.crystalReaderLatticeOpsOnly&&0<T&&0!=T%this.latticeOp||null!=j&&j.get(T))){for(var R=this.firstAtom+(S?b:r?e:0),O=T>=m?0:0==this.asc.vibScale?D.getSpinOp(T):this.asc.vibScale,P=Math.max(this.firstAtom,null==w?0:w.nextSetBit(0)),Q=z,K=T>=m?A((T-m)/t):T,I=K+g;P<v;P++){var W=this.asc.atoms[P];if(null==w||w.get(P)){null==
h?D.newSpaceGroupPoint(W,T,T>=m?u.get(T-m):null,a,c,f,F):(D=h.getAtomSymmetry(W,this.symmetry),D.newSpaceGroupPoint(W,T,null,a,c,f,F),U=D.getSpaceGroupOperationCode(T),null!=U&&(ra=U.charAt(0),D=h.getSymmetryFromCode(U),0==D.getSpaceGroupOperationCount()&&this.finalizeSymmetry(D)));this.acr.fixFloatPt(F,1E5);var aa=JU.P3.newP(F);D.toCartesian(aa,!1);if(this.doPackUnitCell&&(D.toUnitCellRnd(aa,this.ptOffset),F.setT(aa),D.toFractional(F,!1),this.acr.fixFloatPt(F,1E5),!this.isWithinCell(this.ndims,F,
this.minXYZ0.x,this.maxXYZ0.x,this.minXYZ0.y,this.maxXYZ0.y,this.minXYZ0.z,this.maxXYZ0.z,this.packingRange)))continue;s&&this.setSymmetryMinMax(aa);var M=null;if(Q){if(B&&(aa.x<this.rminx||aa.y<this.rminy||aa.z<this.rminz||aa.x>this.rmaxx||aa.y>this.rmaxy||aa.z>this.rmaxz))continue;for(var N=3.4028235E38,da=this.checkAll?this.asc.ac:R,V=W.atomName,Y=null==U?W.altLoc:ra,Z=X;Z<da;Z++)if(null==w||w.get(Z)){var ea=k[Z-this.firstAtom];if(null!=ea){ea=aa.distanceSquared(ea);if(S&&ea<wa){if(E){j.set(T);
continue a}M=this.asc.atoms[Z];if((null==M.atomName||M.atomName.equals(V))&&M.altLoc==Y)break;M=null}r&&(Z<e&&ea<N)&&(N=ea)}}if(r&&N>p)continue}E&&(Q=!1);Z=W.atomSite;if(null!=M)q&&(d[Z]=M.index),M.bsSymmetry.set(I),M.bsSymmetry.set(K);else{q&&(d[Z]=this.asc.ac);M=W.copyTo(F,this.asc);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(M.index);0!=O&&null!=M.vib&&(D.getSpaceGroupOperation(T).rotate(M.vib),M.vib.scale(O));if(0>M.part){var $=Integer.$valueOf(1E3*T+500+M.part);null==this.disorderMap&&(this.disorderMap=
new java.util.Hashtable);N=this.disorderMap.get($);null==N&&(da=Integer.$valueOf(M.part),V=null==this.disorderMap.get(da),0==this.disorderMapMax||122==this.disorderMapMax?this.disorderMapMax=64:90==this.disorderMapMax&&(this.disorderMapMax=96),N=new Character(V?M.altLoc:String.fromCharCode(++this.disorderMapMax)),this.disorderMap.put($,N),V&&this.disorderMap.put(da,N));M.altLoc=N.charValue()}M.atomSite=Z;null!=U&&(M.altLoc=ra);M.bsSymmetry=JU.BSUtil.newAndSetBit(I);M.bsSymmetry.set(K);H&&(k[b++]=
aa);W=W.tensors;if(null!=W){M.tensors=null;for(Z=W.size();0<=--Z;)aa=W.get(Z),null!=aa&&(1==m?M.addTensor(aa.copyTensor(),null,!1):this.addRotatedTensor(M,aa,T,!1,D))}}}}if(q){R=this.asc.bonds;O=this.asc.atoms;for(Q=this.asc.bondIndex0;Q<this.bondCount0;Q++)if(K=R[Q],M=O[K.atomIndex1],P=O[K.atomIndex2],!(null==M||null==P||P.atomSetIndex<M.atomSetIndex))if(I=d[M.atomSite],W=d[P.atomSite],I>W&&(P=I,I=W,W=P),I!=W&&(I>=C||W>=C)&&0>this.bondsFound.indexOf($="-"+I+","+W))this.bondsFound.append($),this.asc.addNewBondWithOrder(I,
W,K.order)}}return b},"~N,~N,~N,~N,~N,~N,~A,J.adapter.smarter.MSInterface,JU.BS,~A");d(b,"setPartProperty",function(){for(var a=this.asc.atomSetCount;0<=--a;){for(var c=H(this.asc.getAtomSetAtomCount(a),0),f=0,e=this.asc.getAtomSetAtomIndex(a),b=c.length;f<b;f++){var g=this.asc.atoms[e++];c[f]=g.part}this.asc.setAtomProperties("part",c,a,!1)}});d(b,"trimToUnitCell",function(a){var c=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,
c[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,c[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");d(b,"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});d(b,"updateSupercellAtomSites",function(a,c,f){for(var e=c.cardinality(),e=Array(e),b=0,g=f*f,k=c.nextSetBit(0);0<=k;k=c.nextSetBit(k+1)){var h=this.asc.atoms[k],j=new J.adapter.smarter.Atom;j.setT(h);null!=a&&(a.rotTrans(j),JU.SimpleUnitCell.unitizeDimRnd(3,j,f));j.atomSerial=h.atomSite;j.atomSite=h.atomSite;this.symmetry.unitize(j);for(var d=!1,n=0;n<b;n++){var q=e[n];if(j.atomSerial==q.atomSerial&&j.distanceSquared(q)<g){d=!0;h.atomSite=q.atomSite;break}}d||(h.atomSite=
j.atomSite=b,e[b++]=j)}},"JU.M4,JU.BS,~N");d(b,"newFileSymmetry",function(){return new J.adapter.smarter.XtalSymmetry.FileSymmetry});b=pa(J.adapter.smarter.XtalSymmetry,"FileSymmetry",JS.Symmetry);K(b,function(){la(this,J.adapter.smarter.XtalSymmetry.FileSymmetry,[])});d(b,"addLatticeVectors",function(a){return this.spaceGroup.addLatticeVectors(a)},"JU.Lst");d(b,"addSubSystemOp",function(a,c,f,e){this.spaceGroup.isSSG=!0;c=JS.SymmetryOperation.getXYZFromRsVs(c,f,!1);f=this.spaceGroup.addSymmetry(c,
-1,!0);this.spaceGroup.matrixOperations[f].setSigma(a,e);return c},"~S,JU.Matrix,JU.Matrix,JU.Matrix");d(b,"checkDistance",function(a,c,f,e,b,g,k,h){return this.unitCell.checkDistance(a,c,f,e,b,g,k,h)},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");d(b,"createSpaceGroup",function(a,c,f,e){this.spaceGroup=JS.SpaceGroup.createSpaceGroup(a,c,f,e);null!=this.spaceGroup&&JU.Logger.debugging&&JU.Logger.debug("using generated space group "+this.spaceGroup.dumpInfo());return null!=this.spaceGroup},"~N,~S,~O,~N");d(b,
"fcoord",function(a){return JS.SymmetryOperation.fcoord(a," ")},"JU.T3");d(b,"getMatrixFromString",function(a,c){JS.SymmetryOperation.getMatrixFromString(null,a,c,!1,!0,!1)},"~S,~A");d(b,"getSpaceGroupOperationCode",function(a){return this.spaceGroup.matrixOperations[a].subsystemCode},"~N");d(b,"getTensor",function(a,c){if(null==c)return null;null==this.unitCell&&(this.unitCell=JS.UnitCell.fromParams(H(-1,[1,1,1,90,90,90]),!0,1E-4));return this.unitCell.getTensor(a,c)},"JV.Viewer,~A");d(b,"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:""});d(b,"setPrecision",function(a){this.unitCell.setPrecision(a)},"~N");d(b,"toFractionalM",function(a){this.$isBio||this.unitCell.toFractionalM(a)},"JU.M4");d(b,"toUnitCellRnd",function(a,c){this.unitCell.toUnitCellRnd(a,c)},"JU.T3,JU.T3");d(b,"twelfthify",function(a){this.unitCell.twelfthify(a)},"JU.P3");
d(b,"getConventionalUnitCell",function(a,c){return null==this.unitCell||null==a?null:this.unitCell.getConventionalUnitCell(a,c)},"~S,JU.M3");d(b,"getSpaceGroupIndex",function(){return this.spaceGroup.getIndex()});d(b,"getUnitCellF2C",function(){return this.unitCell.getF2C()});d(b,"addInversion",function(){var a=this.spaceGroup.matrixOperations,c=new JU.M4;c.m00=c.m11=c.m22=-1;c.m33=1;for(var f=this.getSpaceGroupOperationCount(),e=new JU.M4,b=0;b<f;b++){e.mul2(c,a[b]);var g=JS.SymmetryOperation.getXYZFromMatrix(e,
!0,!0,!1);this.addSpaceGroupOperation(g,0)}})});Y("JS");ba(["J.api.SymmetryInterface"],"JS.Symmetry","java.util.Hashtable JU.BS $.JSJSONParser $.Lst $.M4 $.P3 $.PT $.Rdr $.SB J.api.Interface J.bspt.Bspt JS.PointGroup $.SpaceGroup $.SymmetryInfo $.SymmetryOperation $.UnitCell JU.Escape $.Logger $.SimpleUnitCell JV.FileManager".split(" "),function(){var b=P(function(){this.unitCell=this.spaceGroup=null;this.$isBio=!1;this.vwr=this.transformMatrix=this.desc=this.symmetryInfo=this.cip=this.pointGroup=
null;O(this,arguments)},JS,"Symmetry",null,J.api.SymmetryInterface);m(b,"getSymopList",function(a){for(var c=this.spaceGroup.operationCount,f=Array(c),e=0;e<c;e++)f[e]=""+this.getSpaceGroupXyz(e,a);return f},"~B");m(b,"isBio",function(){return this.$isBio});m(b,"setPointGroup",function(a,c,f,e,b,g,k,h,j,d){this.pointGroup=JS.PointGroup.getPointGroup(null==c?null:c.pointGroup,f,e,b,g,k,h,j,d,a.getBoolean(603979956),a.getScalePixelsPerAngstrom(!1));return this},"JV.Viewer,J.api.SymmetryInterface,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B");
m(b,"getPointGroupName",function(){return this.pointGroup.getName()});m(b,"getPointGroupInfo",function(a,c,f,e,b,g){return null==c&&!f&&null!=this.pointGroup.textInfo?this.pointGroup.textInfo:null==c&&this.pointGroup.isDrawType(e,b,g)?this.pointGroup.drawInfo:f&&null!=this.pointGroup.info?this.pointGroup.info:this.pointGroup.getInfo(a,c,f,e,b,g)},"~N,~S,~B,~S,~N,~N");m(b,"setSpaceGroup",function(a){this.symmetryInfo=null;null==this.spaceGroup&&(this.spaceGroup=JS.SpaceGroup.getNull(!0,a,!1))},"~B");
m(b,"addSpaceGroupOperation",function(a,c){return this.spaceGroup.addSymmetry(a,c,!1)},"~S,~N");m(b,"addBioMoleculeOperation",function(a,c){this.$isBio=this.spaceGroup.isBio=!0;return this.spaceGroup.addSymmetry((c?"!":"")+"[[bio"+a,0,!1)},"JU.M4,~B");m(b,"setLattice",function(a){this.spaceGroup.setLatticeParam(a)},"~N");m(b,"getSpaceGroup",function(){return this.spaceGroup});m(b,"getSpaceGroupInfoObj",function(a,c,f,e){var b=!1;switch(a){case "list":return this.getSpaceGroupList(c);case "opsCtr":return this.spaceGroup.getOpsCtr(c);
case "itaTransform":case "itaNumber":b=!0;case "nameToXYZList":case "itaIndex":f=null;if(null!=c){if(c.endsWith("'"))return c=JS.SpaceGroup.convertWyckoffHMCleg(c,null),b&&null!=c?(f=c.indexOf(":"),"itaNumber".equals(a)?c.substring(0,f):c.substring(f+1)):null;f=JS.SpaceGroup.determineSpaceGroupN(c);null==f&&"nameToXYZList".equals(a)&&(f=JS.SpaceGroup.createSpaceGroupN(c,!0))}else null!=this.spaceGroup?f=this.spaceGroup:null!=this.symmetryInfo&&(f=this.symmetryInfo.getDerivedSpaceGroup());switch(null==
f?"":a){case "nameToXYZList":a=new JU.Lst;f.setFinalOperations();b=0;for(c=f.getOperationCount();b<c;b++)a.addLast(f.getOperation(b).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,c,f,e)}},"~S,~O,~B,~B");d(b,"getSpaceGroupList",function(a){var c=new JU.SB;a=this.getSpaceGroupJSON(a,"ITA","ALL",0);for(var f=0,e=a.size();f<e;f++){var b=a.get(f);c.appendO(b.get("sg")).appendC(".").appendO(b.get("set")).appendC("\t").appendO(b.get("hm")).appendC("\t").appendO(b.get("sg")).appendC(":").appendO(b.get("trm")).appendC("\n")}return c.toString()},
"JV.Viewer");m(b,"getLatticeDesignation",function(){return this.spaceGroup.getShelxLATTDesignation()});m(b,"setFinalOperations",function(a,c,f,e,b,g,k){null!=c&&(c.startsWith("bio")||0<=c.indexOf(" *("))&&this.spaceGroup.setName(c);var h="unspecified!".equals(c);h&&(k="calculated");if(null!=k){var j=new JU.Lst;j.addLast(this.spaceGroup.matrixOperations[0]);for(var d=1;d<this.spaceGroup.operationCount;d++)(h||k.contains(" "+(d+1)+" "))&&j.addLast(this.spaceGroup.matrixOperations[d]);this.spaceGroup=
JS.SpaceGroup.createSpaceGroup(-1,c+" *("+k.trim()+")",j,-1)}this.spaceGroup.setFinalOperationsForAtoms(a,f,e,b,g)},"~N,~S,~A,~N,~N,~B,~S");m(b,"getSpaceGroupOperation",function(a){return null==this.spaceGroup||null==this.spaceGroup.matrixOperations||a>=this.spaceGroup.matrixOperations.length?null:null==this.spaceGroup.finalOperations?this.spaceGroup.matrixOperations[a]:this.spaceGroup.finalOperations[a]},"~N");m(b,"getSpaceGroupXyz",function(a,c){return this.spaceGroup.getXyz(a,c)},"~N,~B");m(b,
"newSpaceGroupPoint",function(a,c,f,e,b,g,k){null==f&&null==this.spaceGroup.finalOperations&&(f=this.spaceGroup.matrixOperations[c],f.isFinalized||f.doFinalize());JS.SymmetryOperation.rotateAndTranslatePoint(null==f?this.spaceGroup.finalOperations[c]:f,a,e,b,g,k)},"JU.P3,~N,JU.M4,~N,~N,~N,JU.P3");m(b,"rotateAxes",function(a,c,f,e){return 0==a?c:this.spaceGroup.finalOperations[a].rotateAxes(c,this.unitCell,f,e)},"~N,~A,JU.P3,JU.M3");m(b,"getSpinOp",function(a){return this.spaceGroup.matrixOperations[a].getMagneticOp()},
"~N");m(b,"getLatticeOp",function(){return this.spaceGroup.latticeOp});m(b,"getLatticeCentering",function(){return JS.SymmetryOperation.getLatticeCentering(this.getSymmetryOperations())});m(b,"getOperationRsVs",function(a){return(null==this.spaceGroup.finalOperations?this.spaceGroup.matrixOperations:this.spaceGroup.finalOperations)[a].rsvs},"~N");m(b,"getSiteMultiplicity",function(a){return this.spaceGroup.getSiteMultiplicity(a,this.unitCell)},"JU.P3");m(b,"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:""});m(b,"getSpaceGroupNameType",function(a){return null==this.spaceGroup?null:this.spaceGroup.getNameType(a,this)},"~S");m(b,"getLatticeType",function(){return null!=this.symmetryInfo?this.symmetryInfo.latticeType:null==this.spaceGroup?"P":this.spaceGroup.latticeType});m(b,"getIntTableNumber",function(){return null!=this.symmetryInfo?
this.symmetryInfo.intlTableNo:null==this.spaceGroup?null:this.spaceGroup.itaNumber});m(b,"getIntTableIndex",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableIndex:null==this.spaceGroup?null:this.spaceGroup.getItaIndex()});m(b,"getIntTableTransform",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableTransform:null==this.spaceGroup?null:this.spaceGroup.itaTransform});m(b,"getIntTableNumberFull",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableJmolID:
null==this.spaceGroup?null:null!=this.spaceGroup.jmolId?this.spaceGroup.jmolId:this.spaceGroup.itaNumber});m(b,"getCoordinatesAreFractional",function(){return null==this.symmetryInfo||this.symmetryInfo.coordinatesAreFractional});m(b,"getCellRange",function(){return null==this.symmetryInfo?null:this.symmetryInfo.cellRange});m(b,"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});m(b,"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});m(b,"getSymmetryOperations",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.symmetryOperations;null==this.spaceGroup&&(this.spaceGroup=JS.SpaceGroup.getNull(!0,
!1,!0));this.spaceGroup.setFinalOperations();return this.spaceGroup.finalOperations});m(b,"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});m(b,"getAdditionalOperations",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.getAdditionalOperations();
this.getSymmetryOperations();return this.spaceGroup.getAdditionalOperations()});m(b,"isSimple",function(){return null==this.spaceGroup&&(null==this.symmetryInfo||null==this.symmetryInfo.symmetryOperations)});m(b,"haveUnitCell",function(){return null!=this.unitCell});m(b,"setUnitCellFromParams",function(a,c,f){null==a&&(a=H(-1,[1,1,1,90,90,90]));this.unitCell=JS.UnitCell.fromParams(a,c,f);return this},"~A,~B,~N");m(b,"unitCellEquals",function(a){return a.unitCell.isSameAs(this.unitCell.getF2C())},
"J.api.SymmetryInterface");m(b,"isSymmetryCell",function(a){a=a.unitCell;var c=!a.isStandard()?null:null!=this.symmetryInfo?this.symmetryInfo.spaceGroupF2C:this.unitCell.getF2C();a=a.isSameAs(c);null!=this.symmetryInfo&&this.symmetryInfo.setIsCurrentCell(a)&&this.setUnitCellFromParams(this.symmetryInfo.spaceGroupF2CParams,!1,NaN);return a},"J.api.SymmetryInterface");m(b,"getUnitCellState",function(){return null==this.unitCell?"":this.unitCell.getState()});m(b,"getMoreInfo",function(){return this.unitCell.moreInfo});
m(b,"initializeOrientation",function(a){this.unitCell.initOrientation(a)},"JU.M3");m(b,"unitize",function(a){this.unitCell.unitize(a)},"JU.T3");m(b,"toUnitCell",function(a,c){this.unitCell.toUnitCell(a,c)},"JU.T3,JU.T3");m(b,"toSupercell",function(a){return this.unitCell.toSupercell(a)},"JU.P3");m(b,"toFractional",function(a,c){this.$isBio||this.unitCell.toFractional(a,c)},"JU.T3,~B");m(b,"toCartesian",function(a,c){this.$isBio||this.unitCell.toCartesian(a,c)},"JU.T3,~B");m(b,"getUnitCellParams",
function(){return this.unitCell.getUnitCellParams()});m(b,"getUnitCellAsArray",function(a){return this.unitCell.getUnitCellAsArray(a)},"~B");m(b,"getUnitCellVerticesNoOffset",function(){return this.unitCell.getVertices()});m(b,"getCartesianOffset",function(){return this.unitCell.getCartesianOffset()});m(b,"getFractionalOffset",function(){return this.unitCell.getFractionalOffset()});m(b,"setOffsetPt",function(a){this.unitCell.setOffset(a)},"JU.T3");m(b,"setOffset",function(a){var c=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(a,
c,0,0);this.unitCell.setOffset(c)},"~N");m(b,"getUnitCellMultiplier",function(){return this.unitCell.getUnitCellMultiplier()});m(b,"getUnitCellMultiplied",function(){var a=this.unitCell.getUnitCellMultiplied();if(a===this.unitCell)return this;var c=new JS.Symmetry;c.unitCell=a;return c});m(b,"getCanonicalCopy",function(a,c){return this.unitCell.getCanonicalCopy(a,c)},"~N,~B");m(b,"getUnitCellInfoType",function(a){return this.unitCell.getInfo(a)},"~N");m(b,"getUnitCellInfo",function(a){return null==
this.unitCell?null:this.unitCell.dumpInfo(!1,a)},"~B");m(b,"isSlab",function(){return this.unitCell.isSlab()});m(b,"isPolymer",function(){return this.unitCell.isPolymer()});d(b,"getUnitCellVectors",function(){return this.unitCell.getUnitCellVectors()});m(b,"getUnitCell",function(a,c,f){if(null==a)return null;this.unitCell=JS.UnitCell.fromOABC(a,c);null!=f&&(this.unitCell.name=f);return this},"~A,~B,~S");m(b,"isSupercell",function(){return this.unitCell.isSupercell()});m(b,"notInCentroid",function(a,
c,f){try{var e=new JU.BS,b=c.nextSetBit(0),g=a.getMolecules(),k=g.length,h=a.at,j=g[k-1].firstAtomIndex==a.am[h[b].mi].firstAtomIndex,d=new JU.P3,n=f[6]/100;a=0!=n;a:for(;0<=--k&&c.get(g[k].firstAtomIndex);){var q=g[k].atomList;d.set(0,0,0);for(var b=0,p=q.nextSetBit(0);0<=p;p=q.nextSetBit(p+1))if(j||a)if(d.setT(h[p]),this.isNotCentroid(d,1,f,n))j&&e.set(p);else{if(!j)continue a}else d.add(h[p]),b++;(a||0<b&&this.isNotCentroid(d,b,f,0))&&e.or(q)}return e}catch(v){if(I(v,Exception))return null;throw v;
}},"JM.ModelSet,JU.BS,~A");d(b,"isNotCentroid",function(a,c,f,e){a.scale(1/c);this.toFractional(a,!1);return 0!=e?(c=0<=e?e:5E-6,a.x+c<=f[0]||a.x-c>f[3]||a.y+c<=f[1]||a.y-c>f[4]||a.z+c<=f[2]||a.z-c>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");d(b,"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");m(b,"getSymmetryInfoAtom",function(a,c,f,e,b,g,k,h,j,d,n,q,p){return this.getDesc(a).getSymopInfo(c,f,e,b,g,k,h,j,d,n,q,p)},"JM.ModelSet,~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");m(b,"getSpaceGroupInfo",function(a,c,f,e,b){var g=null==c;if(null==c){var k=a.getModelAuxiliaryInfo(a.vwr.am.cmi);null!=k&&(c=k.get("spaceGroup"))}k=null;null!=b&&(k=(new JS.Symmetry).setUnitCellFromParams(b,!1,NaN));
return this.getDesc(a).getSpaceGroupInfo(this,f,c,0,null,null,null,0,-1,e,g,0,k,null)},"JM.ModelSet,~S,~N,~B,~A");m(b,"getV0abc",function(a,c){var f=null,f=a&&a[0]?a[0]:null;return(null!=f?X(f,"JU.T3"):X(a,Array))?a:JS.UnitCell.getMatrixAndUnitCell(this.unitCell,a,c)},"~O,JU.M4");m(b,"getQuaternionRotation",function(a){return null==this.unitCell?null:this.unitCell.getQuaternionRotation(a)},"~S");m(b,"getFractionalOrigin",function(){return this.unitCell.getFractionalOrigin()});m(b,"getState",function(a,
c,f){var e=null!=a.getInfo(c,"spaceGroupAssigned"),b=this.getFractionalOffset(),g=!1;if(null!=b&&(0!=b.x||0!=b.y||0!=b.z))f.append("; set unitcell ").append(JU.Escape.eP(b)),g=!0;b=this.getUnitCellMultiplier();null!=b&&(f.append("; set unitcell ").append(JU.SimpleUnitCell.escapeMultiplier(b)),g=!0);b=a.getInfo(c,"spaceGroup");e&&null!=b&&(a="\n UNITCELL "+JU.Escape.e(a.getUnitCell(c).getUnitCellVectors()),f.append(a),f.append("\n MODELKIT SPACEGROUP "+JU.PT.esc(b)),f.append(a),g=!0);return g},"JM.ModelSet,~N,JU.SB");
m(b,"getIterator",function(a,c,f,e){return J.api.Interface.getInterface("JS.UnitCellIterator",a,"script").set(this,c,a.ms.at,f,e)},"JV.Viewer,JM.Atom,JU.BS,~N");m(b,"toFromPrimitive",function(a,c,f,e){null==this.unitCell&&(this.unitCell=JS.UnitCell.fromOABC(f,!1));return this.unitCell.toFromPrimitive(a,c,f,e)},"~B,~S,~A,JU.M3");m(b,"generateCrystalClass",function(a){if(null==this.symmetryInfo||!this.symmetryInfo.isCurrentCell)return null;var c=this.getSymmetryOperations(),f=new JU.Lst,e=null==a,b=
0,g=0,k=0;e?(b=2.718281828459045,g=3.141592653589793,k=Math.log10(2E3),a=JU.P3.new3(b+1,g+2,k+3)):a=JU.P3.newP(a);if(null==c||null==this.unitCell)f.addLast(a);else{this.unitCell.toFractional(a,!0);var h=null,j=null;e&&(h=JU.P3.new3(g+4,k+5,b+6),this.unitCell.toFractional(h,!0),j=JU.P3.new3(k+7,b+8,g+9),this.unitCell.toFractional(j,!0));var g=new J.bspt.Bspt(3,0),k=g.allocateCubeIterator(),b=new JU.P3,d=c.length;a:for(;0<=--d;){c[d].rotate2(a,b);k.initialize(b,0.001,!1);if(k.hasMoreElements())continue a;
var n=JU.P3.newP(b);f.addLast(n);g.addTuple(n);e&&(null!=j&&(c[d].rotate2(j,b),f.addLast(JU.P3.newP(b))),null!=h&&(c[d].rotate2(h,b),f.addLast(JU.P3.newP(b))))}for(c=f.size();0<=--c;)b=f.get(c),e&&b.scale(0.5),this.unitCell.toCartesian(b,!0)}return f},"JU.P3");m(b,"calculateCIPChiralityForAtoms",function(a,c){a.setCursor(3);var f=this.getCIPChirality(a),e=a.getBoolean(603979960)?"CIPData":"CIPDataTracker",e=J.api.Interface.getInterface("JS."+e,a,"script").set(a,c);e.setRule6Full(a.getBoolean(603979823));
f.getChiralityForAtoms(e);a.setCursor(0)},"JV.Viewer,JU.BS");m(b,"calculateCIPChiralityForSmiles",function(a,c){a.setCursor(3);var f=this.getCIPChirality(a),e=J.api.Interface.getInterface("JS.CIPDataSmiles",a,"script").setAtomsForSmiles(a,c);f.getChiralityForAtoms(e);a.setCursor(0);return e.getSmilesChiralityArray()},"JV.Viewer,~S");d(b,"getCIPChirality",function(a){return null==this.cip?this.cip=J.api.Interface.getInterface("JS.CIPChirality",a,"script"):this.cip},"JV.Viewer");m(b,"getUnitCellInfoMap",
function(){return null==this.unitCell?null:this.unitCell.getInfo()});m(b,"setUnitCell",function(a){this.unitCell=JS.UnitCell.cloneUnitCell(a.unitCell)},"J.api.SymmetryInterface");m(b,"findSpaceGroup",function(a,c,f,e,b,g,k){return J.api.Interface.getInterface("JS.SpaceGroupFinder",a,"eval").findSpaceGroup(a,c,f,e,b,g,this,k)},"JV.Viewer,JU.BS,~S,~A,JU.T3,~A,~N");m(b,"setSpaceGroupName",function(a){this.symmetryInfo=null;null!=this.spaceGroup&&this.spaceGroup.setName(a)},"~S");m(b,"setSpaceGroupTo",
function(a){this.symmetryInfo=null;this.spaceGroup=X(a,"JS.SpaceGroup")?a:JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(a.toString())},"~O");m(b,"removeDuplicates",function(a,c,f){var e=this.unitCell,b=a.at;a=a.occupancies;for(var g=null!=a,k=Array(c.length()),h=c.nextSetBit(0);0<=h;h=c.nextSetBit(h+1)){var d=k[h]=JU.P3.newP(b[h]);e.toFractional(d,!1);f?e.unitizeRnd(d):e.unitize(d)}for(h=c.nextSetBit(0);0<=h;h=c.nextSetBit(h+1)){f=b[h];d=k[h];f=f.getAtomicAndIsotopeNumber();for(var e=g?a[h]:0,l=c.nextSetBit(h+
1);0<=l;l=c.nextSetBit(l+1))f!=b[l].getAtomicAndIsotopeNumber()||g&&e!=a[l]||1.96E-6>d.distanceSquared(k[l])&&c.clear(l)}return c},"JM.ModelSet,JU.BS,~B");m(b,"getEquivPoints",function(a,c,f){var e=this.getSymmetryOperations();return null==e||null==this.unitCell?null:this.unitCell.getEquivPoints(c,f,e,null==a?new JU.Lst:a,0,0,0)},"JU.Lst,JU.P3,~S");m(b,"getEquivPointList",function(a,c,f,e){var b=null==e?this.getSymmetryOperations():e,g=0<=f.indexOf("newpt"),k=0<=f.indexOf("zapped"),h=a.size(),d=0<=
f.indexOf("tofractional");if(0>f.indexOf("fromfractional"))for(var l=0;l<a.size();l++)this.toFractional(a.get(l),!1);f+=",fromfractional,tofractional";var n=0<c?0:h,q=c==h,p=0<c?c:h;q&&(c--,p--);k&&(p=0);var v=0<c?a.get(c):null;e=null==e?p:n;if(null!=b||null!=this.unitCell)for(l=c;l<h;l++)this.unitCell.getEquivPoints(a.get(l),f,b,a,n,p,e);!k&&(a.size()==c||a.get(c)!==v||q||g)&&h--;for(l=h-c;0<=--l;)a.removeItemAt(c);if(!d)for(l=a.size();--l>=c;)this.toCartesian(a.get(l),!1)},"JU.Lst,~N,~S,~A");m(b,
"getInvariantSymops",function(a,c){var f=this.getSymmetryOperations();if(null==f)return R(0,0);for(var e=new JU.BS,b=new JU.P3,g=new JU.P3,k=f.length,h=1;h<k;h++)b.setT(a),this.unitCell.toFractional(b,!1),this.unitCell.unitize(b),g.setT(b),f[h].rotTrans(b),this.unitCell.unitize(b),1.96E-6>g.distanceSquared(b)&&e.set(h);f=R(e.cardinality(),0);if(null!=c&&f.length!=c.length)return null;b=0;for(h=1;h<k;h++)if(e.get(h)){if(null!=c&&c[b]!=h+1)return null;f[b++]=h+1}return f},"JU.P3,~A");m(b,"getWyckoffPosition",
function(a,c,f){if(null==this.unitCell)return"";var e=this.spaceGroup;null==e&&null!=this.symmetryInfo&&(e=JS.SpaceGroup.determineSpaceGroupN(this.symmetryInfo.sgName),null==e&&(e=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(this.symmetryInfo.intlTableJmolID)));if(null==e||null==e.itaNumber)return"?";null==c?c=JU.P3.new3(0.53,0.2,0.16):(c=JU.P3.newP(c),this.unitCell.toFractional(c,!1),this.unitCell.unitize(c));null==JS.Symmetry.wyckoffFinder&&(JS.Symmetry.wyckoffFinder=J.api.Interface.getInterface("JS.WyckoffFinder",
null,"symmetry"));try{var b=JS.Symmetry.wyckoffFinder.getWyckoffFinder(a,e),g=null!=f&&"M"==f.charAt(0);g&&(f=1==f.length?null:f.substring(1));var k=null==f?-1:f.equalsIgnoreCase("coord")?-2:f.equalsIgnoreCase("coords")?-3:f.endsWith("*")?f.charAt(0).charCodeAt(0):0;if(0!=k)return null==b?"?":b.getInfo(this.unitCell,c,k,g);if(null==b.findPositionFor(c,f))return null;this.unitCell.toCartesian(c,!1);return c}catch(h){if(I(h,Exception))return h.printStackTrace(),null==f?"?":null;throw h;}},"JV.Viewer,JU.P3,~S");
m(b,"getTransform",function(a,c,f){return this.getDesc(null).getTransform(this.unitCell,this.getSymmetryOperations(),a,c,f)},"JU.P3,JU.P3,~B");m(b,"isWithinUnitCell",function(a,c,f,e){return this.unitCell.isWithinUnitCell(c,f,e,a)},"JU.P3,~N,~N,~N");m(b,"checkPeriodic",function(a){return this.unitCell.checkPeriodic(a)},"JU.P3");m(b,"staticConvertOperation",function(a,c){return null==c?JS.SymmetryOperation.stringToMatrix(a):JS.SymmetryOperation.getXYZFromMatrixFrac(c,!1,!1,!1,!0)},"~S,JU.M4");m(b,
"getSubgroupJSON",function(a,c,f,e,b){var g=0>f,k=0==f&&0==e,h=0==f&&0>e,d=0==f&&0<e&&0>b,l=0==f&&0<e&&0<b,n=0<f&&0>e,q=0<f&&0<e&&0>b,p=0<f&&0<e&&0<b;try{var v=this.getSpaceGroupJSON(a,"subgroups","map",c);a=0;if(null!=v){if(g)return v;if(k||h){for(var r=v.get("subgroups"),s=r.size(),m=k?R(s,0):null,u=h?new JU.BS:null,t=s;0<=--t;){var v=r.get(t),y=v.get("subgroup").intValue();if(h)u.set(y);else{var S=v.get("subgroupIndex").intValue(),B="k".equals(v.get("trType"))?2:1,z=1==B?v.get("trSubtype"):"",
E=v.get("det").doubleValue(),H=A(1>E?-1/E:E);z.equals("ct")?B=3:z.equals("eu")&&(B=4);var w=v.get("trm").size();m[t]=R(-1,[y,w,S,H,B])}}if(h){var D=R(u.cardinality(),0);c=0;for(t=u.nextSetBit(0);0<=t;t=u.nextSetBit(t+1))D[c++]=t;return D}return m}r=v.get("subgroups");u=0;s=r.size();if(d||l){if(e>s)throw new ArrayIndexOutOfBoundsException("no map.subgroups["+e+"]!");u=e-1;if(d)return r.get(u);s=e}for(var C=n?new JU.Lst:null,t=u;t<s;t++)if(v=r.get(t),y=v.get("subgroup").intValue(),l||y==f){if(++a==
e){if(q)return v}else if(p)continue;if(n)C.addLast(v);else{var F=v.get("trms"),s=F.size();return 1>b||b>s?null:F.get(b-1).get("trm")}}if(n&&!C.isEmpty())return C}if(0==e)return null;if(p&&0<a)throw new ArrayIndexOutOfBoundsException("only "+a+" maximal subgroup information for "+c+">>"+f+"!");throw new ArrayIndexOutOfBoundsException("no maximal subgroup information for "+c+">>"+f+"!");}catch(U){if(I(U,Exception))return U.getMessage();throw U;}},"JV.Viewer,~N,~N,~N,~N");m(b,"getSpaceGroupJSON",function(a,
c,f,e){null==a&&(a=this.vwr);var b=c.equals("settings"),g=!b&&c.equals("subgroups"),k=(b||g)&&-2147483648==e,h=!b&&!g?c:k?this.getSpaceGroupName():""+e;try{var d,l=null,n,q,p;if(b||g)if(q=!0,p=b?f:null,k){if(d=JU.PT.parseInt(this.getIntTableNumber()),b)if(null==this.spaceGroup){var v=this.symmetryInfo.getDerivedSpaceGroup();if(null==v)return new java.util.Hashtable;p=v.jmolId}else p=this.getIntTableNumberFull()}else d=e;else{p=f;var r=p.indexOf("(");0>r&&(r=p.indexOf(":"));if(n=0<=r&&p.indexOf(",")>
r)l=p.substring(r+1,p.length-(p.endsWith(")")?1:0)),p=p.substring(0,r),k=!0;d=p.equalsIgnoreCase("ALL")?0:JU.PT.parseInt(p);q=-2147483648!=d;r=p.indexOf(".");!n&&(q&&0==e&&0<r)&&(e=JU.PT.parseInt(p.substring(r+1)),p=p.substring(0,r))}if(q&&(230<d||(b?1>d:0>d)))throw new ArrayIndexOutOfBoundsException(d);if(g){null==JS.Symmetry.itaSubData&&(JS.Symmetry.itaSubData=Array(230));var s=JS.Symmetry.itaSubData[d-1];null==s&&(JS.Symmetry.itaSubData[d-1]=s=this.getResource(a,"sg/json/sub_"+d+".json"));if(null!=
s)return s}else if(b||c.equalsIgnoreCase("ITA")){if(0==d)return null==JS.Symmetry.allDataITA&&(JS.Symmetry.allDataITA=this.getResource(a,"sg/json/ita_all.json")),JS.Symmetry.allDataITA;null==JS.Symmetry.itaData&&(JS.Symmetry.itaData=Array(230));s=JS.Symmetry.itaData[d-1];null==s&&(JS.Symmetry.itaData[d-1]=s=this.getResource(a,"sg/json/ita_"+d+".json"));if(null!=s){if(0==e&&null==l)return s;var m=s.get("its");if(null!=m){if(b&&!k)return m;var u=m.size(),t=q&&!k?e:u;if(t>u)return null;for(u=null;0<=
--t;){u=m.get(t);if(t==e-1||(null==l?p.equals(u.get("jmolId")):l.equals(u.get("trm")))){System.out.println(l);System.out.println(u);if(!u.containsKey("more"))return u;break}u=null}if(null!=u)return JS.SpaceGroup.fillMoreData(u,u.get("clegId"),d,m.get(0))}}}else if(c.equalsIgnoreCase("AFLOW")&&null==l){null==JS.Symmetry.aflowStructures&&(JS.Symmetry.aflowStructures=this.getResource(a,"sg/json/aflow_structures.json"));if(0==d)return JS.Symmetry.aflowStructures;if(-2147483648==d){e=null;p.endsWith("*")&&
(e=new JU.Lst,p=p.substring(0,p.length-1));for(k=1;230>=k;k++)for(var y=JS.Symmetry.aflowStructures.get(""+k),t=0,u=y.size();t<u;t++){var S=y.get(t);if(null!=e&&S.startsWith(p))e.addLast("=aflowlib/"+k+"."+(t+1)+"\t"+S);else if(S.equalsIgnoreCase(p))return k+"."+(t+1)}return null!=e&&0<e.size()?e:null}var B=JS.Symmetry.aflowStructures.get(""+p);if(e<=B.size())return 0==e?B:B.get(e-1)}if(k)return new java.util.Hashtable;throw new IllegalArgumentException(h);}catch(z){if(I(z,Exception))return z.getMessage();
throw z;}},"JV.Viewer,~S,~O,~N");d(b,"getResource",function(a,c){try{var f=JV.FileManager.getBufferedReaderForResource(a,this,"JS/",c),e=Array(1);if(JU.Rdr.readAllAsString(f,2147483647,!1,e,0))return(new JU.JSJSONParser).parse(e[0],!0)}catch(b){System.err.println(b.getMessage())}return null},"JV.Viewer,~S");m(b,"getCellWeight",function(a){return this.unitCell.getCellWeight(a)},"JU.P3");m(b,"getPrecision",function(){return null==this.unitCell?NaN:this.unitCell.getPrecision()});m(b,"fixUnitCell",function(a){return JS.UnitCell.createCompatibleUnitCell(this.spaceGroup,
a,null,!0)},"~A");m(b,"staticGetTransformABC",function(a,c){return JS.SymmetryOperation.getTransformABC(a,c)},"~O,~B");d(b,"setCartesianOffset",function(a){this.unitCell.setCartesianOffset(a)},"JU.T3");d(b,"setSymmetryInfoFromFile",function(a,c,f){var e=a.getModelAuxiliaryInfo(c);this.symmetryInfo=new JS.SymmetryInfo;f=this.symmetryInfo.setSymmetryInfoFromFile(e,f);null!=f&&(this.setUnitCellFromParams(f,e.containsKey("jmolData"),NaN),this.unitCell.moreInfo=e.get("moreUnitCellInfo"),e.put("infoUnitCell",
this.getUnitCellAsArray(!1)),this.setOffsetPt(e.get("unitCellOffset")),e=e.get("matUnitCellOrientation"),null!=e&&this.initializeOrientation(e),null!=this.symmetryInfo.strSUPERCELL&&(e=this.unitCell.getUnitCellVectors(),e[0]=new JU.P3,a.setModelCagePts(c,e,"conventional")),JU.Logger.debugging&&JU.Logger.debug("symmetryInfos["+c+"]:\n"+this.unitCell.dumpInfo(!0,!0)))},"JM.ModelSet,~N,~A");d(b,"transformUnitCell",function(a){null==a&&(a=JS.UnitCell.toTrm(this.spaceGroup.itaTransform,null));var c=JU.M4.newM4(a);
c.invert();for(var f=this.getUnitCellVectors(),e=1;3>=e;e++)this.toFractional(f[e],!0),c.rotate(f[e]),this.toCartesian(f[e],!0);c=new JU.P3;a.getTranslation(c);this.toCartesian(c,!0);f[0].add(c);this.unitCell=JS.UnitCell.fromOABC(f,!1)},"JU.M4");m(b,"getITASettingValue",function(a,c,f){a=this.getSpaceGroupJSON(a,"ITA",c,0);return X(a,"java.util.Map")?a.get(f):a},"JV.Viewer,~S,~S");m(b,"staticCleanTransform",function(a){return JS.SymmetryOperation.getTransformABC(JS.UnitCell.toTrm(a,null),!0)},"~S");
m(b,"replaceTransformMatrix",function(a){var c=this.transformMatrix;this.transformMatrix=a;return c},"JU.M4");m(b,"getUnitCellDisplayName",function(){var a=null!=this.symmetryInfo?this.symmetryInfo.getDisplayName(this):null!=this.spaceGroup?this.spaceGroup.getDisplayName():null;return 0<a.length?a:null});m(b,"staticToRationalXYZ",function(a,c){var f=JS.SymmetryOperation.fcoord(a,c);return",".equals(c)?f:"("+f+")"},"JU.P3,~S");m(b,"getClegId",function(){return null!=this.symmetryInfo?this.symmetryInfo.getDerivedSpaceGroup().getClegId():
this.spaceGroup.getClegId()});m(b,"getFinalOperationCount",function(){this.setFinalOperations(3,null,null,-1,-1,!1,null);return this.spaceGroup.getOperationCount()});m(b,"convertTransform",function(a,c){if(null==a)return this.staticGetTransformABC(c,!1);if(a.equals("xyz"))return null==c?null:JS.SymmetryOperation.getXYZFromMatrix(c,!1,!1,!1);null==c&&(c=new JU.M4);JS.UnitCell.getMatrixAndUnitCell(null,a,c);return c},"~S,JU.M4");m(b,"staticGetMatrixTransform",function(a,c){return this.getCLEGInstance().getMatrixTransform(a,
c)},"JV.Viewer,~S");m(b,"staticTransformSpaceGroup",function(a,c,f,e,b){return this.getCLEGInstance().transformSpaceGroup(a,c,f,e,b)},"JV.Viewer,JU.BS,~S,~O,JU.SB");d(b,"getCLEGInstance",function(){null==JS.Symmetry.clegInstance&&(JS.Symmetry.clegInstance=J.api.Interface.getInterface("JS.CLEG",null,"symmetry"));return JS.Symmetry.clegInstance});m(b,"setViewer",function(a){this.vwr=a;return this},"JV.Viewer");b.nullDesc=null;b.aflowStructures=null;b.itaData=null;b.itaSubData=null;b.allDataITA=null;
b.wyckoffFinder=null;b.clegInstance=null});Y("JS");ba(["JU.M3","$.V3"],"JS.PointGroup","java.util.Hashtable JU.Lst $.P3 $.PT $.Quat $.SB J.bspt.Bspt JU.BSUtil $.Escape $.Logger $.Point3fi".split(" "),function(){var b=P(function(){this.isAtoms=!1;this.iter=this.textInfo=this.info=this.drawInfo=null;this.drawType="";this.drawIndex=0;this.scale=NaN;this.axes=this.nAxes=null;this.radius=this.nAtoms=0;this.distanceTolerance=0.25;this.distanceTolerance2=0;this.linearTolerance=8;this.cosTolerance=0.99;this.name=
"C_1?";this.principalPlane=this.principalAxis=null;this.convention=0;this.vTemp=null;this.centerAtomIndex=-1;this.haveInversionCenter=!1;this.bsAtoms=this.atomMap=this.elements=this.points=this.center=null;this.$isLinear=this.localEnvOnly=this.haveVibration=!1;this.sppa=0;this.maxAtoms=250;this.maxElement=0;this.eCounts=null;this.nOps=0;sa("JS.PointGroup.Operation")||JS.PointGroup.$PointGroup$Operation$();O(this,arguments)},JS,"PointGroup",null);ca(b,function(){this.nAxes=R(JS.PointGroup.maxAxis,
0);this.axes=Array(JS.PointGroup.maxAxis);this.vTemp=new JU.V3});K(b,function(a){this.convention=a?1:0},"~B");d(b,"getName",function(){return this.getConventionalName(this.name)});d(b,"getHermannMauguinName",function(){return JS.PointGroup.getHMfromSFName(this.name)});d(b,"getConventionalName",function(a){return 1==this.convention?JS.PointGroup.getHMfromSFName(a):a},"~S");b.getPointGroup=d(b,"getPointGroup",function(a,c,f,e,b,g,k,h,d,l,n){l=new JS.PointGroup(l);0>=g&&(g=0.01);0>=k&&(k=0.5);0>=h&&
(h=250);l.distanceTolerance=g;l.distanceTolerance2=g*g;l.linearTolerance=k;l.maxAtoms=h;l.isAtoms=null!=e;l.bsAtoms=l.isAtoms?e:JU.BSUtil.newBitSet2(0,f.length);l.haveVibration=b;l.center=c;l.localEnvOnly=d;l.sppa=n;JU.Logger.debugging&&(a=null);return l.set(a,f)?l:a},"JS.PointGroup,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B,~B,~N");d(b,"isEqual",function(a){if(null==a||(this.convention!=a.convention||this.linearTolerance!=a.linearTolerance||this.distanceTolerance!=a.distanceTolerance||this.nAtoms!=a.nAtoms||
this.localEnvOnly!=a.localEnvOnly||this.haveVibration!=a.haveVibration||null==this.bsAtoms?null!=a.bsAtoms:!this.bsAtoms.equals(a.bsAtoms)))return!1;for(var c=0;c<this.nAtoms;c++)if(this.elements[c]!=a.elements[c]||!this.points[c].equals(a.points[c]))return!1;return!0},"JS.PointGroup");d(b,"set",function(a,c){this.cosTolerance=Math.cos(3.141592653589793*(this.linearTolerance/180));if(!this.getPointsAndElements(c))return JU.Logger.error("Too many atoms for point group calculation"),this.name="point group not determined -- ac > "+
this.maxAtoms+" -- select fewer atoms and try again.",!0;this.getElementCounts();if(this.haveVibration){for(var f=Array(this.points.length),e=this.points.length;0<=--e;){f[e]=JU.P3.newP(this.points[e]);var b=this.points[e].getVibrationVector();null!=b&&f[e].add(b)}this.points=f}if(this.isEqual(a))return!1;try{this.findInversionCenter();if(this.$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]++]=ka(JS.PointGroup.Operation,this,null,this.vTemp)),!0;this.axes[0]=Array(15);f=0;this.findCAxes();f=this.findPlanes();this.findAdditionalAxes(f);var g=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>g){if(1==f)return this.name="Cs",!0;if(this.haveInversionCenter)return this.name="Ci",!0;this.name="C1"}else 1==g%2&&0<this.nAxes[16]||0==g%2&&1<this.nAxes[16]?(this.principalAxis=this.setPrincipalAxis(g,f),0==f?this.name=14>g?"S"+g:"D"+(g-14):(g=14>g?A(g/2):g-14,this.name=f==g?"D"+g+"d":"D"+g+"h")):0==f?(this.principalAxis=this.axes[g][0],this.name=14>g?"S"+g:"C"+(g-14)):f==g-14?(this.principalAxis=this.axes[g][0],this.name="C"+f+"v"):(this.principalAxis=this.axes[14>g?g+14:g][0],
this.principalPlane=this.axes[0][0],this.name="C"+(14>g?g/2:g-14)+"h")}catch(k){if(I(k,Exception))this.name="??";else throw k;}finally{JU.Logger.info("Point group found: "+this.name)}return!0},"JS.PointGroup,~A");d(b,"setPrincipalAxis",function(a,c){var f=this.setPrincipalPlane(a,c);if(0==c&&14>a||1==this.nAxes[a])return this.axes[a][0];if(null==f)return null;for(var e=0;e<this.nAxes[16];e++)if(this.isParallel(f.normalOrAxis,this.axes[16][e].normalOrAxis))return 0!=e&&(f=this.axes[16][0],this.axes[16][0]=
this.axes[16][e],this.axes[16][e]=f),this.axes[16][0];return null},"~N,~N");d(b,"setPrincipalPlane",function(a,c){if(1==c)return this.principalPlane=this.axes[0][0];if(0==c||c==a-14)return null;for(var f=0;f<c;f++)for(var e=0,b=0;e<c;e++)if(this.isPerpendicular(this.axes[0][f].normalOrAxis,this.axes[0][e].normalOrAxis)&&2<++b)return 0!=f&&(e=this.axes[0][0],this.axes[0][0]=this.axes[0][f],this.axes[0][f]=e),this.principalPlane=this.axes[0][0];return null},"~N,~N");d(b,"getPointsAndElements",function(a){var c=
this.bsAtoms.cardinality();if(this.isAtoms&&c>this.maxAtoms)return!1;this.points=Array(c);this.elements=R(c,0);if(0==c)return!0;for(var f=0,c=this.bsAtoms.nextSetBit(0);0<=c;c=this.bsAtoms.nextSetBit(c+1)){var e=a[c];X(e,"JU.Node")&&(f=Math.max(f,e.i))}this.atomMap=R(f+1,0);this.nAtoms=0;if(f=null==this.center)this.center=new JU.P3;for(var b=new J.bspt.Bspt(3,0),c=this.bsAtoms.nextSetBit(0);0<=c;c=this.bsAtoms.nextSetBit(c+1),this.nAtoms++){e=a[c];if(X(e,"JU.Node")){var g=this.localEnvOnly?1:1+Math.max(3,
e.getCovalentBondCount());this.elements[this.nAtoms]=e.getElementNumber()*g;this.atomMap[e.i]=this.nAtoms+1}else g=new JU.Point3fi,g.setT(e),g.i=-1-this.nAtoms,X(e,"JU.Point3fi")&&(this.elements[this.nAtoms]=Math.max(0,e.sD)),e=g;b.addTuple(e);f&&this.center.add(e);this.points[this.nAtoms]=e}this.iter=b.allocateCubeIterator();f&&this.center.scale(1/this.nAtoms);for(c=this.nAtoms;0<=--c;)a=this.center.distanceSquared(this.points[c]),this.isAtoms&&a<this.distanceTolerance2&&(this.centerAtomIndex=c),
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");d(b,"findInversionCenter",function(){if(this.haveInversionCenter=this.checkOperation(null,this.center,-1))this.axes[1]=Array(1),this.axes[1][0]=ka(JS.PointGroup.Operation,
this,null)});d(b,"checkOperation",function(a,c,f){var e=new JU.P3,b=0;f=14>f;var g=this.points.length,k=g;a:for(;0<=--k&&b<g;)if(k!=this.centerAtomIndex){var h=this.points[k],d=this.elements[k];null!=a?(e.sub2(h,c),a.transform2(e,e).add(c)):e.setT(h);f&&(this.vTemp.sub2(c,e),e.scaleAdd2(2,this.vTemp,e));if((null!=a||f)&&e.distanceSquared(h)<this.distanceTolerance2)b++;else{for(this.iter.initialize(e,this.distanceTolerance,!1);this.iter.hasMoreElements();){var l=this.iter.nextElement();if(l!==h){var n=
this.getPointIndex(l.i);if(!(0<=this.centerAtomIndex&&n==this.centerAtomIndex||n>=this.elements.length||this.elements[n]!=d)&&e.distanceSquared(l)<this.distanceTolerance2){b++;continue a}}}return!1}}return!0},"JU.Quat,JU.T3,~N");d(b,"getPointIndex",function(a){return(0>a?-a:this.atomMap[a])-1},"~N");d(b,"isLinear",function(a){var c=null;if(2>a.length)return!1;for(var f=a.length;0<=--f;)if(f!=this.centerAtomIndex)if(null==c)c=new JU.V3,c.sub2(a[f],this.center),c.normalize(),this.vTemp.setT(c);else if(this.vTemp.sub2(a[f],
this.center),this.vTemp.normalize(),!this.isParallel(c,this.vTemp))return!1;return!0},"~A");d(b,"isParallel",function(a,c){return Math.abs(a.dot(c))>=this.cosTolerance},"JU.V3,JU.V3");d(b,"isPerpendicular",function(a,c){return Math.abs(a.dot(c))<=1-this.cosTolerance},"JU.V3,JU.V3");d(b,"getElementCounts",function(){for(var a=this.points.length;0<=--a;){var c=this.elements[a];c>this.maxElement&&(this.maxElement=c)}this.eCounts=R(++this.maxElement,0);for(a=this.points.length;0<=--a;)this.eCounts[this.elements[a]]++});
d(b,"findCAxes",function(){for(var a=new JU.V3,c=new JU.V3,f=new JU.V3,e=this.points.length;0<=--e;)if(e!=this.centerAtomIndex)for(var b=this.points[e],g=this.elements[e],k=this.points.length;--k>e;){var d=this.points[k];if(this.elements[k]==g)if(a.sub2(b,this.center),c.sub2(d,this.center),a.normalize(),c.normalize(),this.isParallel(a,c))this.getAllAxes(a);else{this.nAxes[16]<JS.PointGroup.axesMaxN[16]&&(f.ave(b,d),f.sub(this.center),this.getAllAxes(f));var d=6.283185307179586/a.angle(c),j=A(Math.floor(d+
0.01));if(0.02>=d-j&&!((j+=14)>=JS.PointGroup.maxAxis)&&this.nAxes[j]<JS.PointGroup.axesMaxN[j])f.cross(a,c),this.checkAxisOrder(j,f,this.center)}}b=Array(2*this.nAxes[16]);for(e=0;e<b.length;e++)b[e]=new JU.V3;for(e=k=0;e<this.nAxes[16];e++)b[k++].setT(this.axes[16][e].normalOrAxis),b[k].setT(this.axes[16][e].normalOrAxis),b[k++].scale(-1);for(e=b.length;2<=--e;)for(k=e;1<=--k;)for(g=k;0<=--g;)f.add2(b[e],b[k]),f.add(b[g]),1>f.length()||this.checkAxisOrder(17,f,this.center);k=2147483647;b=-1;for(e=
0;e<this.maxElement;e++)this.eCounts[e]<k&&2<this.eCounts[e]&&(k=this.eCounts[e],b=e);e=0;a:for(;e<this.points.length-2;e++)if(this.elements[e]==b)for(k=e+1;k<this.points.length-1;k++)if(this.elements[k]==b)for(g=k+1;g<this.points.length;g++)if(this.elements[g]==b&&(a.sub2(this.points[e],this.points[k]),c.sub2(this.points[e],this.points[g]),a.normalize(),c.normalize(),f.cross(a,c),this.getAllAxes(f),a.add2(this.points[e],this.points[k]),a.add(this.points[g]),a.normalize(),this.isParallel(a,f)||this.getAllAxes(a),
this.nAxes[19]==JS.PointGroup.axesMaxN[19]))break a;b=Array(this.maxElement);for(e=this.points.length;0<=--e;){g=this.elements[e];if(null==b[g])b[g]=new JU.V3;else if(this.haveInversionCenter)continue;b[g].add(this.points[e])}if(!this.haveInversionCenter)for(e=0;e<this.maxElement;e++)null!=b[e]&&b[e].scale(1/this.eCounts[e]);for(e=0;e<this.maxElement;e++)if(null!=b[e])for(k=0;k<this.maxElement;k++)e==k||null==b[k]||(this.haveInversionCenter?a.cross(b[e],b[k]):a.sub2(b[e],b[k]),this.checkAxisOrder(16,
a,this.center));return this.getHighestOrder()});d(b,"getAllAxes",function(a){for(var c=16;c<JS.PointGroup.maxAxis;c++)this.nAxes[c]<JS.PointGroup.axesMaxN[c]&&this.checkAxisOrder(c,a,this.center)},"JU.V3");d(b,"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});d(b,"checkAxisOrder",function(a,c,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}c.normalize();if(this.haveAxis(a,c))return!1;var e=JS.PointGroup.getQuaternion(c,a);if(!this.checkOperation(e,f,a))return!1;this.addAxis(a,c);switch(a){case 16:this.checkAxisOrder(4,c,f);break;case 17:this.checkAxisOrder(3,c,f);this.haveInversionCenter&&this.addAxis(6,c);break;case 18:this.addAxis(16,c);this.checkAxisOrder(4,c,f);this.checkAxisOrder(8,c,
f);break;case 19:this.checkAxisOrder(5,c,f);this.haveInversionCenter&&this.addAxis(10,c);break;case 20:this.addAxis(16,c);this.addAxis(17,c);this.checkAxisOrder(3,c,f);this.checkAxisOrder(6,c,f);this.checkAxisOrder(12,c,f);break;case 22:this.addAxis(16,c),this.addAxis(18,c)}return!0},"~N,JU.V3,JU.T3");d(b,"addAxis",function(a,c){this.haveAxis(a,c)||(null==this.axes[a]&&(this.axes[a]=Array(JS.PointGroup.axesMaxN[a])),this.axes[a][this.nAxes[a]++]=ka(JS.PointGroup.Operation,this,null,c,a))},"~N,JU.V3");
d(b,"haveAxis",function(a,c){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(c,this.axes[a][f].normalOrAxis))return!0;return!1},"~N,JU.V3");d(b,"findPlanes",function(){for(var a=new JU.P3,c=new JU.V3,f=new JU.V3,e=new JU.V3,b=0,g=1<this.getHighestOrder(),k=this.points.length;0<=--k;)if(k!=this.centerAtomIndex)for(var d=this.points[k],j=this.elements[k],l=this.points.length;--l>k;)if(!(g&&this.elements[l]!=j)&&(b=this.points[l],
a.add2(d,b),a.scale(0.5),c.sub2(d,this.center),f.sub2(b,this.center),c.normalize(),f.normalize(),this.isParallel(c,f)||(e.cross(c,f),e.normalize(),this.getPlane(e)),e.sub2(b,d),e.normalize(),b=this.getPlane(e),b==JS.PointGroup.axesMaxN[0]))return b;if(g)for(k=16;k<JS.PointGroup.maxAxis;k++)for(l=0;l<this.nAxes[k];l++)b=this.getPlane(this.axes[k][l].normalOrAxis);return b});d(b,"getPlane",function(a){!this.haveAxis(0,a)&&this.checkOperation(JU.Quat.newVA(a,180),this.center,-1)&&(this.axes[0][this.nAxes[0]++]=
ka(JS.PointGroup.Operation,this,null,a));return this.nAxes[0]},"JU.V3");d(b,"findAdditionalAxes",function(a){var c=this.axes[0],f=0;if(1<a&&(f=a+14)<JS.PointGroup.maxAxis&&0==this.nAxes[f])this.vTemp.cross(c[0].normalOrAxis,c[1].normalOrAxis),!this.checkAxisOrder(f,this.vTemp,this.center)&&2<a&&(this.vTemp.cross(c[1].normalOrAxis,c[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 e=f+1;e<a;e++)this.vTemp.add2(c[1].normalOrAxis,c[2].normalOrAxis),
this.checkAxisOrder(16,this.vTemp,this.center)},"~N");b.getQuaternion=d(b,"getQuaternion",function(a,c){return JU.Quat.newVA(a,(14>c?180:0)+(0==c?0:A(360/(c%14))))},"JU.V3,~N");d(b,"getInfo",function(a,c,f,e,b,g){var k=null!=c;this.info=f?new java.util.Hashtable:null;var d=new JU.V3,j;0==g&&(g=1);this.scale=g;for(var l=R(4,2,0),n=1;n<JS.PointGroup.maxAxis;n++)for(var q=this.nAxes[n];0<=--q;)l[this.axes[n][q].type][0]++;var p=(new JU.SB).append("# ").appendI(this.nAtoms).append(" atoms\n"),v=this.getConventionalName(this.name);
if(k){c="draw "+c;this.drawType=e=(f=null!=e&&0<e.length)?e:"";this.drawIndex=b;var r=e.equalsIgnoreCase(this.getConventionalName("Cn")),m=e.equalsIgnoreCase(this.getConventionalName("Sn"));p.append("set perspectivedepth off;\n");var x="_"+a+"_";f||p.append(c+"pg0").append(x).append("* delete;draw pgva").append(x).append("* delete;draw pgvp").append(x).append("* delete;");if(!f||e.equalsIgnoreCase("Ci"))p.append(c+"pg0").append(x).append(this.haveInversionCenter?"inv ":" ").append(JU.Escape.eP(this.center)).append(this.haveInversionCenter?
'"i";\n':";\n");for(var u=0.1,n=2;n<JS.PointGroup.maxAxis;n++)if(14==n&&(u=0.1),0!=this.nAxes[n]){a=!this.$isLinear?this.axes[n][0].getLabel(!1):"C_infinity";var k=!this.$isLinear?this.axes[n][0].getLabel(!0):"C_infinity",u=u+0.25,t=1.05*g*this.radius+80*u/this.sppa,q=14<=n;if(!f||e.equalsIgnoreCase(k)||r&&q||m&&!q)for(q=0;q<this.nAxes[n];q++)if(!(0<b&&q+1!=b)){j=this.axes[n][q];d.add2(j.normalOrAxis,this.center);p.append(c+"pgva").append(x).append(a).append("_").appendI(q+1).append(" width 0.05 scale ").appendF(2==
j.type?-t:t).append(" ").append(JU.Escape.eP(d));d.scaleAdd2(-2,j.normalOrAxis,d);var y=!this.$isLinear&&null!=this.principalAxis&&j.index==this.principalAxis.index;p.append(JU.Escape.eP(d)).append('"').append(k).append("").append('" color ').append(y?"red":2==j.type?"blue":"orange").append(";\n")}}if(!f||e.equalsIgnoreCase(this.getConventionalName("Cs")))for(q=0;q<this.nAxes[0];q++)0<b&&q+1!=b||(j=this.axes[0][q],p.append(c+"pgvp").append(x).appendI(q+1).append("disk scale ").appendF(2*g*this.radius).append(" CIRCLE PLANE ").append(JU.Escape.eP(this.center)),
d.add2(j.normalOrAxis,this.center),p.append(JU.Escape.eP(d)).append(" color translucent yellow;\n"),d.add2(j.normalOrAxis,this.center),p.append(c+"pgvp").append(x).appendI(q+1).append("ring width 0.05 scale ").appendF(2*g*this.radius).append(" arc ").append(JU.Escape.eP(d)),d.scaleAdd2(-2,j.normalOrAxis,d),p.append(JU.Escape.eP(d)),d.add3(0.011,0.012,0.013),p.append(JU.Escape.eP(d)).append("{0 360 0.5} color ").append(null!=this.principalPlane&&j.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(l[1][0]);p.append(", n"+this.getConventionalName("Sn")+"=").appendI(l[2][0]);p.append(": ");for(n=JS.PointGroup.maxAxis;2<=--n;)0<this.nAxes[n]&&(l=this.getConventionalName((14>n?"S":"C")+n%14),p.append(" n").append(l),p.append("=").appendI(this.nAxes[n]));
p.append(";\n");p.append("print '"+v+"';\n");this.drawInfo=p.toString();JU.Logger.debugging&&JU.Logger.info(this.drawInfo);return this.drawInfo}q=0;c=1;e=0;n=this.haveInversionCenter?this.getConventionalName("Ci"):"center";this.haveInversionCenter&&(c++,e++);f?null!=this.center&&(this.info.put(n,this.center),this.haveInversionCenter&&this.info.put("center",this.center),this.info.put(n,this.center)):p.append("\n\n").append(v).append("\t").append(n).append("\t").append(JU.Escape.eP(this.center));for(n=
JS.PointGroup.maxAxis;0<=--n;)if(0<this.nAxes[n]){q=JS.PointGroup.nUnique[n];k=this.axes[n][0].getLabel(!0);a=this.axes[n][0].getLabel(!1);f?this.info.put("n"+a,Integer.$valueOf(this.nAxes[n])):p.append("\n\n").append(v).append("\tn").append(k).append("\t").appendI(this.nAxes[n]).append("\t").appendI(q);q*=this.nAxes[n];c+=q;e+=this.nAxes[n];l[this.axes[n][0].type][1]+=q;k=f?new JU.Lst:null;b=f?new JU.Lst:null;for(q=0;q<this.nAxes[n];q++)g=this.axes[n][q],f?(k.addLast(g.normalOrAxis),b.addLast(g.getM3())):
p.append("\n").append(v).append("\t").append(a).append("_").appendI(q+1).append("\t").appendO(g.normalOrAxis);f&&(this.info.put(a,k),this.info.put(a+"_m",b))}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"),q=this.haveInversionCenter?1:0,p.append("\n").append(v).append("\t"+this.getConventionalName("Ci")+"\t  ").appendI(q).append("\t  ").appendI(q),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,"    ",l[1][0]+"\t"),JU.PT.rightJustify(p,"    ",l[1][1]+"\n"),p.append(v).append("\t"+this.getConventionalName("Sn")+"\t"),JU.PT.rightJustify(p,"    ",l[2][0]+"\t"),JU.PT.rightJustify(p,"    ",l[2][1]+"\n"),p.append(v).append("\t\tTOTAL\t"),JU.PT.rightJustify(p,"    ",c+"\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(c));this.info.put("nElements",Integer.$valueOf(e));this.info.put("nCi",Integer.$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(l[1][0]));this.info.put("nSn",
Integer.$valueOf(l[2][0]));this.info.put("distanceTolerance",Float.$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");d(b,"isDrawType",function(a,c,f){return null!=this.drawInfo&&this.drawType.equals(null==a?"":a)&&this.drawIndex==c&&this.scale==f},"~S,~N,~N");b.getHMfromSFName=d(b,"getHMfromSFName",function(a){if(null==JS.PointGroup.htSFToHM){JS.PointGroup.htSFToHM=new java.util.Hashtable;var c=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<c.length;f++){var e=
c[f].$plit(","),b=e[0];if(2==e.length)JS.PointGroup.addNames(b,e[1]);else{for(var g=b.substring(0,1),b=b.substring(2,b.length),d=1;13>d;d++){var h=e[d];0<h.length&&(JS.PointGroup.addNames(g+d+b,h),System.out.println(g+d+b+"\t"+h))}14==e.length&&JS.PointGroup.addNames(g+"\u221e"+b,e[13])}}}c=JS.PointGroup.htSFToHM.get(a);return null==c?a:c},"~S");b.addNames=d(b,"addNames",function(a,c){JS.PointGroup.htSFToHM.put(a,c);JS.PointGroup.htSFToHM.put(c,a)},"~S,~S");b.$PointGroup$Operation$=function(){var a=
P(function(){ta(this,arguments);this.index=this.order=this.type=0;this.normalOrAxis=null;this.typeOrder=0;this.mat=null;O(this,arguments)},JS.PointGroup,"Operation",null);K(a,function(){this.index=++this.b$["JS.PointGroup"].nOps;this.type=3;this.typeOrder=this.order=1;JU.Logger.debugging&&JU.Logger.debug("new operation -- "+JS.PointGroup.typeNames[this.type])});K(a,function(a,f){this.index=++this.b$["JS.PointGroup"].nOps;this.type=14>f?2:1;this.typeOrder=f;this.order=f%14;this.normalOrAxis=JU.Quat.newVA(a,
180).getNormal();JU.Logger.debugging&&JU.Logger.debug("new operation -- "+(this.order==f?"S":"C")+this.order+" "+this.normalOrAxis)},"JU.V3,~N");K(a,function(a){null!=a&&(this.index=++this.b$["JS.PointGroup"].nOps,this.type=0,this.normalOrAxis=JU.Quat.newVA(a,180).getNormal(),JU.Logger.debugging&&JU.Logger.debug("new operation -- plane "+this.normalOrAxis))},"JU.V3");d(a,"getLabel",function(a){var f;switch(this.type){case 0:f="Cs";break;case 2:f="S"+this.order;break;default:f="C"+this.order}return a?
this.b$["JS.PointGroup"].getConventionalName(f):f},"~B");d(a,"getM3",function(){if(null!=this.mat)return this.mat;var a=JU.M3.newM3(JS.PointGroup.getQuaternion(this.normalOrAxis,this.typeOrder).getMatrix());(0==this.type||2==this.type)&&a.mul(JS.PointGroup.mInv);this.cleanMatrix(a);return this.mat=a});d(a,"cleanMatrix",function(a){for(var f=0;3>f;f++)for(var e=0;3>e;e++)a.setElement(f,e,this.approx0(a.getElement(f,e)))},"JU.M3");d(a,"approx0",function(a){return 1E-15<a||-1E-15>a?a:0},"~N");m(a,"toString",
function(){return this.getLabel(!1)+" "+this.normalOrAxis})};b.axesMaxN=R(-1,[15,0,0,1,3,1,10,0,1,0,6,0,1,0,0,0,15,10,6,6,10,0,1]);b.nUnique=R(-1,[1,0,0,2,2,4,2,0,4,0,4,0,4,0,0,0,1,2,2,4,2,0,4]);b.maxAxis=JS.PointGroup.axesMaxN.length;b.typeNames=Q(-1,["plane","proper axis","improper axis","center of inversion"]);b.mInv=JU.M3.newA9(H(-1,[-1,0,0,0,-1,0,0,0,-1]));b.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("\\|");
b.htSFToHM=null});Y("JS");ba(["JS.HallInfo","java.util.Hashtable"],"JS.SpaceGroup","java.util.Arrays JU.AU $.Lst $.M4 $.P3 $.PT $.SB JS.SymmetryOperation $.UnitCell JU.Logger".split(" "),function(){var b=P(function(){this.xyzList=this.allOperations=this.finalOperations=this.matrixOperations=null;this.axisChoice=this.uniqueAxis="\x00";this.jmolId=this.itaNumber=null;this.operationCount=0;this.latticeOp=-1;this.isBio=!1;this.latticeType="P";this.canonicalCLEG=this.clegId=this.itaIndex=this.itaTransform=
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;O(this,arguments)},JS,"SpaceGroup",null,[Cloneable,JS.HallInfo.HallReceiver]);
K(b,function(a,c,f){++JS.SpaceGroup.sgIndex;0>a&&(a=JS.SpaceGroup.sgIndex);this.index=a;this.init(f&&null==c);f&&null!=c&&this.buildSelf(c)},"~N,~S,~B");d(b,"setFrom",function(a,c){c?(this.setName(a.itaNumber.equals("0")?this.clegId:"HM:"+a.hmSymbolFull+" #"+a.clegId),this.referenceIndex=-2):(this.setName(a.getName()),this.referenceIndex=a.index);this.setClegId(a.getClegId());this.itaIndex=a.itaIndex;this.crystalClass=a.crystalClass;this.hallSymbol=a.hallSymbol;this.hmSymbol=a.hmSymbol;this.hmSymbolAbbr=
a.hmSymbolAbbr;this.hmSymbolAbbrShort=a.hmSymbolAbbrShort;this.hmSymbolAlternative=a.hmSymbolAlternative;this.hmSymbolExt=a.hmSymbolExt;this.hmSymbolFull=a.hmSymbolFull;this.itaNumber=a.itaNumber;this.itaTransform=a.itaTransform;this.jmolIdExt=this.jmolId=null;this.latticeType=a.latticeType;this.strName=this.displayName=null;return this},"JS.SpaceGroup,~B");b.getNull=d(b,"getNull",function(a,c,f){a=new JS.SpaceGroup(-1,null,a);a.doNormalize=c;f&&a.setFinalOperations();return a},"~B,~B,~B");d(b,"init",
function(a){this.xyzList=new java.util.Hashtable;this.operationCount=0;a&&this.addSymmetry("x,y,z",0,!1)},"~B");b.createSpaceGroup=d(b,"createSpaceGroup",function(a,c,f,e){var b=null;0<=a?b=JS.SpaceGroup.SG[a]:(b=X(f,"JU.Lst")?JS.SpaceGroup.createSGFromList(c,f):JS.SpaceGroup.determineSpaceGroupNA(c,f),null==b&&(b=JS.SpaceGroup.createSpaceGroupN(0>=e?c:"x1,x2,x3,x4,x5,x6,x7,x8,x9".substring(0,3*e+8),!0)));null!=b&&b.generateAllOperators(null);return b},"~N,~S,~O,~N");d(b,"cloneInfoTo",function(a){try{var c=
this.clone();c.matrixOperations=a.matrixOperations;c.finalOperations=a.finalOperations;c.xyzList=a.xyzList;return c}catch(f){if(I(f,"CloneNotSupportedException"))return null;throw f;}},"JS.SpaceGroup");d(b,"getItaIndex",function(){return null!=this.itaIndex&&!"--".equals(this.itaIndex)?this.itaIndex:!"0".equals(this.itaNumber)?this.itaNumber:!"--".equals(this.hallSymbol)?"["+this.hallSymbol+"]":"?"});d(b,"getIndex",function(){return 0<=this.referenceIndex?this.referenceIndex:this.index});d(b,"setClegId",
function(a){this.clegId=a;this.canonicalCLEG=JS.SpaceGroup.canonicalizeCleg(a)},"~S");d(b,"getClegId",function(){return this.clegId});b.createSGFromList=d(b,"createSGFromList",function(a,c){var f=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0);f.doNormalize=!1;f.setName(a);for(var e=c.size(),b=0;b<e;b++){var g=c.get(b);if(X(g,"JS.SymmetryOperation")){var d=f.addOp(g,g.xyz,!1);f.matrixOperations[d].setTimeReversal(g.timeReversal)}else f.addSymmetrySM("xyz matrix:"+g,g)}e=f.getReferenceSpaceGroup();null!=
e&&(f=e);return f},"~S,JU.Lst");d(b,"addSymmetry",function(a,c,f){a=a.toLowerCase();return 0>a.indexOf("[[")&&0>a.indexOf("x4")&&0>a.indexOf(";")&&(0>a.indexOf("x")||0>a.indexOf("y")||0>a.indexOf("z"))?-1:this.addOperation(a,c,f)},"~S,~N,~B");d(b,"setFinalOperations",function(){this.setFinalOperationsForAtoms(3,null,0,0,!1)});d(b,"setFinalOperationsForAtoms",function(a,c,f,e,b){if(null==this.hallInfo&&0!=this.latticeParameter){var g=new JS.HallInfo(JS.HallInfo.getHallLatticeEquivalent(this.latticeParameter));
this.generateAllOperators(g)}this.finalOperations=null;this.isBio=0<=this.name.indexOf("bio");!this.isBio&&(this.index>=JS.SpaceGroup.SG.length&&0>this.name.indexOf("SSG:")&&0>this.name.indexOf("[subsystem"))&&(g=this.getReferenceSpaceGroup(),null!=g&&g!==this&&this.setFrom(g,!1));0==this.operationCount&&this.addOperation("x,y,z",1,!1);this.finalOperations=Array(this.operationCount);var g=null,d=b&&0<e&&null!=c;if(d){g=this.finalOperations[0]=new JS.SymmetryOperation(this.matrixOperations[0],0,!0);
null==g.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(a,g,c,f,e);var h=c[f],j=JU.P3.newP(h);g.rotTrans(j);if(1E-4<j.distance(h))for(var l=0;l<e;l++)h=c[f+l],j.setT(h),g.rotTrans(j),h.setT(j);b||(g=null)}for(l=0;l<this.operationCount;l++){if(0<l||null==g)g=this.finalOperations[l]=new JS.SymmetryOperation(this.matrixOperations[l],0,b);d&&null==g.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(a,g,c,f,e);g.getCentering()}},"~N,~A,~N,~N,~B");b.newHallInfo=d(b,"newHallInfo",function(a){a.startsWith("Hall:")&&
(a=a.substring(5).trim());return new JS.HallInfo(a)},"~S");d(b,"getOperationCount",function(){null==this.finalOperations&&this.setFinalOperations();return this.finalOperations.length});d(b,"getOperation",function(a){return this.finalOperations[a]},"~N");d(b,"getAdditionalOperationsCount",function(){null==this.finalOperations&&this.setFinalOperations();null==this.allOperations&&(this.allOperations=JS.SymmetryOperation.getAdditionalOperations(this.finalOperations));return this.allOperations.length-
this.getOperationCount()});d(b,"getAdditionalOperations",function(){this.getAdditionalOperationsCount();return this.allOperations});d(b,"getAllOperation",function(a){return this.allOperations[a]},"~N");d(b,"getXyz",function(a,c){return null==this.finalOperations?this.matrixOperations[a].getXyz(c):this.finalOperations[a].getXyz(c)},"~N,~B");b.findSpaceGroupFromXYZ=d(b,"findSpaceGroupFromXYZ",function(a){var c=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0);c.doNormalize=!1;a=a.$plit(";");for(var f=0,
e=a.length;f<e;f++){var b=new JS.SymmetryOperation(null,f,!1);b.setMatrixFromXYZ(a[f],0,!1);c.addOp(b,a[f],!1)}return JS.SpaceGroup.findReferenceSpaceGroup(c.operationCount,c.getCanonicalSeitzList(),null)},"~S");b.getInfo=d(b,"getInfo",function(a,c,f,e,b){try{if(null!=a&&a.index>=JS.SpaceGroup.SG.length){var g=JS.SpaceGroup.findReferenceSpaceGroup(a.operationCount,a.getCanonicalSeitzList(),a.clegId);null!=g&&(a=g)}if(null!=f){if(null==a){0<=c.indexOf("[")&&(c=c.substring(0,c.indexOf("[")).trim());
if(c.equals("unspecified!"))return"no space group identified in file";a=JS.SpaceGroup.determineSpaceGroupNA(c,f)}}else{if(c.equalsIgnoreCase("ALL"))return JS.SpaceGroup.dumpAll(e);if(c.equalsIgnoreCase("MAP"))return JS.SpaceGroup.dumpAll(!0);if(c.equalsIgnoreCase("ALLSEITZ"))return JS.SpaceGroup.dumpAllSeitz();a=JS.SpaceGroup.determineSpaceGroupN(c)}if(null==a){var d=JS.SpaceGroup.createSpaceGroupN(c,!0);null!=d&&(d=JS.SpaceGroup.findReferenceSpaceGroup(d.operationCount,d.getCanonicalSeitzList(),
d.clegId));null!=d&&(a=d)}if(null!=a){if(e)return a.dumpInfoObj();for(var h=new JU.SB;null!=a;){h.append(a.dumpInfo());if(a.index>=JS.SpaceGroup.SG.length||!b)break;a=JS.SpaceGroup.determineSpaceGroupNS(c,a)}return h.toString()}return e?null:"?"}catch(j){if(I(j,Exception))return"?";throw j;}},"JS.SpaceGroup,~S,~A,~B,~B");d(b,"dumpInfo",function(){var a=this.dumpCanonicalSeitzList();if(X(a,"JS.SpaceGroup"))return a.dumpInfo();a=(new JU.SB).append("\nHermann-Mauguin symbol: ");null==this.hmSymbol||
null==this.hmSymbolExt?a.append("?"):a.append(this.hmSymbol).append(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:"");null!=this.itaNumber&&a.append("\ninternational table number: ").append(this.itaNumber).append(null!=this.itaTransform?":"+this.itaTransform:"").append("\ncrystal class: "+this.crystalClass);null!=this.jmolId&&a.append("\nJmol_ID: ").append(this.jmolId).append(" ("+this.itaIndex+")");null!=this.clegId&&a.append("\nCLEG: "+this.clegId);a.append("\n\n").append(null==this.hallInfo?"Hall symbol unknown":
JU.Logger.debugging?this.hallInfo.dumpInfo():"");a.append("\n\n").appendI(this.operationCount).append(" operators").append(null!=this.hallInfo&&!this.hallInfo.getHallSymbol().equals("--")?" from Hall symbol "+this.hallInfo.getHallSymbol()+"  #"+this.jmolId:"").append(": ");for(var c=0;c<this.operationCount;c++)a.append("\n").append(this.matrixOperations[c].xyz);return a.toString()});d(b,"dumpInfoObj",function(){var a=this.dumpCanonicalSeitzList();if(X(a,"JS.SpaceGroup"))return a.dumpInfoObj();a=new java.util.Hashtable;
if(null!=this.itaNumber&&!this.itaNumber.equals("0")){var c=null==this.hmSymbol||null==this.hmSymbolExt?"?":this.hmSymbol+(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:"");a.put("HermannMauguinSymbol",c);a.put("hm",c);a.put("ita",Integer.$valueOf(JU.PT.parseInt(this.itaNumber)));a.put("itaIndex",null==this.itaIndex?"n/a":this.itaIndex);a.put("clegId",null==this.itaIndex?"n/a":this.clegId);null!=this.jmolId&&a.put("jmolId",this.jmolId);a.put("crystalClass",this.crystalClass);a.put("operationCount",
Integer.$valueOf(this.operationCount))}for(var c=new JU.Lst,f=0;f<this.operationCount;f++)c.addLast(this.matrixOperations[f].xyz);a.put("operationsXYZ",c);null!=this.hallInfo&&null!=this.hallInfo.getHallSymbol()&&a.put("HallSymbol",this.hallInfo.getHallSymbol());null!=this.hallSymbolAlt&&a.put("HallSymbolAlt",this.hallSymbolAlt);return a});d(b,"getName",function(){return this.name});d(b,"getShelxLATTDesignation",function(){return JS.HallInfo.getLatticeDesignation(this.latticeParameter)});d(b,"setLatticeParam",
function(a){this.latticeParameter=a;10<a&&(this.latticeParameter=-JS.HallInfo.getLatticeIndexFromCode(a))},"~N");d(b,"dumpCanonicalSeitzList",function(){null!=this.nHallOperators&&(this.hallInfo=new JS.HallInfo(this.hallSymbol),this.generateAllOperators(null));var a=this.getCanonicalSeitzList();if(this.index>=JS.SpaceGroup.SG.length){var c=JS.SpaceGroup.findReferenceSpaceGroup(this.operationCount,a,this.clegId);if(null!=c)return c.getCanonicalSeitzList()}return(0<=this.index&&this.index<JS.SpaceGroup.SG.length?
this.hallSymbol+" = ":"")+a});d(b,"getReferenceSpaceGroup",function(){if(-2==this.referenceIndex||0<=this.index&&this.index<JS.SpaceGroup.SG.length||0<this.modDim||null==this.matrixOperations||0==this.matrixOperations.length||0!=this.matrixOperations[0].timeReversal)return this;null!=this.finalOperations&&this.setFinalOperations();var a=this.getCanonicalSeitzList();return null==a?null:JS.SpaceGroup.findReferenceSpaceGroup(this.operationCount,a,this.clegId)});d(b,"getCanonicalSeitzList",function(){return JS.SpaceGroup.getCanonicalSeitzForOperations(this.matrixOperations,
this.operationCount)});b.getCanonicalSeitzForOperations=d(b,"getCanonicalSeitzForOperations",function(a,c){for(var f=Array(c),e=0;e<c;e++)f[e]=JS.SymmetryOperation.dumpSeitz(a[e],!0);java.util.Arrays.sort(f,0,c);for(var b=(new JU.SB).append("\n["),e=0;e<c;e++)b.append(f[e].$replace("\t"," ").$replace("\n"," ")).append("; ");b.append("]");return b.toString()},"~A,~N");b.findReferenceSpaceGroup=d(b,"findReferenceSpaceGroup",function(a,c,f){a=JS.SpaceGroup.htByOpCount.get(Integer.$valueOf(a));if(null!=
a)for(var e=0,b=a.size();e<b;e++){var g=a.get(e);if((null==g.clegId||null==f||f.equals("0:a,b,c")||g.clegId.equals(f))&&0<=JS.SpaceGroup.getCanonicalSeitz(g.index).indexOf(c))return JS.SpaceGroup.SG[g.index]}return null},"~N,~S,~S");b.dumpAll=d(b,"dumpAll",function(a){if(a){var c=new JU.Lst;for(a=0;a<JS.SpaceGroup.SG.length;a++)c.addLast(JS.SpaceGroup.SG[a].dumpInfoObj());return c}c=new JU.SB;for(a=0;a<JS.SpaceGroup.SG.length;a++)c.append("\n----------------------\n"+JS.SpaceGroup.SG[a].dumpInfo());
return c.toString()},"~B");b.dumpAllSeitz=d(b,"dumpAllSeitz",function(){for(var a=new JU.SB,c=0;c<JS.SpaceGroup.SG.length;c++)a.append("\n").appendO(JS.SpaceGroup.getCanonicalSeitz(c));return a.toString()});b.getCanonicalSeitz=d(b,"getCanonicalSeitz",function(a){null==JS.SpaceGroup.canonicalSeitzList&&(JS.SpaceGroup.canonicalSeitzList=Array(JS.SpaceGroup.SG.length));var c=JS.SpaceGroup.canonicalSeitzList[a];return null==c?JS.SpaceGroup.canonicalSeitzList[a]=JS.SpaceGroup.SG[a].dumpCanonicalSeitzList().toString():
c},"~N");d(b,"setLattice",function(a,c){this.latticeParameter=JS.HallInfo.getLatticeIndex(a);c||(this.latticeParameter=-this.latticeParameter)},"~S,~B");b.createSpaceGroupN=d(b,"createSpaceGroupN",function(a){a=a.trim();var c=JS.SpaceGroup.determineSpaceGroupN(a),f;null==c&&(f=new JS.HallInfo(a),f.isGenerated()?(c=new JS.SpaceGroup(-1,"0;--;--;0;--;--;"+a,!0),c.hallInfo=f,c.hallSymbol=f.getHallSymbol(),c.setName("["+c.hallSymbol+"]"),c.jmolId=null):0<=a.indexOf(",")&&(c=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",
!0),c.doNormalize=!1,c.generateOperatorsFromXyzInfo(a)));if(null!=c)try{return c.generateAllOperators(null),c}catch(e){if(!I(e,Exception))throw e;}return null},"~S,~B");d(b,"addOperation",function(a,c,f){if(null==a||3>a.length)return this.init(!1),-1;a=JU.PT.rep(a," ","");var e="="==a.charAt(0);e&&(a=a.substring(1));var b=this.checkXYZlist(a);if(0<=b)return b;if(a.startsWith("x1,x2,x3,x4")&&0==this.modDim)this.xyzList.clear(),this.operationCount=0,this.modDim=JU.PT.parseInt(a.substring(a.lastIndexOf("x")+
1))-3;else if(0<=a.indexOf("m")&&(a=JU.PT.rep(a,"+m","m"),a.equals("x,y,z,m")||a.equals("x,y,z(mx,my,mz)")))this.xyzList.clear(),this.operationCount=0;c=new JS.SymmetryOperation(null,c,this.doNormalize);if(!c.setMatrixFromXYZ(a,this.modDim,f))return JU.Logger.error("couldn't interpret symmetry operation: "+a),-1;"!"==a.charAt(0)&&(a=a.substring(a.lastIndexOf("!")+1));return this.addOp(c,a,e)},"~S,~N,~B");d(b,"checkXYZlist",function(a){return this.xyzList.containsKey(a)?this.xyzList.get(a).intValue():
-1},"~S");d(b,"addOp",function(a,c,f){var e=a.xyz;if(!f){f=this.checkXYZlist(e);if(0<=f)return f;0>this.latticeOp&&(f=JU.PT.replaceAllCharacters(0<this.modDim?JS.SymmetryOperation.replaceXn(e,this.modDim+3):e,"+123/",""),this.xyzList.containsKey(f+"!")?this.latticeOp=this.operationCount:this.xyzList.put(f+"!",Integer.$valueOf(this.operationCount)));this.xyzList.put(e,Integer.$valueOf(this.operationCount))}e.equals(c)||this.xyzList.put(c,Integer.$valueOf(this.operationCount));null==this.matrixOperations&&
(this.matrixOperations=Array(4));this.operationCount==this.matrixOperations.length&&(this.matrixOperations=JU.AU.arrayCopyObject(this.matrixOperations,2*this.operationCount));this.matrixOperations[this.operationCount++]=a;a.number=this.operationCount;0!=a.timeReversal&&(this.matrixOperations[0].timeReversal=1);JU.Logger.debugging&&JU.Logger.debug("\naddOperation "+this.operationCount+a.dumpInfo());return this.operationCount-1},"JS.SymmetryOperation,~S,~B");d(b,"generateOperatorsFromXyzInfo",function(a){this.init(!0);
a=JU.PT.split(a.toLowerCase(),";");for(var c=0;c<a.length;c++)this.addSymmetry(a[c],0,!1)},"~S");d(b,"generateAllOperators",function(a){if(null==a){if(0<this.operationCount)return;if(null==this.hallSymbol||this.hallSymbol.endsWith("?")){this.checkHallOperators();return}this.matrixOperations=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);
a=this.hallInfo}a.generateAllOperators(this);null==this.hmSymbol&&(this.hmSymbol="--");this.hmSymbol.equals("--")&&(this.hallSymbol=a.getHallSymbol(),this.nHallOperators=Integer.$valueOf(this.operationCount));null!=this.nHallOperators&&this.operationCount!=this.nHallOperators.intValue()&&JU.Logger.error("Operator mismatch "+this.operationCount+" for "+this);a=a.getLatticeCode();switch(a.charCodeAt(0)){case 0:case 83:case 84:case 80:this.latticeType="P";break;default:this.latticeType=a}},"JS.HallInfo");
d(b,"addSymmetrySM",function(a,c){var f=this.addOperation(a,0,!1);0<=f&&this.matrixOperations[f].setM4(c);return f},"~S,JU.M4");b.determineSpaceGroupN=d(b,"determineSpaceGroupN",function(a){return JS.SpaceGroup.determineSpaceGroup(a,0,0,0,0,0,0,-1)},"~S");b.determineSpaceGroupNS=d(b,"determineSpaceGroupNS",function(a,c){return JS.SpaceGroup.determineSpaceGroup(a,0,0,0,0,0,0,c.index)},"~S,JS.SpaceGroup");b.determineSpaceGroupNA=d(b,"determineSpaceGroupNA",function(a,c){return null==c?JS.SpaceGroup.determineSpaceGroup(a,
0,0,0,0,0,0,-1):JS.SpaceGroup.determineSpaceGroup(a,c[0],c[1],c[2],c[3],c[4],c[5],-1)},"~S,~A");b.determineSpaceGroup=d(b,"determineSpaceGroup",function(a,c,f,e,b,g,d,h){a=JS.SpaceGroup.determineSpaceGroupIndex(a,c,f,e,b,g,d,h);return 0<=a?JS.SpaceGroup.SG[a]:null},"~S,~N,~N,~N,~N,~N,~N,~N");b.isXYZList=d(b,"isXYZList",function(a){return null!=a&&0<=a.indexOf(",")&&0>a.indexOf("(")&&0>a.indexOf(":")},"~S");b.determineSpaceGroupIndex=d(b,"determineSpaceGroupIndex",function(a,c,f,e,b,g,d,h){if(JS.SpaceGroup.isXYZList(a))return-1;
0>h&&(h=JS.SpaceGroup.SG.length);a=a.trim().toLowerCase();a.startsWith("bilbao:")&&(a=a.substring(7));var j;j=a.indexOf("hall:");0<j&&(a=a.substring(j));var l=0<=a.indexOf(",")?6:a.startsWith("ita/")?4:a.startsWith("hall:")?5:a.startsWith("hm:")?3:0;switch(l){case 6:a=JS.SpaceGroup.canonicalizeCleg(a);break;case 3:case 5:case 4:a=a.substring(l);break;case 0:a.contains("[")?(l=5,a=a.substring(0,a.indexOf("[")).trim()):0<a.indexOf(".")&&(l=4)}switch(l){case 6:for(j=0;j<h;j++)if(a.equals(JS.SpaceGroup.SG[j].canonicalCLEG))return j;
return-1;case 5:for(j=0;j<h;j++)if(JS.SpaceGroup.SG[j].hallSymbol.equalsIgnoreCase(a))return j;return-1}var n=a,q=!1;4!=l&&(a=a.$replace("_"," "),2<=a.length&&(j=0==a.indexOf("-")?2:1,j<a.length&&" "!=a.charAt(j)&&(a=a.substring(0,j)+" "+a.substring(j)),a=JS.SpaceGroup.toCap(a,2)));var p="";if(0<(j=a.indexOf(":")))p=a.substring(j+1),a=a.substring(0,j).trim(),q=0<p.length;4!=l&&(5!=l&&!q&&JU.PT.isOneOf(a,JS.SpaceGroup.ambiguousHMNames))&&(p="?",q=!0);var v=JU.PT.replaceAllCharacters(a," ()",""),r;
switch(l){case 4:if(q)for(j=0;j<h;j++){if(n.equalsIgnoreCase(JS.SpaceGroup.SG[j].itaIndex))return j}else for(j=0;j<h;j++)if(a.equalsIgnoreCase(JS.SpaceGroup.SG[j].itaIndex))return j;break;case 6:case 5:break;default:case 3:if(3!=l)for(j=0;j<h;j++)if(JS.SpaceGroup.SG[j].jmolId.equalsIgnoreCase(n))return j;for(j=0;j<h;j++)if(JS.SpaceGroup.SG[j].hmSymbolFull.equalsIgnoreCase(n))return j;for(j=0;j<h;j++)if(null!=(r=JS.SpaceGroup.SG[j]).hmSymbolAlternative&&r.hmSymbolAlternative.equalsIgnoreCase(n))return j;
if(q){for(j=0;j<h;j++)if((r=JS.SpaceGroup.SG[j]).hmSymbolAbbr.equalsIgnoreCase(v)&&(r.hmSymbolExt.equalsIgnoreCase(p)||r.jmolIdExt.equalsIgnoreCase(p)))return j;for(j=0;j<h;j++)if((r=JS.SpaceGroup.SG[j]).hmSymbolAbbrShort.equalsIgnoreCase(v)&&(r.hmSymbolExt.equalsIgnoreCase(p)||r.jmolIdExt.equalsIgnoreCase(p)))return j}a=JS.SpaceGroup.determineUniqueAxis(c,f,e,b,g,d);if(!q||"?"==p.charAt(0))for(j=0;j<h;j++)if((r=JS.SpaceGroup.SG[j]).hmSymbolAbbr.equalsIgnoreCase(v)||r.hmSymbolAbbrShort.equalsIgnoreCase(v)||
r.itaNumber.equals(v))switch(r.ambiguityType.charCodeAt(0)){case 0:case 45:return j;case 97:if(r.uniqueAxis==a||"\x00"==a)return j;break;case 111:if(0==p.length){if(r.hmSymbolExt.equals("2"))return j}else if(r.hmSymbolExt.equalsIgnoreCase(p))return j;break;case 116:if(0==p.length){if("h"==r.axisChoice)return j}else if((r.axisChoice+"").equalsIgnoreCase(p))return j}}if(0==p.length)for(j=0;j<h;j++)if(JS.SpaceGroup.SG[j].itaNumber.equals(n))return j;return-1},"~S,~N,~N,~N,~N,~N,~N,~N");d(b,"setJmolCode",
function(a){this.jmolId=a;a=JU.PT.split(a,":");this.itaNumber=a[0];this.jmolIdExt=1==a.length?"":a[1];this.ambiguityType="\x00";0<this.jmolIdExt.length&&(a=this.jmolIdExt.charAt(0),this.jmolIdExt.equals("h")||this.jmolIdExt.equals("r")?(this.ambiguityType="t",this.axisChoice=this.jmolIdExt.charAt(0)):"1"==a||"2"==a?this.ambiguityType="o":2>=this.jmolIdExt.length||3==this.jmolIdExt.length&&"-"==a?(this.ambiguityType="a",this.uniqueAxis=this.jmolIdExt.charAt("-"==a?1:0)):this.jmolIdExt.contains("-")&&
(this.ambiguityType="-"))},"~S");b.determineUniqueAxis=d(b,"determineUniqueAxis",function(a,c,f,e,b,g){return a==c?c==f?"\x00":"c":c==f?"a":f==a?"b":e==b?b==g?"\x00":"c":b==g?"a":g==e?"b":"\x00"},"~N,~N,~N,~N,~N,~N");d(b,"buildSelf",function(a){a=JU.PT.split(a.toLowerCase(),";");this.jmolId=a[0].trim();this.setJmolCode(this.jmolId);var c=this.jmolId.endsWith("*");c&&(this.jmolId=this.jmolId.substring(0,this.jmolId.length-1));this.itaIndex=a[1].$replace("|",";");var f=a[2];this.itaTransform=0==f.length||
f.equals("--")?"a,b,c":f.equals("r")?"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":JU.PT.rep(f,"ab","a-b,a+b,c").$replace("|",";");this.setClegId(this.itaNumber+":"+this.itaTransform);0<a[3].length&&(this.nHallOperators=Integer.$valueOf(a[3]),f=JS.SpaceGroup.htByOpCount.get(this.nHallOperators),null==f&&JS.SpaceGroup.htByOpCount.put(this.nHallOperators,f=new JU.Lst),f.addLast(this));this.crystalClass=JS.SpaceGroup.toCap(JU.PT.split(a[4],"^")[0],1);f=a[5];f.endsWith("*")&&(f=f.substring(0,f.length-
1));this.setHMSymbol(f);"xyz".equals(a[6])?(a=this.hmSymbol,this.hallSymbol=""+this.latticeType+"?"):(this.hallSymbol=a[6],1<this.hallSymbol.length&&(this.hallSymbol=JS.SpaceGroup.toCap(this.hallSymbol,2)),c&&(this.hallSymbolAlt=this.hallSymbol,this.hallSymbol=JS.SpaceGroup.lastHallSymbol),a=this.itaNumber+this.hallSymbol,"0"!=this.itaNumber.charAt(0)&&a.equals(JS.SpaceGroup.lastInfo)&&(JS.SpaceGroup.ambiguousHMNames+=this.hmSymbol+";"));JS.SpaceGroup.lastHallSymbol=this.hallSymbol;JS.SpaceGroup.lastInfo=
a;this.name="HM:"+this.hmSymbolFull+" "+(null==this.hallSymbol||"?"===this.hallSymbol?"["+this.hallSymbol+"]":"")+" #"+this.itaIndex},"~S");d(b,"setHMSymbol",function(a){var c=a.indexOf("#");0<=c&&(a=a.substring(0,c).trim());this.hmSymbolFull=JS.SpaceGroup.toCap(a,1);this.latticeType=this.hmSymbolFull.charAt(0);a=JU.PT.split(this.hmSymbolFull,":");this.hmSymbol=a[0];this.hmSymbolExt=1==a.length?"":a[1];c=this.hmSymbol.indexOf(" -3");1<=c&&0<="admn".indexOf(this.hmSymbol.charAt(c-1))&&(this.hmSymbolAlternative=
(this.hmSymbol.substring(0,c)+" 3"+this.hmSymbol.substring(c+3)).toLowerCase());this.hmSymbolAbbr=JU.PT.rep(this.hmSymbol," ","");this.hmSymbolAbbrShort=3<this.hmSymbol.length?JU.PT.rep(this.hmSymbol," 1",""):this.hmSymbolAbbr;this.hmSymbolAbbrShort=JU.PT.rep(this.hmSymbolAbbrShort," ","")},"~S");b.toCap=d(b,"toCap",function(a,c){return a.substring(0,c).toUpperCase()+a.substring(c)},"~S,~N");d(b,"toString",function(){return this.asString()});d(b,"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});d(b,"getDisplayName",function(){if(null==this.displayName){var a=null;null==this.jmolId||"--".equals(this.hallSymbol)?(a="",null!=this.hmSymbolFull&&!"--".equals(this.hmSymbol)&&(a=this.hmSymbolFull)):this.jmolId.equals("0")||(a=this.hmSymbolFull);null==a?a="["+this.hallSymbol+"]":null!=this.getClegId()&&(a+=" #"+this.getClegId());a.endsWith("2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c")&&
(a=JU.PT.rep(a,"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c","r"));0<=a.indexOf("-- [--]")&&(a="");a.endsWith(":a,b,c")&&(a=a.substring(0,a.length-6));this.displayName=a}return this.displayName});b.getSpaceGroups=d(b,"getSpaceGroups",function(){if(null==JS.SpaceGroup.SG){var a=JS.SpaceGroup.STR_SG.length;JS.SpaceGroup.nameToGroup=new java.util.Hashtable;for(var c=Array(a),f=0;f<a;f++)c[f]=new JS.SpaceGroup(f,JS.SpaceGroup.STR_SG[f],!0),JS.SpaceGroup.nameToGroup.put(c[f].jmolId,c[f]);System.out.println("SpaceGroup - "+
a+" settings generated");JS.SpaceGroup.STR_SG=null;JS.SpaceGroup.SG=c}return JS.SpaceGroup.SG});d(b,"addLatticeVectors",function(a){if(0<=this.latticeOp||0==a.size())return!1;for(var c=this.latticeOp=this.operationCount,f=a.get(0).length==this.modDim+4,e=-2,b=0;b<a.size();b++){var g=a.get(b);f&&(e=y(g[this.modDim+3]),g=JU.AU.arrayCopyF(g,this.modDim+3));if(g.length>this.modDim+3)return!1;for(var d=0;d<c;d++){var h=new JS.SymmetryOperation(null,0,!0);h.modDim=this.modDim;var j=this.matrixOperations[d];
h.divisor=j.divisor;h.linearRotTrans=JU.AU.arrayCopyF(j.linearRotTrans,-1);h.setFromMatrix(g,!1);-2!=e&&h.setTimeReversal(j.timeReversal*e);h.xyzOriginal=h.xyz;this.addOp(h,h.xyz,!0)}}return!0},"JU.Lst");d(b,"getSiteMultiplicity",function(a,c){for(var f=this.finalOperations.length,e=new JU.Lst,b=f;0<=--b;){var g=JU.P3.newP(a);this.finalOperations[b].rotTrans(g);c.unitize(g);for(var d=e.size();0<=--d;){var h=e.get(d);if(1.96E-6>g.distanceSquared(h)){g=null;break}}null!=g&&e.addLast(g)}return A(f/e.size())},
"JU.P3,JS.UnitCell");d(b,"setName",function(a){this.name=a;null!=a&&a.startsWith("HM:")&&this.setHMSymbol(a.substring(3));this.strName=this.displayName=null},"~S");d(b,"getNameType",function(a,c){var f=null,f=a.equals("HM")?this.hmSymbol:a.equals("ITA")?this.itaNumber:a.equals("Hall")?this.hallSymbol:"?";if(null!=f)return f;null==this.info&&(this.info=JS.SpaceGroup.getInfo(this,this.hmSymbol,c.getUnitCellParams(),!0,!1));if("string"==typeof this.info)return null;f=this.info.get(a.equals("Hall")?"HallSymbol":
a.equals("ITA")?"ita":"HermannMauguinSymbol");return null==f?null:f.toString()},"~S,J.api.SymmetryInterface");b.getSpaceGroupFromJmolClegOrITA=d(b,"getSpaceGroupFromJmolClegOrITA",function(a){var c=JS.SpaceGroup.SG.length;if(0<=a.indexOf(":"))if(0<=a.indexOf(","))for(var f=0;f<c;f++){if(a.equals(JS.SpaceGroup.SG[f].clegId))return JS.SpaceGroup.SG[f]}else for(f=0;f<c;f++){if(a.equals(JS.SpaceGroup.SG[f].jmolId))return JS.SpaceGroup.SG[f]}else if(0<=a.indexOf("."))for(f=0;f<c;f++){if(a.equals(JS.SpaceGroup.SG[f].itaIndex))return JS.SpaceGroup.SG[f]}else for(f=
0;f<c;f++)if(a.equals(JS.SpaceGroup.SG[f].itaNumber))return JS.SpaceGroup.SG[f];return null},"~S");d(b,"checkHallOperators",function(){null!=this.nHallOperators&&this.nHallOperators.intValue()!=this.operationCount&&(null==this.hallInfo||this.hallInfo.isGenerated()?this.generateAllOperators(this.hallInfo):(this.init(!1),this.doNormalize=!0,JS.SpaceGroup.transformSpaceGroup(this,JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(this.itaNumber),null,this.itaTransform,null),this.hallInfo=null))});d(b,"getOpsCtr",
function(a){var c=JS.SpaceGroup.getNull(!0,!0,!1);JS.SpaceGroup.transformSpaceGroup(c,this,null,"!"+a,null);c.setFinalOperations();var f=JS.SpaceGroup.getNull(!0,!1,!1);JS.SpaceGroup.transformSpaceGroup(f,c,null,a,null);f.setFinalOperations();return f.finalOperations},"~S");b.getSpaceGroupFromIndex=d(b,"getSpaceGroupFromIndex",function(a){return null!=JS.SpaceGroup.SG&&0<=a&&a<JS.SpaceGroup.SG.length?JS.SpaceGroup.SG[a]:null},"~N");d(b,"setITATableNames",function(a,c,f,e){this.itaNumber=c;this.itaIndex=
null!=e?c+":"+e:0<=f.indexOf(".")?f:c+"."+f;this.itaTransform=e;this.setClegId(c+":"+e);this.strName=this.displayName=null;this.jmolId=a;null==a?(this.name=this.clegId,this.info=this.dumpInfoObj()):this.setJmolCode(a)},"~S,~S,~S,~S");b.transformCoords=d(b,"transformCoords",function(a,c,f,e,b,g){null==g&&(g=new JU.Lst);for(var d=0,h=a.size();d<h;d++){var j=JS.SymmetryOperation.transformStr(a.get(d),null,c,e,b,null,f,!0,!0);g.contains(j)||g.addLast(j)}return g},"JU.Lst,JU.M4,JU.P3,JU.M4,~A,JU.Lst");
b.getTransformRange=d(b,"getTransformRange",function(a){for(var c=H(2,3,0),f=H(4,0),e=0;3>e;e++){a.getRow(e,f);for(var b=0;3>b;b++){var g=f[b];0>g?c[0][e]+=-f[b]:0<g&&(c[1][e]+=f[b])}}a=!0;for(f=e=0;2>e;e++,f++)for(b=0;3>b;b++)g=A(Math.ceil(c[e][b])),g>f&&(a=!1),c[e][b]=0==e?-g:g;return a?null:c},"JU.M4");b.getTransformedCentering=d(b,"getTransformedCentering",function(a,c){var f=JU.M4.newM4(a);f.invert();var e=c.size(),b=new JU.P3,g=new JU.P3,d=JS.SpaceGroup.getTransformRange(a);if(null!=d)for(var h=
JS.SpaceGroup.addCentering(f,d,b,g,c,0);0<=--e&&3>h;)JS.SymmetryOperation.toPoint(c.remove(e),b),h=JS.SpaceGroup.addCentering(f,d,b,g,c,h);return f},"JU.M4,JU.Lst");b.addCentering=d(b,"addCentering",function(a,c,f,e,b,g){for(var d=y(c[0][0]);d<=c[1][0];d++)for(var h=y(c[0][1]);h<=c[1][1];h++)for(var j=y(c[0][2]);j<=c[1][2];j++)if(e.set(d,h,j),e.add(f),a.rotTrans(e),0!=e.length()%1){e.x%=1;e.y%=1;e.z%=1;var l=JS.SymmetryOperation.norm3(e);if(!l.equals("0,0,0")&&!b.contains(l)&&(b.addLast(l),3==++g))return 3}return g},
"JU.M4,~A,JU.P3,JU.P3,JU.Lst,~N");b.fillMoreData=d(b,"fillMoreData",function(a,c,f,e){var b=c.indexOf(":"),b=0>b?"a,b,c":c.substring(b+1),g=JS.UnitCell.toTrm(b,null),d=e.get("gp"),h=e.get("wpos"),j=h.get("cent");e=new JU.Lst;null!=j&&e.addAll(j);for(var l=e.size(),n=JS.SpaceGroup.getTransformedCentering(g,e),j=e.size(),q=h.get("pos"),h=new JU.Lst,p=new JU.M4,v=H(16,0),r=(j+1)/(l+1),l=0,m=q.size();l<m;l++){var x=q.get(l),u=new java.util.Hashtable;u.putAll(x);var t=x.get("coord");null!=t&&(t=JS.SpaceGroup.transformCoords(t,
n,null,p,v,null),u.put("coord",t));x=x.get("mult").intValue();u.put("mult",Integer.$valueOf(y(x*r)));h.addLast(u)}q=new JU.Lst;JS.SpaceGroup.transformCoords(d,n,null,p,v,q);if(0<j)for(l=0;l<j;l++)u=new JU.P3,JS.SpaceGroup.transformCoords(d,n,JS.SymmetryOperation.toPoint(e.get(l),u),p,v,q);null==a?(a=new java.util.Hashtable,a.put("sg",Integer.$valueOf(f)),a.put("trm",b),a.put("clegId",f+":"+b),a.put("det",Float.$valueOf(g.determinant3()))):a.remove("more");f=new java.util.Hashtable;0<j&&f.put("cent",
e);f.put("pos",h);a.put("wpos",f);f.put("gp",q);q=new JU.Lst;c=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(c);c=JS.SpaceGroup.transformSpaceGroup(null,c,d,b,new JU.M4);l=0;for(m=c.getOperationCount();l<m;l++)q.addLast(c.getOperation(l).xyz);a.put("gp",q);return a},"java.util.Map,~S,~N,java.util.Map");b.transformSpaceGroup=d(b,"transformSpaceGroup",function(a,c,f,e,b){if(null==f){c.setFinalOperations();f=new JU.Lst;for(var g=0,d=c.getOperationCount();g<d;g++)f.addLast(c.getXyz(g,!1))}f=JS.SpaceGroup.addTransformXYZList(a,
f,e,b,null==a||a.doNormalize);if(null==a)return JS.SpaceGroup.createITASpaceGroup(f,c);null==e?a.setFrom(c,!0):a.setITATableNames(a.jmolId,a.itaNumber,"1",e);return a},"JS.SpaceGroup,JS.SpaceGroup,JU.Lst,~S,JU.M4");b.createITASpaceGroup=d(b,"createITASpaceGroup",function(a,c){var f=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0);f.doNormalize=!1;for(var e=0,b=a.size();e<b;e++){var g=new JS.SymmetryOperation(null,e,!1),d=a.get(e);g.setMatrixFromXYZ(d,0,!1);f.addOp(g,d,!1)}null!=c&&f.setFrom(c,!0);return f},
"JU.Lst,JS.SpaceGroup");b.addTransformXYZList=d(b,"addTransformXYZList",function(a,c,f,e,b){var g=null,d=null,h=null,j=null,l=c.size();null!=f&&(f.equals("r")&&(f="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"),e=JS.UnitCell.toTrm(f,e),g=JU.M4.newM4(e),g.invert(),d=Math.round(e.determinant3()),1<d&&(j=JS.SpaceGroup.getTransformRange(e),l*=d),h=H(16,0),d=new JU.M4);f=JS.SpaceGroup.addTransformedOperations(a,c,e,g,d,h,null==a?new JU.Lst:null,null,b);if(null!=j)for(var n=new JU.P3,q=y(j[0][2]);q<=
j[1][2];q++)for(var p=y(j[0][1]);p<=j[1][1];p++)for(var m=y(j[0][0]);m<j[1][0];m++)if(!(0==m&&0==p&&0==q)&&(n.set(m,p,q),null!=JS.SpaceGroup.addTransformedOperations(a,c,e,g,d,h,f,n,b)&&f.size()==l))return f;return null==a?f:null},"JS.SpaceGroup,JU.Lst,~S,JU.M4,~B");b.addTransformedOperations=d(b,"addTransformedOperations",function(a,c,f,e,b,g,d,h,j){null!=a&&(a.latticeOp=0);for(var l=0,n=c.size();l<n;l++){var q=c.get(l);if(null!=f&&(0<l||null!=h))q=JS.SymmetryOperation.transformStr(q,f,e,b,g,h,null,
j,!1);null!=a?a.addOperation(q,0,!1):d.contains(q)||d.addLast(q)}return d},"JS.SpaceGroup,JU.Lst,JU.M4,JU.M4,JU.M4,~A,JU.Lst,JU.P3,~B");m(b,"getMatrixOperation",function(a){return this.matrixOperations[a]},"~N");m(b,"getMatrixOperationCount",function(){return this.operationCount});m(b,"addHallOperationCheckDuplicates",function(a){var c=JS.SymmetryOperation.getXYZFromMatrix(a,!0,!0,!1);if(0<=this.checkXYZlist(c))return!1;this.addSymmetrySM("!nohalf!"+c,a);return!0},"JU.M4");b.canonicalizeCleg=d(b,
"canonicalizeCleg",function(a){0>a.indexOf(":")?a+=":a,b,c;0,0,0":0<a.indexOf(",")&&0>a.indexOf(";")&&(a+=";0,0,0");return a},"~S");b.convertWyckoffHMCleg=d(b,"convertWyckoffHMCleg",function(a,c){if(null==JS.SpaceGroup.HMtoCleg){JS.SpaceGroup.HMtoCleg=new java.util.Hashtable;JS.SpaceGroup.ClegtoHM=new java.util.Hashtable;for(var f=JS.SpaceGroup.moreSettings.length;0<=--f;){var e=JS.SpaceGroup.moreSettings[f],b=JS.SpaceGroup.moreSettings[--f],b=JU.PT.rep(b," ","");JS.SpaceGroup.ClegtoHM.put(e,b);JS.SpaceGroup.HMtoCleg.put(b,
e)}}return null!=a?JS.SpaceGroup.HMtoCleg.get(JU.PT.rep(a," ","")):JS.SpaceGroup.ClegtoHM.get(c)},"~S,~S");b.canonicalSeitzList=null;b.sgIndex=-1;b.lastInfo=null;b.ambiguousHMNames="";b.lastHallSymbol="";b.SG=null;b.htByOpCount=new java.util.Hashtable;b.nameToGroup=null;b.nSG=0;b.STR_SG=Q(-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 -2yc{9:b1;9.1;;4;cs^4;c c;c 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b.HMtoCleg=null;b.ClegtoHM=null;JS.SpaceGroup.getSpaceGroups()});Y("JS");ba(["JU.P3"],"JS.SpaceGroupFinder","JU.BS $.Lst $.M4 $.PT JS.SpaceGroup $.Symmetry $.SymmetryOperation $.UnitCell JU.BSUtil JV.FileManager".split(" "),function(){var b=P(function(){this.atoms=this.cartesians=this.sg=this.uc=this.vwr=null;this.nAtoms=0;this.unitCellParams=this.xyzList=null;this.slop=0;this.asString=this.isSupercell=this.$checkSupercell=this.isUnknown=this.isAssign=this.isCalcOnly=!1;this.pTemp=this.scaling=this.oabc=
this.origin=this.targets=this.bsAtoms=this.bsPoints0=null;this.isg=0;sa("JS.SpaceGroupFinder.SGAtom")||JS.SpaceGroupFinder.$SpaceGroupFinder$SGAtom$();O(this,arguments)},JS,"SpaceGroupFinder",null);ca(b,function(){this.pTemp=new JU.P3});K(b,function(){});d(b,"findSpaceGroup",function(a,c,f,e,b,g,d,h){this.vwr=a;this.xyzList=f;this.unitCellParams=e;this.origin=b;this.oabc=g;this.uc=d;System.out.println(this.xyzList);this.isCalcOnly=0!=(h&16);this.isAssign=0!=(h&2);this.$checkSupercell=0!=(h&8);this.asString=
0!=(h&1);f=0!=(h&4);g=this.uc.getPrecision();this.slop=!Double.isNaN(g)?g:null!=e&&26<e.length?e[26]:1E-4;this.cartesians=a.ms.at;this.bsPoints0=new JU.BS;if(null==this.xyzList||this.isAssign)this.bsAtoms=JU.BSUtil.copy(c),this.nAtoms=this.bsAtoms.cardinality();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/");g=null!=this.xyzList&&!a&&(this.xyzList.startsWith("[")||this.xyzList.startsWith("Hall:"));
if(this.isAssign&&g||!g&&(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(g);if(null==this.sg)return null;this.sg.getName()}else if(null!=this.oabc||g){if(a=this.xyzList,null!=a&&(this.sg=JS.SpaceGroup.createSpaceGroupN(a,g)),this.isUnknown=null==this.sg,g&&!this.isUnknown)return this.sg.dumpInfoObj()}else if(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,e))&&null==(this.sg=JS.SpaceGroup.createSpaceGroupN(this.xyzList,!1)))return null;f=new JU.BS;a=this.sg.asString();null==this.oabc?(this.uc=JS.SpaceGroupFinder.setSpaceGroupAndUnitCell(this.sg,e,null,6==e.length),this.oabc=this.uc.getUnitCellVectors(),null!=b&&this.oabc[0].setT(b)):(this.uc=JS.SpaceGroupFinder.setSpaceGroupAndUnitCell(this.sg,
null,this.oabc,!1),this.uc.transformUnitCell(d.replaceTransformMatrix(null)))}else{e=this.findGroupByOperations();if(!this.isAssign||!X(e,"JS.SpaceGroup"))return e;this.sg=e;a=this.sg.asString();f=JU.BSUtil.copy(this.bsAtoms);for(e=this.targets.nextSetBit(0);0<=e;e=this.targets.nextSetBit(e+1))f.clear(this.atoms[e].index);e=f.cardinality();if(!this.isCalcOnly&&(c=a+(null==c||0==e?"":"\nbasis is "+e+" atom"+(1==e?"":"s")+": "+f),System.out.println("SpaceGroupFinder: "+c),this.asString))return c}c=
this.sg.dumpInfoObj();null!=this.uc&&!this.isCalcOnly&&System.out.println("unitcell is "+this.uc.getUnitCellInfo(!0));this.isAssign||(e=JU.BS.copy(this.bsPoints0),e.andNot(this.targets),this.dumpBasis(JS.SpaceGroupFinder.bsGroupOps[this.isg],e,this.bsPoints0));c.put("name",a);c.put("basis",f);this.isSupercell&&c.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);c.put("unitcell",this.oabc);this.isAssign&&c.put("sg",
this.sg);return c},"JV.Viewer,JU.BS,~S,~A,JU.T3,~A,J.api.SymmetryInterface,~N");d(b,"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});d(b,"setITA",function(a){var c=null,f=null,c=this.xyzList.lastIndexOf(":"),e=this.xyzList.indexOf(","),e=0<c&&e>c,b=null,g=0<c&&!e,d=null;e&&(d=this.uc.staticCleanTransform(this.xyzList.substring(c+1)),this.xyzList=this.xyzList.substring(0,
c),b=this.xyzList+":"+d,d.equals("a,b,c")&&(d=null,e=!1));c=this.xyzList.indexOf(".");if(0<c&&(e||g))this.xyzList=this.xyzList.substring(0,c),c=-1;var h=this.xyzList;!g&&(!a&&!e&&!(0<c)&&-2147483648!=JU.PT.parseInt(h))&&(this.xyzList+=".1");var j=null,j=this.xyzList;if(a){if(g=this.uc.getSpaceGroupInfoObj("nameToXYZList","Hall:"+this.xyzList,!1,!1),null==g)return null}else{c=e?d:j;this.sg=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(e?b:j);f=this.uc.getSpaceGroupJSON(this.vwr,"ITA",j,0);if(null==
f||"string"==typeof f)return null;if(g||e){a=f.get("its");if(null==a)return null;for(var f=null,b=0,l=a.size();b<l;b++)if(j=a.get(b),c.equals(j.get(e?"trm":"jmolId"))){f=j;break}if(null==f||!f.containsKey("jmolId")){if(g)return null;null!=f&&(d=f.get("trm"));e=!0;f=a.get(0)}else e=!1,d=null}else f.get("jmolId");g=f.get("gp")}if(null!=this.sg&&null==d)return this.sg=JS.SpaceGroup.createITASpaceGroup(g,this.sg);this.sg=JS.SpaceGroup.transformSpaceGroup(null,this.sg,g,e?d:null,e?new JU.M4:null);if(null==
this.sg)return null;this.sg.itaNumber.equals("0")&&(null==d?(f.get("trm"),f=f.get("hm"),this.sg.setHMSymbol(f)):this.sg.setITATableNames(null,h,null,d),System.out.println("SpaceGroupFinder: new setting: "+this.sg.asString()));return this.sg},"~B");d(b,"findGroupByOperations",function(){var a=new JU.BS,c=new JU.BS,f=0,e=0;try{this.isUnknown?null==JS.SpaceGroupFinder.bsOpGroups&&JS.SpaceGroupFinder.loadData(this.vwr,this):c.set(0);if(null!=this.xyzList){if(this.isUnknown){var b=this.getGroupsWithOps(this.xyzList,
this.unitCellParams,this.isAssign);if(!this.isAssign||null==b)return b;this.sg=b}null==this.oabc&&this.uc.setUnitCellFromParams(this.unitCellParams,!1,this.slop)}var g=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(c,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 d=0,h=this.bsAtoms.nextSetBit(0);0<=h;h=this.bsAtoms.nextSetBit(h+1),d++){var j=this.cartesians[h],l=j.getAtomicAndIsotopeNumber();(this.atoms[d]=ka(JS.SpaceGroupFinder.SGAtom,this,null,l,h,j.getAtomName(),j.getOccupancy100())).setT(this.toFractional(j,this.uc))}}var n=JU.BSUtil.newBitSet2(0,this.nAtoms);this.nAtoms=n.cardinality();g=this.uc;
if(0<this.nAtoms){for(h=n.nextSetBit(0);0<=h;h=n.nextSetBit(h+1))this.uc.unitize(this.atoms[h]);this.removeDuplicates(n);if(this.$checkSupercell&&(this.uc=this.checkSupercell(this.vwr,this.uc,n,1,this.scaling),this.uc=this.checkSupercell(this.vwr,this.uc,n,2,this.scaling),this.uc=this.checkSupercell(this.vwr,this.uc,n,3,this.scaling),this.isSupercell=this.uc!==g))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=n.cardinality();this.bsAtoms=new JU.BS;for(var q=Array(f),d=0,h=n.nextSetBit(0);0<=h;h=n.nextSetBit(h+1))j=this.atoms[h],q[d++]=j,this.isSupercell&&(j.setT(this.toFractional(this.cartesians[j.index],this.uc)),this.uc.unitize(j)),this.bsAtoms.set(this.atoms[h].index);this.atoms=q;this.nAtoms=f;n.clearAll();n.setBits(0,this.nAtoms);this.bsPoints0=JU.BS.copy(n);var p=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT),
m=JU.BS.newN(this.nAtoms);a.setBits(1,null==this.sg?JS.SpaceGroupFinder.OP_COUNT:this.sg.getOperationCount());0==this.nAtoms&&(c.clearBits(1,JS.SpaceGroupFinder.GROUP_COUNT),a.clearAll());var r=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT),s=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT);s.set(0);for(var b=!1,x=a.nextSetBit(1);0<x&&!c.isEmpty();x=a.nextSetBit(x+1)){var u=null==this.sg?JS.SpaceGroupFinder.getOp(x):this.sg.getOperation(x);null==this.sg&&(System.out.println("\nChecking operation "+x+" "+JS.SpaceGroupFinder.opXYZ[x]),
System.out.println("bsGroups = "+c),System.out.println("bsOps = "+a),e++);g=!0;n.clearAll();n.or(this.bsPoints0);m.clearAll();d=!0;for(h=n.nextSetBit(0);0<=h;h=n.nextSetBit(h+1)){n.clear(h);var t=this.findEquiv(this.uc,x,u,h,n,this.pTemp,!0);if(0>t&&null==this.sg){System.out.println("failed op "+x+" for atom "+h+" "+this.atoms[h].name+" "+this.atoms[h]+" looking for "+this.pTemp+"\n"+u);g=!1;break}0<=t&&h!=t&&(d=!1,m.set(t))}if(null==this.sg){var y=JS.SpaceGroupFinder.bsOpGroups[x];a.clear(x);s.set(x);
if(g){if(1==x&&(b=!0),this.targets.or(m),!d){c.and(y);p.setBits(1,JS.SpaceGroupFinder.OP_COUNT);for(h=c.nextSetBit(0);0<=h;h=c.nextSetBit(h+1))p.and(JS.SpaceGroupFinder.bsGroupOps[h]);r.or(p);a.andNot(p)}}else{c.andNot(y);p.clearAll();for(h=c.nextSetBit(0);0<=h;h=c.nextSetBit(h+1))p.or(JS.SpaceGroupFinder.bsGroupOps[h]);a.and(p)}}else this.targets.or(m)}null==this.sg&&(f=c.cardinality(),0==f&&(c.set(b?1:0),f=1,b&&!this.asString&&(r.clearAll(),r.set(1),s.clearAll(),this.targets.clearAll(),n.or(this.bsPoints0))),
this.isg=c.nextSetBit(0),1==f&&(0<this.isg&&(s.and(JS.SpaceGroupFinder.bsGroupOps[this.isg]),r.and(JS.SpaceGroupFinder.bsGroupOps[this.isg]),r.andNot(s),r.or(JS.SpaceGroupFinder.bsGroupOps[this.isg]),r.clear(0),n.or(this.bsPoints0),n.andNot(this.targets),this.checkBasis(this.uc,r,n,this.targets)||(this.isg=0)),0==this.isg&&this.targets.clearAll()))}catch(S){if(I(S,Exception))S.printStackTrace(),c.clearAll();else throw S;}if(null==this.sg){System.out.println("checked "+e+" operations; now "+f+" "+
c+" "+a);for(h=c.nextSetBit(0);0<=h;h=c.nextSetBit(h+1))System.out.println("SpaceGroupFinder found "+JS.SpaceGroup.nameToGroup.get(JS.SpaceGroupFinder.groupNames[h]));if(1!=f&&(this.isg=c.length()-1,0>this.isg))return null;this.sg=JS.SpaceGroup.nameToGroup.get(JU.PT.trim(JS.SpaceGroupFinder.groupNames[this.isg],"0"))}return this.sg});b.setSpaceGroupAndUnitCell=d(b,"setSpaceGroupAndUnitCell",function(a,c,f,e){var b=new JS.Symmetry;b.setSpaceGroupTo(a);null==f?(f=H(6,0),JS.UnitCell.createCompatibleUnitCell(a,
c,f,e)||(f=c),b.setUnitCellFromParams(f,!1,NaN)):b.getUnitCell(f,!1,"modelkit");return b},"JS.SpaceGroup,~A,~A,~B");d(b,"removeDuplicates",function(a){for(var c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1))for(var f=this.atoms[c],e=a.nextSetBit(0);e<c;e=a.nextSetBit(e+1)){var b=this.atoms[e];if(f.typeAndOcc==b.typeAndOcc&&1.96E-6>f.distanceSquared(b)){a.clear(c);break}}},"JU.BS");d(b,"dumpBasis",function(){},"JU.BS,JU.BS,JU.BS");d(b,"checkBasis",function(a,c,f,e){var b=c.cardinality();if(0==b)return!0;
var g=new JU.BS;g.or(f);System.out.println("finishing check for basis for "+b+" operations");for(b=c.nextSetBit(0);0<=b;b=c.nextSetBit(b+1)){g.or(f);for(var d=JS.SpaceGroupFinder.getOp(b),h=g.nextSetBit(0);0<=h;h=g.nextSetBit(h+1)){var j=this.findEquiv(a,-1,d,h,g,this.pTemp,!1);if(0>j)return!1;h!=j&&(j=Math.max(h,j),e.set(j),g.clear(j))}}return!0},"J.api.SymmetryInterface,JU.BS,JU.BS,JU.BS");d(b,"filterGroups",function(a,c){var f=!1,e=!1,b=!1,g=!1,d=!1,h=this.approx001(c[0]-c[1]),j=this.approx001(c[1]-
c[2]);90==c[3]?90==c[4]&&(h&&c[0]!=c[1]&&System.out.println("OHOH"),b=h&&this.approx001(c[5]-120),90==c[5]&&(d=h&&c[1]==c[2],e=!d&&h,f=!d&&!e)):h&&(j&&this.approx001(c[3]-c[4])&&this.approx001(c[4]-c[5]))&&(g=!0);a.setBits(0,2);for(j=h=2;;){j=JS.SpaceGroupFinder.scanTo(j,"16");if(!f&&!e&&!b&&!g&&!d)break;j=JS.SpaceGroupFinder.scanTo(j,"75");if(!e&&!b&&!g&&!d)break;j=JS.SpaceGroupFinder.scanTo(j,"143");if(!b&&!g&&!d)break;for(h=j;;j++){f=JS.SpaceGroupFinder.groupNames[j];if(0<=f.indexOf(":r")){if(!g)continue;
a.set(j)}if(f.startsWith("195")){if(g)return;break}}if(!d)break;a.setBits(2,h);h=j;j=JS.SpaceGroupFinder.GROUP_COUNT;break}a.setBits(h,j)},"JU.BS,~A");d(b,"approx001",function(a){return 0.001>Math.abs(a)},"~N");b.scanTo=d(b,"scanTo",function(a,c){c="000"+c;for(c=c.substring(c.length-3);!JS.SpaceGroupFinder.groupNames[a].startsWith(c);a++);return a},"~N,~S");d(b,"getGroupsWithOps",function(a,c,f){var b=new JU.BS;null==c?b.setBits(0,JS.SpaceGroupFinder.GROUP_COUNT):this.filterGroups(b,c);var d=null;
if(!JS.SpaceGroup.isXYZList(a)){d=JS.SpaceGroup.determineSpaceGroupNA(a,c);if(null==d)return null;d.checkHallOperators();c="00"+d.jmolId;var g=c.indexOf(":");c=c.substring((0>g?c.length:g)-3);for(g=0;g<JS.SpaceGroupFinder.GROUP_COUNT;g++)if(JS.SpaceGroupFinder.groupNames[g].equals(c))return b.get(g)?d:null;return null}for(var d=0>a.indexOf("&")||f,k=JU.PT.split(JU.PT.trim(a.trim().$replace("&",";"),";="),";"),h=k.length;0<=--h;){var j=k[h];if(null==j)return"?"+k[h]+"?";j=JS.SymmetryOperation.getJmolCanonicalXYZ(j);
for(g=JS.SpaceGroupFinder.opXYZ.length;0<=--g;){if(JS.SpaceGroupFinder.opXYZ[g].equals(j)){b.and(JS.SpaceGroupFinder.bsOpGroups[g]);break}0==g&&b.clearAll()}}if(b.isEmpty())return f?JS.SpaceGroup.createSpaceGroupN(a,!0):null;if(d){a=k.length;for(g=b.nextSetBit(0);0<=g;g=b.nextSetBit(g+1))if(JS.SpaceGroupFinder.bsGroupOps[g].cardinality()==a)return f?JS.SpaceGroup.createSpaceGroupN(JS.SpaceGroupFinder.groupNames[g],!0):JS.SpaceGroup.getInfo(null,JS.SpaceGroupFinder.groupNames[g],c,!0,!1);return null}c=
Array(b.cardinality());f=0;for(g=b.nextSetBit(0);0<=g;g=b.nextSetBit(g+1))c[f++]=JS.SpaceGroupFinder.groupNames[g];return c},"~S,~A,~B");d(b,"toFractional",function(a,c){this.pTemp.setT(a);c.toFractional(this.pTemp,!1);return this.pTemp},"JM.Atom,J.api.SymmetryInterface");b.getOp=d(b,"getOp",function(a){var c=JS.SpaceGroupFinder.ops[a];null==c&&(JS.SpaceGroupFinder.ops[a]=c=new JS.SymmetryOperation(null,a,!1),c.setMatrixFromXYZ(JS.SpaceGroupFinder.opXYZ[a],0,!1),c.doFinalize());return c},"~N");d(b,
"checkSupercell",function(a,c,f,b,d){if(f.isEmpty())return c;for(var g=2147483647,k=-2147483648,h=R(101,0),j=f.cardinality(),l=f.nextSetBit(0);0<=l;l=f.nextSetBit(l+1))for(var n=this.atoms[l],q=n.typeAndOcc,p,m,r=f.nextSetBit(0);0<=r;r=f.nextSetBit(r+1))if(!(r==l||(p=this.atoms[r]).typeAndOcc!=q)){this.pTemp.sub2(p,n);switch(b){case 1:if(this.approx0(m=this.pTemp.x)||!this.approx0(this.pTemp.y)||!this.approx0(this.pTemp.z))continue;break;case 2:if(this.approx0(m=this.pTemp.y)||!this.approx0(this.pTemp.x)||
!this.approx0(this.pTemp.z))continue;break;default:case 3:if(this.approx0(m=this.pTemp.z)||!this.approx0(this.pTemp.x)||!this.approx0(this.pTemp.y))continue}a=this.approxInt(1/m);0==a||(A(j/a)!=1*j/a||100<a)||(a>k&&(k=a),a<g&&(g=a),h[a]++)}for(a=k;a>=g&&!(0<h[a]&&h[a]==A((a-1)*j/a));)--a;if(a<g)return c;p=c.getUnitCellVectors();p[b].scale(1/a);switch(b){case 1:d.x=a;break;case 2:d.y=a;break;case 3:d.z=a}(c=new JS.Symmetry).getUnitCell(p,!1,"scaled");m=0;for(l=f.nextSetBit(0);0<=l;l=f.nextSetBit(l+
1)){switch(b){case 1:m=this.approxInt(a*this.atoms[l].x);break;case 2:m=this.approxInt(a*this.atoms[l].y);break;case 3:m=this.approxInt(a*this.atoms[l].z)}0!=m&&(this.atoms[l]=null,f.clear(l))}f.cardinality();return c},"JV.Viewer,JS.Symmetry,JU.BS,~N,JU.P3");d(b,"approx0",function(a){return Math.abs(a)<this.slop},"~N");d(b,"approxInt",function(a){var c=y(a+this.slop);return this.approx0(a-c)?c:0},"~N");d(b,"findEquiv",function(a,c,f,b,d,g,k){c=this.atoms[b];g.setT(c);f.rotTrans(g);a.unitize(g);if(0==
g.distanceSquared(c))return b;a=c.typeAndOcc;for(f=this.nAtoms;0<=--f;)if(c=this.atoms[f],c.typeAndOcc==a){var h=c.distance(g);if(1.96E-6>h*h||1.96E-6>(1-h)*(1-h)&&this.latticeShift(g,c))return k&&(f=Math.max(b,f),b!=f&&d.clear(f)),f}return-1},"J.api.SymmetryInterface,~N,JS.SymmetryOperation,~N,JU.BS,JU.P3,~B");d(b,"latticeShift",function(a,c){return this.approx0(Math.abs(a.x-c.x)-1)||this.approx0(Math.abs(a.y-c.y)-1)||this.approx0(Math.abs(a.z-c.z)-1)},"JU.P3,JU.P3");b.main=d(b,"main",function(){JS.SpaceGroupFinder.loadData(null,
new JS.SpaceGroupFinder)&&System.out.println("OK")},"~A");b.loadData=d(b,"loadData",function(a,c){try{JS.SpaceGroupFinder.groupNames=JS.SpaceGroupFinder.getList(a,c,null,"sggroups_ordered.txt");JS.SpaceGroupFinder.GROUP_COUNT=JS.SpaceGroupFinder.groupNames.length;JS.SpaceGroupFinder.opXYZ=JS.SpaceGroupFinder.getList(a,c,null,"sgops_ordered.txt");JS.SpaceGroupFinder.OP_COUNT=JS.SpaceGroupFinder.opXYZ.length;var f=JS.SpaceGroupFinder.getList(a,c,Array(JS.SpaceGroupFinder.OP_COUNT),"sgmap.txt");JS.SpaceGroupFinder.bsGroupOps=
Array(JS.SpaceGroupFinder.GROUP_COUNT);JS.SpaceGroupFinder.bsOpGroups=Array(JS.SpaceGroupFinder.OP_COUNT);for(var b=0;b<JS.SpaceGroupFinder.GROUP_COUNT;b++)JS.SpaceGroupFinder.bsGroupOps[b]=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT);for(var d=0;d<JS.SpaceGroupFinder.OP_COUNT;d++){var g=f[d],k=g.length;JS.SpaceGroupFinder.bsOpGroups[d]=JU.BS.newN(JS.SpaceGroupFinder.GROUP_COUNT);for(b=0;b<k;b++)"1"==g.charAt(b)&&(JS.SpaceGroupFinder.bsGroupOps[b].set(d),JS.SpaceGroupFinder.bsOpGroups[d].set(b))}JS.SpaceGroupFinder.ops=
Array(JS.SpaceGroupFinder.OP_COUNT);return!0}catch(h){if(I(h,Exception))return h.printStackTrace(),!1;throw h;}finally{if(null!=JS.SpaceGroupFinder.rdr)try{JS.SpaceGroupFinder.rdr.close()}catch(j){if(!I(j,"java.io.IOException"))throw j;}}},"JV.Viewer,~O");b.getList=d(b,"getList",function(a,c,f,b){JS.SpaceGroupFinder.rdr=JV.FileManager.getBufferedReaderForResource(a,c,"JS/","sg/"+b);if(null==f){for(f=new JU.Lst;null!=(a=JS.SpaceGroupFinder.rdr.readLine());)0<a.length&&f.addLast(a);f.toArray(f=Array(f.size()))}else for(a=
0;a<f.length;a++)f[a]=JS.SpaceGroupFinder.rdr.readLine();JS.SpaceGroupFinder.rdr.close();return f},"JV.Viewer,~O,~A,~S");b.$SpaceGroupFinder$SGAtom$=function(){var a=P(function(){ta(this,arguments);this.index=this.typeAndOcc=0;this.name=null;O(this,arguments)},JS.SpaceGroupFinder,"SGAtom",JU.P3);K(a,function(a,f,b,d){la(this,JS.SpaceGroupFinder.SGAtom,[]);this.typeAndOcc=a+1E3*d;this.index=f;this.name=b},"~N,~N,~S,~N")};b.GROUP_COUNT=0;b.OP_COUNT=0;b.bsOpGroups=null;b.bsGroupOps=null;b.groupNames=
null;b.opXYZ=null;b.ops=null;b.rdr=null});Y("JS");ba(["JU.M4"],"JS.HallInfo",["JU.P3i","$.SB","JS.SymmetryOperation","JU.Logger"],function(){var b=P(function(){this.primitiveHallSymbol=this.hallSymbol=null;this.latticeCode="\x00";this.latticeExtension=null;this.$isCentrosymmetric=!1;this.rotationTerms=null;this.nRotations=0;this.vectorCode=this.vector12ths=null;O(this,arguments)},JS,"HallInfo",null);ca(b,function(){this.rotationTerms=Array(16)});K(b,function(a){this.init(a)},"~S");d(b,"getRotationCount",
function(){return this.nRotations});d(b,"isGenerated",function(){return 0<this.nRotations});d(b,"getLatticeCode",function(){return this.latticeCode});d(b,"isCentrosymmetric",function(){return this.$isCentrosymmetric});d(b,"getHallSymbol",function(){return this.hallSymbol});d(b,"init",function(a){try{var c=this.hallSymbol=a.trim(),c=this.extractLatticeInfo(c);if(0!=JS.HallInfo.HallTranslation.getLatticeIndex(this.latticeCode)){this.latticeExtension=JS.HallInfo.HallTranslation.getLatticeExtension(this.latticeCode,
this.$isCentrosymmetric);c=this.extractVectorInfo(c)+this.latticeExtension;JU.Logger.debugging&&JU.Logger.debug("Hallinfo: "+a+" "+c);a=0;var f="\x00";for(this.primitiveHallSymbol="P";0<c.length&&16>this.nRotations;){var c=this.extractRotationInfo(c,a,f),b=this.rotationTerms[this.nRotations-1];a=b.order;f=b.axisType;this.primitiveHallSymbol+=" "+b.primitiveCode}this.primitiveHallSymbol+=this.vectorCode}}catch(d){if(I(d,Exception))JU.Logger.error("Invalid Hall symbol "+d),this.nRotations=0;else throw d;
}},"~S");d(b,"dumpInfo",function(){var a=new JU.SB;a.append("\nHall symbol: ").append(this.hallSymbol).append("\nprimitive Hall symbol: ").append(this.primitiveHallSymbol).append("\nlattice type: ").append(this.getLatticeDesignation());for(var c=0;c<this.nRotations;c++)a.append("\n\nrotation term ").appendI(c+1).append(this.rotationTerms[c].dumpInfo(this.vectorCode));return a.toString()});d(b,"getLatticeDesignation",function(){return JS.HallInfo.HallTranslation.getLatticeDesignation2(this.latticeCode,
this.$isCentrosymmetric)});d(b,"extractLatticeInfo",function(a){var c=a.indexOf(" ");if(0>c)return"";var f=a.substring(0,c).toUpperCase();this.latticeCode=f.charAt(0);"-"==this.latticeCode&&(this.$isCentrosymmetric=!0,this.latticeCode=f.charAt(1));return a.substring(c+1).trim()},"~S");d(b,"extractVectorInfo",function(a){this.vector12ths=new JU.P3i;this.vectorCode="";var c=a.indexOf("("),f=a.indexOf(")",c);0<c&&f>c&&(f=a.substring(c+1,f),this.vectorCode=" ("+f+")",a=a.substring(0,c).trim(),c=f.indexOf(" "),
0<=c&&(this.vector12ths.x=Integer.parseInt(f.substring(0,c)),f=f.substring(c+1).trim(),c=f.indexOf(" "),0<=c&&(this.vector12ths.y=Integer.parseInt(f.substring(0,c)),f=f.substring(c+1).trim())),this.vector12ths.z=Integer.parseInt(f));return a},"~S");d(b,"extractRotationInfo",function(a,c,f){var b=a.indexOf(" "),d;0<=b?(d=a.substring(0,b),a=a.substring(b+1).trim()):(d=a,a="");this.rotationTerms[this.nRotations]=new JS.HallInfo.HallRotationTerm(this,d,c,f);this.nRotations++;return a},"~S,~N,~S");m(b,
"toString",function(){return this.hallSymbol});d(b,"generateAllOperators",function(a){for(var c=new JU.M4,f=new JU.M4,b=Array(7),d=0;7>d;d++)b[d]=new JU.M4;for(var g=a.getMatrixOperationCount(),d=0;d<this.nRotations;d++){var k=this.rotationTerms[d];c.setM4(k.seitzMatrix12ths);k=k.order;b[0].setIdentity();for(var h=1;h<=k;h++){var j=b[h];j.mul2(c,b[0]);b[0].setM4(j);for(var l=0,n=0;n<g;n++)f.mul2(j,a.getMatrixOperation(n)),f.m03=(y(f.m03)+12)%12,f.m13=(y(f.m13)+12)%12,f.m23=(y(f.m23)+12)%12,a.addHallOperationCheckDuplicates(f)&&
l++;g+=l}}},"JS.HallInfo.HallReceiver");b.getHallLatticeEquivalent=d(b,"getHallLatticeEquivalent",function(a){var c=JS.HallInfo.HallTranslation.getLatticeCode(a);return(0<a?"-":"")+c+" 1"},"~N");b.getLatticeDesignation=d(b,"getLatticeDesignation",function(a){return JS.HallInfo.HallTranslation.getLatticeDesignation(a)},"~N");b.getLatticeIndex=d(b,"getLatticeIndex",function(a){return JS.HallInfo.HallTranslation.getLatticeIndex(a)},"~S");b.getLatticeIndexFromCode=d(b,"getLatticeIndexFromCode",function(a){return JS.HallInfo.getLatticeIndex(JS.HallInfo.HallTranslation.getLatticeCode(a))},
"~N");va(JS.HallInfo,"HallReceiver");b=P(function(){this.seitzMatrixInv=this.seitzMatrix=this.rotCode=null;O(this,arguments)},JS.HallInfo,"HallRotation",null);ca(b,function(){this.seitzMatrix=new JU.M4;this.seitzMatrixInv=new JU.M4});K(b,function(a,c){this.rotCode=a;var f=H(16,0),b=H(16,0);f[15]=b[15]=1;for(var d=0,g=0;11>g;d++){var k=0;switch(c.charAt(d).charCodeAt(0)){case 32:g++;continue;case 43:case 49:k=1;break;case 45:k=-1}f[g]=k;b[g]=-k;g++}this.seitzMatrix.setA(f);this.seitzMatrixInv.setA(b)},
"~S,~S");b.lookup=d(b,"lookup",function(a){for(var c=JS.HallInfo.HallRotation.getHallTerms().length;0<=--c;)if(JS.HallInfo.HallRotation.hallRotationTerms[c].rotCode.equals(a))return JS.HallInfo.HallRotation.hallRotationTerms[c];return null},"~S");b.getHallTerms=d(b,"getHallTerms",function(){return null==JS.HallInfo.HallRotation.hallRotationTerms?JS.HallInfo.HallRotation.hallRotationTerms=Q(-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});b.hallRotationTerms=
null;b=P(function(){this.translationCode="\x00";this.rotationShift12ths=this.rotationOrder=0;this.vectorShift12ths=null;O(this,arguments)},JS.HallInfo,"HallTranslation",null);K(b,function(a,c){this.translationCode=a;if(null!=c){if(0<=c.z){this.vectorShift12ths=c;return}this.rotationOrder=c.x;this.rotationShift12ths=c.y}this.vectorShift12ths=new JU.P3i},"~S,JU.P3i");b.getLatticeIndex=d(b,"getLatticeIndex",function(a){for(var c=1,f=3;c<=JS.HallInfo.HallTranslation.nLatticeTypes;c++,f+=3)if(JS.HallInfo.HallTranslation.latticeTranslationData[f].charAt(0)==
a)return c;return 0},"~S");b.getLatticeCode=d(b,"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");b.getLatticeDesignation=d(b,"getLatticeDesignation",function(a){var c=0<a;0>a&&(a=-a);return 0==a||a>JS.HallInfo.HallTranslation.nLatticeTypes?"":(c?"-":"")+JS.HallInfo.HallTranslation.getLatticeCode(a)+
": "+(c?"centrosymmetric ":"")+JS.HallInfo.HallTranslation.latticeTranslationData[3*a+1]},"~N");b.getLatticeDesignation2=d(b,"getLatticeDesignation2",function(a,c){var f=JS.HallInfo.HallTranslation.getLatticeIndex(a);c||(f=-f);return JS.HallInfo.HallTranslation.getLatticeDesignation(f)},"~S,~B");b.getLatticeExtension=d(b,"getLatticeExtension",function(a,c){for(var f=1,b=3;f<=JS.HallInfo.HallTranslation.nLatticeTypes;f++,b+=3)if(JS.HallInfo.HallTranslation.latticeTranslationData[b].charAt(0)==a)return JS.HallInfo.HallTranslation.latticeTranslationData[b+
2]+(c?" -1":"");return""},"~S,~B");b.getHallTerms=d(b,"getHallTerms",function(){return null==JS.HallInfo.HallTranslation.hallTranslationTerms?JS.HallInfo.HallTranslation.hallTranslationTerms=Q(-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});b.getHallTranslation=d(b,"getHallTranslation",function(a,c){for(var f=null,b=JS.HallInfo.HallTranslation.getHallTerms().length;0<=--b;){var d=JS.HallInfo.HallTranslation.hallTranslationTerms[b];
if(d.translationCode==a&&(0==d.rotationOrder||d.rotationOrder==c)){f=new JS.HallInfo.HallTranslation(a,null);f.translationCode=a;f.rotationShift12ths=d.rotationShift12ths;f.vectorShift12ths=d.vectorShift12ths;break}}return f},"~S,~N");b.latticeTranslationData=Q(-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(";"));b.nLatticeTypes=A(JS.HallInfo.HallTranslation.latticeTranslationData.length/
3)-1;b.hallTranslationTerms=null;b=P(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;O(this,arguments)},JS.HallInfo,"HallRotationTerm",null);ca(b,function(){this.seitzMatrix12ths=new JU.M4});K(b,function(a,c,f,b){this.inputCode=c;c+="   ";"-"==c.charAt(0)&&(this.isImproper=!0,c=c.substring(1));
this.primitiveCode="";this.order=c.charAt(0).charCodeAt(0)-48;this.axisType=this.diagonalReferenceAxis="\x00";var d=2,g;switch((g=c.charAt(1)).charCodeAt(0)){case 120:case 121:case 122:switch(c.charAt(2).charCodeAt(0)){case 39:case 34:this.diagonalReferenceAxis=g,g=c.charAt(2),d++}case 42:this.axisType=g;break;case 39:case 34:this.axisType=g;switch(c.charAt(2).charCodeAt(0)){case 120:case 121:case 122:this.diagonalReferenceAxis=c.charAt(2);d++;break;default:this.diagonalReferenceAxis=b}break;default:this.axisType=
1==this.order?"_":0==a.nRotations?"z":2==a.nRotations?"*":2==f||4==f?"x":"'",c=c.substring(0,1)+this.axisType+c.substring(1)}this.primitiveCode+="_"==this.axisType?"1":c.substring(0,2);"\x00"!=this.diagonalReferenceAxis&&(c=c.substring(0,1)+this.diagonalReferenceAxis+this.axisType+c.substring(d),this.primitiveCode+=this.diagonalReferenceAxis,d=3);this.lookupCode=c.substring(0,d);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=c.length;d<f;d++)b=c.charAt(d),b=JS.HallInfo.HallTranslation.getHallTranslation(b,this.order),null!=b&&(this.translationString+=""+b.translationCode,this.translation.rotationShift12ths+=b.rotationShift12ths,this.translation.vectorShift12ths.add(b.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&&(d=JU.M4.newM4(null),f=JU.M4.newM4(null),a=a.vector12ths,d.m03=a.x,d.m13=a.y,d.m23=a.z,f.m03=-a.x,f.m13=-a.y,f.m23=-a.z,this.seitzMatrix12ths.mul2(d,this.seitzMatrix12ths),this.seitzMatrix12ths.mul(f));JU.Logger.debugging&&JU.Logger.debug("code = "+c+"; primitive code ="+this.primitiveCode+"\n Seitz Matrix(12ths):"+this.seitzMatrix12ths)}},"JS.HallInfo,~S,~N,~S");d(b,"dumpInfo",function(a){var c=new JU.SB;c.append("\ninput code: ").append(this.inputCode).append("; primitive code: ").append(this.primitiveCode).append("\norder: ").appendI(this.order).append(this.isImproper?
" (improper axis)":"");"_"!=this.axisType&&(c.append("; axisType: ").appendC(this.axisType),"\x00"!=this.diagonalReferenceAxis&&c.appendC(this.diagonalReferenceAxis));0<this.translationString.length&&c.append("; translation: ").append(this.translationString);0<a.length&&c.append("; vector offset: ").append(a);null!=this.rotation&&c.append("\noperator: ").append(this.getXYZ(this.allPositive)).append("\nSeitz matrix:\n").append(JS.SymmetryOperation.dumpSeitz(this.seitzMatrix12ths,!1));return c.toString()},
"~S");d(b,"getXYZ",function(a){return JS.SymmetryOperation.getXYZFromMatrix(this.seitzMatrix12ths,!0,a,!0)},"~B")});Y("JS");ba(["JU.M4","$.P3"],"JS.SymmetryOperation","java.util.Hashtable JU.Lst $.Matrix $.Measure $.P4 $.PT $.SB $.V3 JU.BoxInfo $.Logger $.Parser".split(" "),function(){var b=P(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.opIsCCW=this.opPlane=this.opAxis=
this.opPoint2=this.opPoint=this.opGlide=this.opTrans=null;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;O(this,arguments)},JS,"SymmetryOperation",JU.M4);K(b,function(a,c,f){la(this,JS.SymmetryOperation,[]);this.doNormalize=f;null==
a?this.opId=c:(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.setMatrix(!1),a.isFinalized||this.doFinalize())},"JS.SymmetryOperation,~N,~B");d(b,"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.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.opPlane+(2==a?JS.SymmetryOperation.op48(this.opTrans):"")}System.out.println("SymmetryOperation REJECTED TYPE FOR "+this);return""},"~N");d(b,"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""});b.opFrac=
d(b,"opFrac",function(a){return"{"+JS.SymmetryOperation.opF(a.x)+" "+JS.SymmetryOperation.opF(a.y)+" "+JS.SymmetryOperation.opF(a.z)+"}"},"JU.T3");b.opF=d(b,"opF",function(a){if(0==a)return"0";var c=0>a;c&&(a=-a);var f=0;1<=a&&(f=y(a),a-=f);var b=Math.round(48*a);if(0!=JU.PT.approx(b/48-a,1E3))return""+JU.PT.approx(a,1E3);a=0==b%48?1:0==b%24?2:0==b%16?3:0==b%12?4:0==b%8?6:0==b%6?8:0==b%4?12:0==b%3?16:0==b%2?24:48;return(c?"-":"")+(f*a+A(b*a/48))+(1==a?"":"/"+a)},"~N");b.op48=d(b,"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");d(b,"setSigma",function(a,c){this.subsystemCode=a;this.sigma=c},"~S,JU.Matrix");d(b,"setGamma",function(a){for(var c=3+this.modDim,f=(this.rsvs=new JU.Matrix(null,c+1,c+1)).getArray(),b=ua(c,0),d=0,g=0;g<c;g++){for(var k=0;k<c;k++)f[g][k]=this.linearRotTrans[d++];b[g]=(a?-1:1)*this.linearRotTrans[d++]}f[c][c]=1;a&&(this.rsvs=this.rsvs.inverse());for(g=0;g<
c;g++)f[g][c]=b[g];f=this.rsvs.getSubmatrix(0,0,3,3).getArray();for(g=0;3>g;g++)for(k=0;4>k;k++)this.setElement(g,k,3>k?f[g][k]:b[g]);this.setElement(3,3,1)},"~B");d(b,"doFinalize",function(){JS.SymmetryOperation.div12(this,this.divisor);if(0<this.modDim)for(var a=this.rsvs.getArray(),c=a.length-1;0<=--c;)a[c][3+this.modDim]=JS.SymmetryOperation.finalizeD(a[c][3+this.modDim],this.divisor);this.isFinalized=!0});b.div12=d(b,"div12",function(a,c){a.m03=JS.SymmetryOperation.finalizeF(a.m03,c);a.m13=JS.SymmetryOperation.finalizeF(a.m13,
c);a.m23=JS.SymmetryOperation.finalizeF(a.m23,c);return a},"JU.M4,~N");b.finalizeF=d(b,"finalizeF",function(a,c){if(0==c){if(0==a)return 0;var f=y(a);return 1*(f>>8)/(f&255)}return a/c},"~N,~N");b.finalizeD=d(b,"finalizeD",function(a,c){if(0==c){if(0==a)return 0;var f=A(a);return 1*(f>>8)/(f&255)}return a/c},"~N,~N");d(b,"getXyz",function(a){return a&&0==this.modDim||null==this.xyzOriginal?this.xyz:this.xyzOriginal},"~B");d(b,"getxyzTrans",function(a){var c=JU.M4.newM4(this);c.add(a);return JS.SymmetryOperation.getXYZFromMatrix(c,
!1,!1,!1)},"JU.T3");d(b,"dumpInfo",function(){return"\n"+this.xyz+"\ninternal matrix representation:\n"+this.toString()});b.dumpSeitz=d(b,"dumpSeitz",function(a,c){for(var f=new JU.SB,b=H(4,0),d=0;3>d;d++){a.getRow(d,b);f.append("[\t");for(var g=0;3>g;g++)f.appendI(y(b[g])).append("\t");g=b[3];g*=g==y(g)?4:48;f.append(JS.SymmetryOperation.twelfthsOf(c?JS.SymmetryOperation.normalizeTwelfths(g/48,48,!0):y(g))).append("\t]\n")}return f.toString()},"JU.M4,~B");d(b,"setMatrixFromXYZ",function(a,c,f){if(null==
a)return!1;this.xyzOriginal=a;this.divisor=JS.SymmetryOperation.setDivisor(a);a=a.toLowerCase();this.setModDim(c);var b=!1,d=!0;a.startsWith("!")&&(a.startsWith("!nohalf!")?(d=!1,this.xyzOriginal=a=a.substring(8)):(b=!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,b);if(0==a.indexOf("[[")){a=a.$replace("["," ").$replace("]"," ").$replace(","," ");JU.Parser.parseStringInfestedFloatArray(a,
null,this.linearRotTrans);for(c=this.linearRotTrans.length;0<=--c;)if(Float.isNaN(this.linearRotTrans[c]))return!1;this.setMatrix(b);this.isFinalized=!0;this.xyz=(this.isBio=0<=a.indexOf("bio"))?this.xyzOriginal=ma(this,JS.SymmetryOperation,"toString",[]):JS.SymmetryOperation.getXYZFromMatrix(this,!1,!1,!1);return!0}if(0==c&&0<=a.indexOf("x4"))for(c=14;4<=--c;)if(0<=a.indexOf("x"+c)){this.setModDim(c-3);break}c=null;a.endsWith("m")?(this.timeReversal=0<=a.indexOf("-m")?-1:1,f=!0):0<=a.indexOf("mz)")&&
(f=a.indexOf("("),c=a.substring(f+1,a.length-1),a=a.substring(0,f),f=!1);d=JS.SymmetryOperation.getMatrixFromString(this,a,this.linearRotTrans,f,d,!0);if(null==d)return!1;this.xyzCanonical=d;null!=c&&(f=1==JU.M4.newA16(this.linearRotTrans).determinant3(),this.timeReversal=0>a.indexOf("-x")==0>c.indexOf("-mx")==f?1:-1);this.setMatrix(b);this.xyz=b?JS.SymmetryOperation.getXYZFromMatrix(this,!0,!1,!1):this.doNormalize?d:a;0!=this.timeReversal&&(this.xyz+=1==this.timeReversal?",m":",-m");JU.Logger.debugging&&
JU.Logger.debug(""+this);return!0},"~S,~N,~B");b.setDivisor=d(b,"setDivisor",function(a){for(var c=a.indexOf("/"),f=a.length;0<c&&c<f-1;){var b=a.charAt(c+1);if(0>"2346".indexOf(b)||c<f-2&&Character.isDigit(a.charAt(c+2)))return 0;c=a.indexOf("/",c+1)}return 12},"~S");d(b,"setModDim",function(a){this.modDim=a;0<a&&(this.myLabels=JS.SymmetryOperation.labelsXn);this.linearRotTrans=H((a+4)*(a+4),0)},"~N");d(b,"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");d(b,"setFromMatrix",function(a,c){var f=0,b=0;this.myLabels=0==this.modDim?JS.SymmetryOperation.labelsXYZ:JS.SymmetryOperation.labelsXn;for(var d=0,g=3+this.modDim,k=0;d<g;k++){if(Float.isNaN(this.linearRotTrans[k]))return!1;f=this.linearRotTrans[k];1E-5>Math.abs(f)&&(f=0);if(0==(k+1)%(g+1)){var h=0==this.divisor?y(f)&255:this.divisor;0==h&&(h=12);f=JS.SymmetryOperation.finalizeF(f,
this.divisor);null!=a&&b<a.length&&(f+=a[b++]);f=JS.SymmetryOperation.normalizeTwelfths((0>f?-1:1)*Math.abs(f*h)/h,h,this.doNormalize);0==this.divisor&&(f=JS.SymmetryOperation.toDivisor(f,h));d++}this.linearRotTrans[k]=f}this.linearRotTrans[this.linearRotTrans.length-1]=this.divisor;this.setMatrix(c);this.isFinalized=null==a;this.xyz=JS.SymmetryOperation.getXYZFromMatrix(this,!0,!1,!1);return!0},"~A,~B");b.getMatrixFromXYZ=d(b,"getMatrixFromXYZ",function(a,c,f){null==c&&(c=H(16,0));a=JS.SymmetryOperation.getMatrixFromString(null,
a,c,!1,f,!0);if(null==a)return null;f=new JU.M4;f.setA(c);return JS.SymmetryOperation.div12(f,JS.SymmetryOperation.setDivisor(a))},"~S,~A,~B");b.getJmolCanonicalXYZ=d(b,"getJmolCanonicalXYZ",function(a){try{return JS.SymmetryOperation.getMatrixFromString(null,a,null,!1,!0,!0)}catch(c){if(I(c,Exception))return null;throw c;}},"~S");b.getMatrixFromString=d(b,"getMatrixFromString",function(a,c,f,b,d,g){var k=!1,h=!1,j=!1;c=JU.PT.rep(c,"[bio[","");var l=null==a?0:a.modDim,n=4+l,q=null==a?JS.SymmetryOperation.setDivisor(c):
a.divisor,p=d&&(null==a?!c.startsWith("!"):a.doNormalize),m=0<l?3:0;if(null!=f){for(var r=f.length-1,s=r;0<=--s;)f[s]=0;f[r]=1}r=c.indexOf(";")+1;0!=r&&(b=!0,r==c.length&&(c+="0,0,0"));var x=-1;a=null==a||0==l?null:a.myLabels;null==a&&(a=JS.SymmetryOperation.labelsXYZ);c=c.toLowerCase()+",";c=c.$replace("(",",");0<l&&(c=JS.SymmetryOperation.replaceXn(c,l+3));for(var u=0,t=0,A=0,S,B=0,z=0,E=0,H=1,w="",D=g?"":null,C=R(1,0),F=c.length,s=0;s<F;s++){switch((S=c.charAt(s)).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:z=0;k=!0;continue;case 120:case 121:case 122:case 97:case 98:case 99:case 100:case 101:case 102:case 103:case 104:t=A*n;k="x"<=S?S.charCodeAt(0)-120:S.charCodeAt(0)-97+m;u=t+k;j=j?-1:1;b&&0!=B?(null!=f&&(f[u]=B),j=y(B),B=0):null!=f&&(f[u]=j);null!=D&&(w+=JS.SymmetryOperation.plusMinus(w,j,a[k],!1));break;case 44:if(0!=r){if(0<r){x=s;s=r-1;r=-s;z=B=0;continue}r=s+1;s=x}B=JS.SymmetryOperation.normalizeTwelfths(B,
0==z?12:0==q?z:q,p);null!=f&&(f[t+n-1]=0==q&&0<z?B=JS.SymmetryOperation.toDivisor(E,z):B);null!=D&&(w+=JS.SymmetryOperation.xyzFraction12(B,0==q?z:q,!1,d),D+=(""===D?"":",")+w);if(A==n-2)return g?D:"ok";z=E=B=0;w="";t+=4;if(2<A++&&0==l)return JU.Logger.warn("Symmetry Operation? "+c),null;break;case 46:h=!0;H=1;continue;case 48:if(!h&&12==q&&(k||!b))continue;default:var U=S.charCodeAt(0)-48;if(0<=U&&9>=U){if(h){H/=10;0>B&&(j=!0);B+=H*U*(j?-1:1);continue}if(k){C[0]=s;z=JU.PT.parseIntNext(c,C);if(0>
z)return null;s=C[0]-1;0==B?null!=f&&(f[u]/=z):(E=y(B),B/=z)}else B=10*B+(j?-1:1)*U}else JU.Logger.warn("symmetry character?"+S)}h=k=j=!1}return null},"JS.SymmetryOperation,~S,~A,~B,~B,~B");b.replaceXn=d(b,"replaceXn",function(a,c){for(var f=c;0<=--f;)a=JU.PT.rep(a,JS.SymmetryOperation.labelsXn[f],JS.SymmetryOperation.labelsXnSub[f]);return a},"~S,~N");b.toDivisor=d(b,"toDivisor",function(a,c){var f=y(a);f!=a&&(f=a-f,c=y(Math.abs(c/f)),f=y(Math.abs(a)/f));return(f<<8)+c},"~N,~N");b.xyzFraction12=
d(b,"xyzFraction12",function(a,c,f,b){if(0==a)return"";12!=c&&(a=y(a),c=a&255,a>>=8);var d=A(c/2);if(f)for(;0>a;)a+=c;else if(b){for(;a>d;)a-=c;for(;a<-d;)a+=c}c=12==c?JS.SymmetryOperation.twelfthsOf(a):0==a?"0":a+"/"+c;return"0"==c.charAt(0)?"":0<a?"+"+c:c},"~N,~N,~B,~B");b.twelfthsOf=d(b,"twelfthsOf",function(a){var c="";0>a&&(a=-a,c="-");var f=12,b=Math.round(a);if(0.01<Math.abs(b-a)){a/=12;for(f=3;20>f;f++){var d=a*f,b=Math.round(d);if(0.01>Math.abs(b-d))break}if(20==f)return c+a}else{if(12==
b)return c+"1";if(12>b)return c+JS.SymmetryOperation.twelfths[b%12];switch(b%12){case 0:return c+A(b/12);case 2:case 10:f=6;break;case 3:case 9:f=4;break;case 4:case 8:f=3;break;case 6:f=2}b=A(b*f/12)}return c+b+"/"+f},"~N");b.plusMinus=d(b,"plusMinus",function(a,c,f,b){var d=Math.abs(c);return(1E-4>d?"":(0>c?"-":0==a.length?"":"+")+(0.9999<d?"":1>d&&b?JS.SymmetryOperation.twelfthsOf(12*d):""+y(d)))+f},"~S,~N,~S,~B");b.normalizeTwelfths=d(b,"normalizeTwelfths",function(a,c,f){a*=c;var b=A(c/2);if(f){for(;a>
b;)a-=c;for(;a<=-b;)a+=c}return a},"~N,~N,~B");b.getXYZFromMatrix=d(b,"getXYZFromMatrix",function(a,c,f,b){return JS.SymmetryOperation.getXYZFromMatrixFrac(a,c,f,b,!1)},"JU.M4,~B,~B,~B");b.getXYZFromMatrixFrac=d(b,"getXYZFromMatrixFrac",function(a,c,f,b,d){var g="",k=X(a,"JS.SymmetryOperation")?a:null;if(null!=k&&0<k.modDim)return JS.SymmetryOperation.getXYZFromRsVs(k.rsvs.getRotation(),k.rsvs.getTranslation(),c);var k=H(4,0),h=y(a.getElement(3,3));1==h?h=12:a.setElement(3,3,1);for(var j=0;3>j;j++){var l=
3>j?0:3;a.getRow(j,k);for(var n="",q=0;3>q;q++){var p=k[q];0!=JS.SymmetryOperation.approx(p)&&(n+=JS.SymmetryOperation.plusMinus(n,p,JS.SymmetryOperation.labelsXYZ[q+l],d))}if(0!=(c?k[3]:JS.SymmetryOperation.approx(k[3])))l=JS.SymmetryOperation.xyzFraction12(c?k[3]:k[3]*h,h,f,b),""===n&&(l="+"==l.charAt(0)?l.substring(1):l),n+=l;g+=","+(""===n?"0":n)}return g.substring(1)},"JU.M4,~B,~B,~B,~B");d(b,"rotateAxes",function(a,c,f,b){var d=Array(3);this.getRotationScale(b);for(var g=a.length;0<=--g;)f.setT(a[g]),
c.toFractional(f,!0),b.rotate(f),c.toCartesian(f,!0),d[g]=JU.V3.newV(f);return d},"~A,JS.UnitCell,JU.P3,JU.M3");b.fcoord=d(b,"fcoord",function(a,c){return JS.SymmetryOperation.opF(a.x)+c+JS.SymmetryOperation.opF(a.y)+c+JS.SymmetryOperation.opF(a.z)},"JU.T3,~S");b.approx=d(b,"approx",function(a){return JU.PT.approx(a,100)},"~N");b.approx6=d(b,"approx6",function(a){return JU.PT.approx(a,1E6)},"~N");b.getXYZFromRsVs=d(b,"getXYZFromRsVs",function(a,c,b){a=a.getArray();c=c.getArray();for(var e=a.length,
d="",g=0;g<e;g++){for(var d=d+",",k=0;k<e;k++){var h=a[g][k];0!=h&&(d+=(0>h?"-":d.endsWith(",")?"":"+")+(1==Math.abs(h)?"":""+Math.abs(h))+"x"+(k+1))}d+=JS.SymmetryOperation.xyzFraction12(A(c[g][0]*(b?1:12)),12,!1,!0)}return JU.PT.rep(d.substring(1),",+",",")},"JU.Matrix,JU.Matrix,~B");d(b,"toString",function(){return null==this.rsvs?ma(this,JS.SymmetryOperation,"toString",[]):ma(this,JS.SymmetryOperation,"toString",[])+" "+this.rsvs.toString()});d(b,"getMagneticOp",function(){return 2147483647==
this.magOp?this.magOp=y(this.determinant3()*this.timeReversal):this.magOp});d(b,"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");d(b,"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});d(b,"fixMagneticXYZ",function(a,c,b){if(0==this.timeReversal)return c;var e=c.indexOf("m"),e=e-A((3-this.timeReversal)/2);c=0>e?c:c.substring(0,e);if(!b)return c+(0<this.timeReversal?" +1":" -1");a=JU.M4.newM4(a);a.m03=a.m13=a.m23=0;0>this.getMagneticOp()&&a.scale(-1);return c+="("+JU.PT.rep(JU.PT.rep(JU.PT.rep(JS.SymmetryOperation.getXYZFromMatrix(a,
!1,!1,!1),"x","mx"),"y","my"),"z","mz")+")"},"JU.M4,~S,~B");d(b,"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)),this.info.put("timeReversal",Integer.$valueOf(this.timeReversal)),null!=this.xyzOriginal&&this.info.put("xyzOriginal",this.xyzOriginal));return this.info});b.normalizeOperationToCentroid=d(b,"normalizeOperationToCentroid",function(a,c,b,e,d){if(!(0>=d)){var g=0,k=0,h=0;null==JS.SymmetryOperation.atomTest&&(JS.SymmetryOperation.atomTest=new JU.P3);for(var j=
e+d;e<j;e++)c.rotTrans2(b[e],JS.SymmetryOperation.atomTest),g+=JS.SymmetryOperation.atomTest.x,k+=JS.SymmetryOperation.atomTest.y,h+=JS.SymmetryOperation.atomTest.z;g/=d;k/=d;for(h/=d;-0.001>g||1.001<=g;)c.m03+=0>g?1:-1,g+=0>g?1:-1;if(1<a)for(;-0.001>k||1.001<=k;)c.m13+=0>k?1:-1,k+=0>k?1:-1;if(2<a)for(;-0.001>h||1.001<=h;)c.m23+=0>h?1:-1,h+=0>h?1:-1}},"~N,JU.M4,~A,~N,~N");b.getLatticeCentering=d(b,"getLatticeCentering",function(a){for(var c=new JU.Lst,b=0;b<a.length;b++){var e=null==a[b]?null:a[b].getCentering();
null!=e&&c.addLast(JU.P3.newP(e))}return c},"~A");d(b,"getOpIsCCW",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opIsCCW});d(b,"getOpType",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opType});d(b,"getOpOrder",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opOrder});d(b,"getOpPoint",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opPoint});d(b,"getOpAxis",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opAxis});
d(b,"getOpPoint2",function(){return this.opPoint2});d(b,"getOpTrans",function(){-1==this.opType&&this.setOpTypeAndOrder();return null==this.opTrans?this.opTrans=new JU.V3:this.opTrans});b.opGet3code=d(b,"opGet3code",function(a){for(var c=0,b=H(4,0),e=0;3>e;e++){a.getRow(e,b);for(var d=0;3>d;d++)switch(y(b[d])){case 1:c|=d+1<<(2-e<<3);break;case -1:c|=16+d+1<<(2-e<<3)}}return c},"JU.M4");b.opGet3x=d(b,"opGet3x",function(a){if(0!=a.m22)return JS.SymmetryOperation.x;a=JS.SymmetryOperation.opGet3code(a);
for(var c=0;8>c;c++)if(a==JS.SymmetryOperation.C3codes[c])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");d(b,"setOpTypeAndOrder",function(){this.clearOp();var a=Math.round(this.determinant3()),c=Math.round(this.m00+this.m11+this.m22),b=0,e=0,d=JS.SymmetryOperation.x;switch(c){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;b=2;break;default:b=c*a+3,5==b&&(b=6),0<a?(this.opType=2,e=A(180*Math.acos((c-1)/2)/3.141592653589793),120==e&&(null==this.opX&&(this.opX=JS.SymmetryOperation.opGet3x(this)),d=this.opX)):2==b?this.opType=8:(this.opType=6,3==b&&(b=6),e=A(180*Math.acos((-c-1)/2)/3.141592653589793),120==e&&(null==this.opX&&(this.opX=JS.SymmetryOperation.opGet3x(this)),d=this.opX))}this.opOrder=b;var g=
new JU.M4,a=new JU.P3,c=JU.P3.newP(d);g.setM4(this);for(var k=new JU.P3,h=JU.P3.newP(c),j=new JU.P3,l=JU.P3.newP(c),n=new JU.P3,q=1;q<b;q++)g.mul(this),this.rotTrans(a),this.rotTrans(c),1==q&&n.setT(c),k.add(a),h.add(c),6==this.opType&&(0==q%2?l.add(c):j.add(c));this.opTrans=new JU.V3;g.getTranslation(this.opTrans);this.opTrans.scale(1/b);q=JS.SymmetryOperation.approx6(this.opTrans.length());this.opPoint=new JU.P3;var p=null,g=!0;switch(this.opType){case 4:h.add2(c,d);h.scale(0.5);this.opPoint=JU.P3.newP(JS.SymmetryOperation.opClean6(h));
g=JS.SymmetryOperation.checkOpPoint(this.opPoint);break;case 6:j.scale(2/b);l.scale(2/b);p=JU.V3.newVsub(j,l);p.normalize();this.opAxis=JS.SymmetryOperation.opClean6(p);k.add2(j,l);h.scale(1/b);this.opPoint.setT(JS.SymmetryOperation.opClean6(h));g=JS.SymmetryOperation.checkOpPoint(this.opPoint);180!=e&&(c.cross(d,c),this.opIsCCW=Boolean.$valueOf(0>c.dot(p)));break;case 2:p=JU.V3.newVsub(h,k);p.normalize();this.opAxis=JS.SymmetryOperation.opClean6(p);k.scale(1/b);a.setT(k);0<q&&k.sub(this.opTrans);
this.opPoint.setT(k);JS.SymmetryOperation.opClean6(this.opPoint);180!=e&&(c.cross(d,c),this.opIsCCW=Boolean.$valueOf(0>c.dot(p)));if(g=(new Boolean(g&JS.SymmetryOperation.checkOpAxis(a,0==q?this.opAxis:this.opTrans,k,new JU.V3,new JU.V3,null))).valueOf())this.opPoint.setT(k),JS.SymmetryOperation.checkOpAxis(this.opPoint,this.opAxis,c,new JU.V3,new JU.V3,this.opPoint)&&(this.opPoint2=JU.P3.newP(c)),0<q&&(k.scaleAdd2(0.5,this.opTrans,this.opPoint),g=JS.SymmetryOperation.checkOpPoint(k),null!=this.opPoint2&&
(k.scaleAdd2(0.5,this.opTrans,this.opPoint2),JS.SymmetryOperation.checkOpPoint(k)||(this.opPoint2=null)),0>p.dot(a)&&(g=!1));break;case 8:a.sub(this.opTrans),a.scale(0.5),this.opPoint.setT(a),n.sub(this.opTrans),this.opAxis=JU.V3.newVsub(n,d),c.scaleAdd2(0.5,this.opAxis,d),this.opAxis.normalize(),this.opPlane=new JU.P4,a.set(d.x+1.1,d.y+1.7,d.z+2.1),a.scale(0.5),this.rotTrans(a),a.sub(this.opTrans),a.scaleAdd2(0.5,d,a),a.scale(0.5),p=new JU.V3,g=JS.SymmetryOperation.checkOpPlane(this.opPoint,a,c,
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<q){JS.SymmetryOperation.opClean6(this.opTrans);b=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()?(b=1.25,this.opIsLong=!0):b=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)g=!1}else 0==this.opTrans.z&&1.25==this.opTrans.lengthSquared()&&(b=1.25,this.opIsLong=!0);this.opType|=1;if(Math.abs(JS.SymmetryOperation.approx(this.opTrans.x))>=b||Math.abs(JS.SymmetryOperation.approx(this.opTrans.y))>=b||Math.abs(JS.SymmetryOperation.approx(this.opTrans.z))>=b)g=!1}else this.opTrans=null;g||(this.isIrrelevant=!0)});d(b,"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");b.normalizePlane=d(b,"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");b.isCoaxial=d(b,"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");d(b,"clearOp",function(){this.isFinalized||this.doFinalize();this.isIrrelevant=!1;this.opIsCCW=this.opPlane=this.opPoint=this.opPoint2=this.opTrans=null;this.opIsLong=!1});b.hasTrans=d(b,"hasTrans",function(a){return 0!=JS.SymmetryOperation.approx6(a.m03)||0!=JS.SymmetryOperation.approx6(a.m13)||0!=JS.SymmetryOperation.approx6(a.m23)},"JU.M4");b.checkOpAxis=d(b,"checkOpAxis",function(a,c,b,e,d,g){null==JS.SymmetryOperation.opPlanes&&(JS.SymmetryOperation.opPlanes=
JU.BoxInfo.getBoxFacesFromOABC(null));for(var k=JU.BoxInfo.faceOrder,h=null==g?1:-1,j=0;6>j;j++){var l=JU.Measure.getIntersection(a,c,JS.SymmetryOperation.opPlanes[k[j]],b,e,d);if(null!=l&&JS.SymmetryOperation.checkOpPoint(l)&&0>c.dot(e)*h&&(null==g||0<=JS.SymmetryOperation.approx(g.distance(l)-0.5)))return!0}return!1},"JU.P3,JU.V3,JU.P3,JU.V3,JU.V3,JU.P3");b.opClean6=d(b,"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");b.checkOpPoint=d(b,"checkOpPoint",function(a){return JS.SymmetryOperation.checkOK(a.x,0)&&JS.SymmetryOperation.checkOK(a.y,0)&&JS.SymmetryOperation.checkOK(a.z,0)},"JU.T3");b.checkOK=d(b,"checkOK",function(a,c){return 0!=c||0<=JS.SymmetryOperation.approx(a)&&1>=JS.SymmetryOperation.approx(a)},"~N,~N");b.checkOpPlane=d(b,"checkOpPlane",function(a,c,b,e,d,g){JU.Measure.getPlaneThroughPoints(a,c,b,d,g,e);c=JU.BoxInfo.unitCubePoints;g=b=0;for(var k=8;0<=--k;){var h=JU.Measure.getPlaneProjection(c[k],
e,a,d);switch(y(Math.signum(JS.SymmetryOperation.approx6(h)))){case 1:if(0<g)return!0;b++;break;case -1:if(0<b)return!0;g++}}return!(8==g||8==b)},"JU.P3,JU.P3,JU.P3,JU.P4,JU.V3,JU.V3");b.getAdditionalOperations=d(b,"getAdditionalOperations",function(a){for(var c=a.length,b=new JU.Lst,e=new JU.SB,d=new java.util.Hashtable,g=new JU.V3,k=0;k<c;k++){var h=a[k];b.addLast(h);var j=h.getOpName(1);e.append(j).appendC(";");0!=(h.getOpType()&8)?JS.SymmetryOperation.addCoincidentMap(d,h,8,g):3==h.getOpType()&&
JS.SymmetryOperation.addCoincidentMap(d,h,3,null)}for(k=1;k<c;k++)a[k].addOps(e,b,d,c,k,g);return b.toArray(Array(b.size()))},"~A");d(b,"addOps",function(a,c,b,e,d,g){var k=new JU.V3;this.getTranslation(k);for(var h=8==(this.getOpType()&8),j=3==this.getOpType(),l=new JU.V3,n=null,q=3;-3<=--q;)for(var p=3;-3<=--p;)for(var m=3;-3<=--m;)null==n&&(n=new JS.SymmetryOperation(null,0,!1)),l.set(q,p,m),!this.checkOpSimilar(l,g)&&n.opCheckAdd(this,k,e,l,a,c,d+1)&&(h?JS.SymmetryOperation.addCoincidentMap(b,
n,8,g):j&&JS.SymmetryOperation.addCoincidentMap(b,n,3,null),n=null)},"JU.SB,JU.Lst,java.util.Map,~N,~N,JU.V3");b.addCoincidentMap=d(b,"addCoincidentMap",function(a,c,b,e){if(!c.isIrrelevant){var d=c.getOpName(0),g=a.get(d);c.iCoincident=0;b=3==b;if(null==g)a.put(d,g=new JU.Lst);else if(b){if(6==c.opOrder)for(a=g.size();0<=--a;)if(e=g.get(a),!e.isIrrelevant)switch(e.opOrder){case 3:e.isIrrelevant=!0}c.iCoincident=1}else{d=null;for(a=g.size();0<=--a;)if(d=g.get(a),null!=c.opGlide&&null!=d.opGlide){e.sub2(c.opGlide,
d.opGlide);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}e.add2(c.opGlide,d.opGlide);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}e.add2(c.opAxis,d.opAxis);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}}else if(null==c.opGlide&&null==d.opGlide){e.add2(c.opAxis,d.opAxis);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}e.sub2(c.opAxis,d.opAxis);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}}0==d.iCoincident?(c.iCoincident=1,d.iCoincident=-1):c.iCoincident=-d.iCoincident}g.addLast(c)}},
"java.util.Map,JS.SymmetryOperation,~N,JU.V3");d(b,"checkOpSimilar",function(a,c){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 c.cross(a,this.opAxis),0==JS.SymmetryOperation.approx6(c.length())?!1:0==JS.SymmetryOperation.approx6(a.dot(this.opAxis))}},"JU.V3,JU.V3");d(b,"opCheckAdd",function(a,c,b,e,d,g){this.setM4(a);a=JU.V3.newV(e);a.add(c);this.setTranslation(a);this.isFinalized=!0;this.setOpTypeAndOrder();
if(this.isIrrelevant||0==this.opType||1==this.opType)return!1;c=this.getOpName(1)+";";if(0==(this.opType&8)&&0<=d.indexOf(c))return!1;d.append(c);g.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");b.approx6Pt=d(b,"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");b.normalize12ths=
d(b,"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");d(b,"getCode",function(){if(null!=this.opAxisCode)return this.opAxisCode;var a=this.getOpName(2).charAt(0),c=this.opOrder,b=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 e=this.opTrans.length();if(null!=this.opIsCCW&&e<(1<e?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+c)+"."+b+"."});b.getGlideFromTrans=d(b,"getGlideFromTrans",function(a,c){var b=Math.abs(JS.SymmetryOperation.approx(12*a.x)),e=Math.abs(JS.SymmetryOperation.approx(12*a.y)),d=Math.abs(JS.SymmetryOperation.approx(12*a.z));
9==b&&(b=3);9==e&&(e=3);9==d&&(d=3);var g=3;0==b&&g--;0==e&&g--;0==d&&g--;d=y(b+e+d);switch(g){default:case 1:return 0!=b?"a":0!=e?"b":"c";case 2:switch(d){case 6:return"d";case 12:if(b=JU.P3.newP(c),b.normalize(),1==Math.abs(JS.SymmetryOperation.approx(b.x+b.y+b.z)))return"n"}break;case 3:switch(d){case 9:return"d";case 18:return"n"}}return"g"},"JU.T3,JU.T3");b.rotateAndTranslatePoint=d(b,"rotateAndTranslatePoint",function(a,c,b,e,d,g){a.rotTrans2(c,g);g.add3(b,e,d)},"JU.M4,JU.P3,~N,~N,~N,JU.P3");
b.transformStr=d(b,"transformStr",function(a,c,b,e,d,g,k,h,j){null==b&&(b=JU.M4.newM4(c),b.invert());null==e&&(e=new JU.M4);null==d&&(d=H(16,0));a=JS.SymmetryOperation.getMatrixFromXYZ(a,d,!0);null!=g&&a.add(g);e.setM4(b);e.mul(a);null!=c&&e.mul(c);null!=k&&a.add(k);if(h){e.getColumn(3,d);for(c=0;3>c;c++)d[c]=(10+d[c])%1;e.setColumnA(3,d)}return JS.SymmetryOperation.getXYZFromMatrixFrac(e,!1,!0,!1,j)},"~S,JU.M4,JU.M4,JU.M4,~A,JU.T3,JU.T3,~B,~B");b.stringToMatrix=d(b,"stringToMatrix",function(a){var c=
JS.SymmetryOperation.setDivisor(a),b=H(16,0);JS.SymmetryOperation.getMatrixFromString(null,a,b,!0,!1,!1);return JS.SymmetryOperation.div12(JU.M4.newA16(b),c)},"~S");b.getTransformABC=d(b,"getTransformABC",function(a,c){if(null==a)return"a,b,c";var b=JU.M4.newM4(a),e=new JU.V3;b.getTranslation(e);e.scale(-1);b.add(e);b.transpose();b=JS.SymmetryOperation.getXYZFromMatrixFrac(b,!1,!0,!1,!0).$replace("x","a").$replace("y","b").$replace("z","c");if(1E-12>e.lengthSquared())return b;e.scale(-1);return b+
";"+(c?JS.SymmetryOperation.norm3(e):JS.SymmetryOperation.opF(e.x)+","+JS.SymmetryOperation.opF(e.y)+","+JS.SymmetryOperation.opF(e.z))},"~O,~B");b.norm3=d(b,"norm3",function(a){return JS.SymmetryOperation.norm(a.x)+","+JS.SymmetryOperation.norm(a.y)+","+JS.SymmetryOperation.norm(a.z)},"JU.T3");b.norm=d(b,"norm",function(a){return JS.SymmetryOperation.opF(JS.SymmetryOperation.normHalf(a))},"~N");b.normHalf=d(b,"normHalf",function(a){for(;-0.5>=a;)a+=1;for(;0.5<a;)a-=1;return a},"~N");b.toPoint=d(b,
"toPoint",function(a,c){null==c&&(c=new JU.P3);var b=JU.PT.split(a,",");c.set(JU.PT.parseFloatFraction(b[0]),JU.PT.parseFloatFraction(b[1]),JU.PT.parseFloatFraction(b[2]));return c},"~S,JU.P3");b.atomTest=null;b.twelfths=Q(-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(" "));b.labelsXYZ=Q(-1,["x","y","z"]);b.labelsXn=Q(-1,"x1 x2 x3 x4 x5 x6 x7 x8 x9 x10 x11 x12 x13".split(" "));b.labelsXnSub=Q(-1,"xyzabcdefghij".split(""));b.x=JU.P3.new3(3.141592653589793,2.718281828459045,8.539734222673566);
b.C3codes=R(-1,[200978,1184513,1245458,135953,1245442,131857,200962,1180417]);b.xneg=null;b.opPlanes=null});Y("JS");ba(null,"JS.SymmetryInfo",["JU.PT","JS.SpaceGroup","$.SymmetryOperation","JU.SimpleUnitCell"],function(){var b=P(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.sgDerived=this.intlTableTransform=this.intlTableIndex=this.strSUPERCELL=this.spaceGroupF2CParams=this.spaceGroupF2C=this.spaceGroupF2CTitle=null;O(this,arguments)},JS,"SymmetryInfo",null);d(b,"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");d(b,"setSymmetryInfoFromFile",function(a,c){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.intlTableIndex=a.get("intlTableIndex");this.intlTableTransform=a.get("intlTableTransform");this.intlTableJmolID=a.remove("intlTableJmolID");var b=a.get("latticeType");this.latticeType=null==b?"P":b.charAt(0);this.symmetryOperations=a.remove("symOpsTemp");this.isMultiCell=(this.coordinatesAreFractional=a.containsKey("coordinatesAreFractional")?a.get("coordinatesAreFractional").booleanValue():!1)&&null!=this.symmetryOperations;null==c&&(c=a.get("unitCellParams"));c=JU.SimpleUnitCell.isValid(c)?
c:null;null==c&&(this.coordinatesAreFractional=!1,this.cellRange=this.symmetryOperations=null,this.infoStr="",a.remove("unitCellParams"));b=a.containsKey("symmetryCount")?a.get("symmetryCount").intValue():0;this.setInfo(b);return c},"java.util.Map,~A");d(b,"setInfo",function(a){var c="Spacegroup: "+this.sgName;if(null!=this.symmetryOperations){for(var b="",e="\nNumber of symmetry operations: "+(0==a?1:a)+"\nSymmetry Operations:",d=0;d<a;d++){var g=this.symmetryOperations[d],e=e+("\n"+g.fixMagneticXYZ(g,
g.xyz,!0));g.isCenteringOp&&(b+=" ("+JU.PT.rep(JU.PT.replaceAllCharacters(g.xyz,"xyz","0"),"0+","")+")")}0<b.length&&(c+="\nCentering: "+b);c=c+e+"\n"}this.infoStr=c},"~N");d(b,"getAdditionalOperations",function(){null==this.additionalOperations&&null!=this.symmetryOperations&&(this.additionalOperations=JS.SymmetryOperation.getAdditionalOperations(this.symmetryOperations));return this.additionalOperations});d(b,"getDerivedSpaceGroup",function(){null==this.sgDerived&&(this.sgDerived=JS.SpaceGroup.getSpaceGroupFromIndex(this.spaceGroupIndex));
return this.sgDerived});d(b,"setIsCurrentCell",function(a){return this.isCurrentCell!=a&&!0==(this.isCurrentCell=a)},"~B");d(b,"getSpaceGroupTitle",function(){return this.isCurrentCell&&null!=this.spaceGroupF2CTitle?this.spaceGroupF2CTitle:this.sgName.startsWith("cell=")?this.sgName:this.sgTitle});d(b,"getDisplayName",function(a){if(null==this.displayName){var c=a.isPolymer(),b=a.isSlab();a=c?"polymer":b?"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 e=this.intlTableTransform,d=this.intlTableIndex;!b&&(!c&&null!=d)&&(null!=e&&(c=a.indexOf(e),0<=c&&(a=JU.PT.rep(a,"("+e+")","")),0>d.indexOf(e)&&(c=d.indexOf("."),0<c&&(d=d.substring(0,c)),d+=":"+e)),a=(a.startsWith("0")?"":a.equals("unspecified!")?"#":a+" #")+d)}0<=a.indexOf("-- [--]")&&(a="");this.displayName=a}return this.displayName},"JS.Symmetry")});Y("JS");ba(["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 b=P(function(){this.drawID=this.modelSet=null;O(this,arguments)},JS,"SymmetryDesc",null);d(b,"set",function(a){this.modelSet=a;return this},"JM.ModelSet");b.getType=d(b,"getType",function(a){var c;if(null==a)return 1073742001;if(a.equalsIgnoreCase("matrix"))return 12;if(a.equalsIgnoreCase("description"))return 1825200146;if(a.equalsIgnoreCase("axispoint"))return 134217751;if(a.equalsIgnoreCase("time"))return 268441089;if(a.equalsIgnoreCase("info"))return 1275068418;if(a.equalsIgnoreCase("element"))return 1086326789;
if(a.equalsIgnoreCase("invariant"))return 36868;c=JS.T.getTokFromName(a);if(0!=c)return c;c=JS.SymmetryDesc.getKeyType(a);return 0>c?c:1073742327},"~S");b.getKeyType=d(b,"getKeyType",function(a){"type".equals(a)&&(a="_type");for(var c=0;c<JS.SymmetryDesc.keys.length;c++)if(a.equalsIgnoreCase(JS.SymmetryDesc.keys[c]))return-1-c;return 0},"~S");b.nullReturn=d(b,"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:return"";
case 1153433601:return new JU.BS;default:return null}},"~N");b.getInfo=d(b,"getInfo",function(a,c){if(0==a.length)return"";if(0>c&&-c<=JS.SymmetryDesc.keys.length&&-c<=a.length)return a[-1-c];switch(c){case 1073742327:case 1073741982:return a;case 1275068418:for(var b=new java.util.Hashtable,e=0,d=a.length;e<d;e++){var g=3==e?"draw":7==e?"axispoint":JS.SymmetryDesc.keys[e];null!=a[e]&&b.put(g,a[e])}return b;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 1073741854:return a[8];case 134217729:return a[9];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 Q(-1,[a[6],a[7],a[8],a[14],a[5]]);case 36868:return null!=a[6]?a[6]:null!=a[8]?Q(-1,[a[7],a[8],a[5]]):null!=a[5]?"none":null!=a[14]?a[14]:"identity"}},"~A,~N");b.getInfoBS=d(b,"getInfoBS",function(a){var c=new JU.BS;if(0>a&&-a<=JS.SymmetryDesc.keys.length)return c.set(-1-a),c;switch(a){case 0:case 1153433601:case 1073742001:case 1073742327:case 1073741982:case 1275068418:c.setBits(0,JS.SymmetryDesc.keys.length);break;
case 1073741961:c.set(0);c.set(2);break;case 1145047049:c.set(0);break;case 1145047053:c.set(19);break;case 1073742078:c.set(1);break;default:case 1825200146:c.set(2);break;case 135176:c.set(0);c.set(2);c.set(3);break;case 1145047050:c.set(4);break;case 1073742178:c.set(5);break;case 12289:c.set(6);break;case 134217751:c.set(7);break;case 1073741854:c.set(8);break;case 134217729:c.set(9);break;case 12:c.set(10);break;case 1814695966:c.set(11);break;case 4160:c.set(12);break;case 268441089:c.set(13);
break;case 134217750:c.set(14);break;case 1140850696:c.set(15);break;case 1073741974:c.set(16);break;case 1086326789:case 36868:c.set(5),c.set(6),c.set(7),c.set(8),c.set(14),c.set(22)}return c},"~N");d(b,"createInfoArray",function(a,c,b,e,d,g,k,h,j,l,n){a.isFinalized||a.doFinalize();var q=1==j.cardinality()&&j.get(10),p=-1==a.timeReversal;0==g&&(g=1);JS.SymmetryDesc.vtrans.set(0,0,0);var m=null,r=null==b||Float.isNaN(b.x)?c.getCartesianOffset():b;if(null!=e){JS.SymmetryDesc.pta01.setT(r);JS.SymmetryDesc.pta02.setT(e);
c.toFractional(JS.SymmetryDesc.pta01,!1);c.toFractional(JS.SymmetryDesc.pta02,!1);a.rotTrans(JS.SymmetryDesc.pta01);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta01);c.unitize(JS.SymmetryDesc.pta01);JS.SymmetryDesc.vtrans.setT(JS.SymmetryDesc.pta02);c.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 s=JU.M4.newM4(a);s.add(JS.SymmetryDesc.vtrans);j.get(10)&&(null!=e&&r.equals(e))&&
(s.m00=Math.round(s.m00),s.m01=Math.round(s.m01),s.m02=Math.round(s.m02),s.m03=Math.round(s.m03),s.m10=Math.round(s.m10),s.m11=Math.round(s.m11),s.m12=Math.round(s.m12),s.m13=Math.round(s.m13),s.m20=Math.round(s.m20),s.m21=Math.round(s.m21),s.m22=Math.round(s.m22),s.m23=Math.round(s.m23));var x=0!=a.timeReversal;if(q&&!x)return a=JS.SymmetryDesc.getKeyType("matrix"),c=Array(-a),c[-1-a]=s,c;q=new JU.V3;JS.SymmetryDesc.pta01.set(1,0,0);JS.SymmetryDesc.pta02.set(0,1,0);var u=JU.P3.new3(0,0,1);JS.SymmetryDesc.pta01.add(r);
JS.SymmetryDesc.pta02.add(r);u.add(r);var t=JS.SymmetryDesc.rotTransCart(a,c,r,JS.SymmetryDesc.vtrans),H=JS.SymmetryDesc.rotTransCart(a,c,JS.SymmetryDesc.pta01,JS.SymmetryDesc.vtrans),S=JS.SymmetryDesc.rotTransCart(a,c,JS.SymmetryDesc.pta02,JS.SymmetryDesc.vtrans),B=JS.SymmetryDesc.rotTransCart(a,c,u,JS.SymmetryDesc.vtrans),z=JU.V3.newVsub(H,t),E=JU.V3.newVsub(S,t),P=JU.V3.newVsub(B,t);JS.SymmetryOperation.approx6Pt(JS.SymmetryDesc.vtrans);var w=new JU.V3;w.cross(z,E);var D=0>w.dot(P);D&&(H.sub2(t,
z),S.sub2(t,E),B.sub2(t,P));var C=JU.Quat.getQuaternionFrame(t,H,S).div(JU.Quat.getQuaternionFrame(r,JS.SymmetryDesc.pta01,JS.SymmetryDesc.pta02)),C=JU.Quat.new4(C.q1,C.q2,C.q3,C.q0),F=JU.Measure.computeHelicalAxis(r,t,C),C=JU.P3.newP(F[0]),U=JU.P3.newP(F[1]),K=y(Math.abs(JU.PT.approx(F[3].x,1))),Q=JS.SymmetryOperation.approx(F[3].y);D&&(H.add2(t,z),S.add2(t,E),B.add2(t,P));F=JU.V3.newVsub(t,r);0.1>F.length()&&(F=null);var O=null,T=null,I=null,R=0,Y=0,ba=0==K,ca=!ba,ka=!1,W=!1,aa=!ca&&!D;if(ca||D)F=
null;if(D&&ba)T=JU.P3.newP(r),T.add(t),T.scale(0.5),O=t,ka=!0;else if(D){var M=0==Q?new JU.V3:U,N=0;switch(K){case 60:N=0.6666667;break;case 120:N=2;break;case 90:N=1;break;case 180:I=JU.P3.newP(r);I.add(M);C.scaleAdd2(0.5,M,r);0.1<I.distance(t)?(F=JU.V3.newVsub(t,I),q.setT(F),c.toFractional(q,!0)):F=null;w.setT(U);w.normalize();R=-w.x*C.x-w.y*C.y-w.z*C.z;m=JU.P4.new4(w.x,w.y,w.z,R);Y=0.01>Math.abs(R)&&0.4<w.x*w.y?1.3:1.05;D=ca=!1;W=!0;break;default:D=!1}0!=N&&(w.sub2(r,C),w.add(t),w.sub(C),w.sub(M),
w.scale(N),C.add(w),T=new JU.P3,T.scaleAdd2(0.5,M,C),O=new JU.P3,O.scaleAdd2(-2,T,t),O.scale(-1))}else null!=F&&(JS.SymmetryDesc.ptemp.setT(F),c.toFractional(JS.SymmetryDesc.ptemp,!1),q.setT(JS.SymmetryDesc.ptemp),c.toCartesian(JS.SymmetryDesc.ptemp,!1),F.setT(JS.SymmetryDesc.ptemp));var da=K;JS.SymmetryDesc.approx0(U);if(ca){var V=new JU.P3;w.setT(U);N=K;D?(V.setT(O),N=O):0==Q?(N=t,V.setT(C)):(N=t,V.scaleAdd2(0.5,w,C));JS.SymmetryDesc.ptemp.add2(C,w);N=Math.round(JU.Measure.computeTorsion(r,C,JS.SymmetryDesc.ptemp,
N,!0));0!=JS.SymmetryOperation.approx(N)&&(K=N,0>K&&(K=360+K))}var R=N=null,na=String.fromCharCode(0),Z=a.isIrrelevant,ea=a.getOpOrder();a.isIrrelevant=(new Boolean(a.isIrrelevant|Z)).valueOf();var $=a.getOpIsCCW(),ha=0,fa=0;if(j.get(2)||j.get(15))N=R="identity",ka?(JS.SymmetryDesc.ptemp.setT(T),c.toFractional(JS.SymmetryDesc.ptemp,!1),N="Ci: "+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio),R="inversion center"):ca?(N="",null!=$&&(N=$===Boolean.TRUE?"(+)":"(-)",ha=$===Boolean.TRUE?1:-1),
fa=A(360/da),D?N=fa+"-bar"+N+" axis":0!=Q?(JS.SymmetryDesc.ptemp.setT(U),c.toFractional(JS.SymmetryDesc.ptemp,!1),N=fa+N+" ("+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio)+") screw axis"):(N=fa+N+" axis",0==ea%2&&(ha*=A(ea/2))),R=N):null!=F?(Z=" "+JS.SymmetryDesc.strCoord(q,a.isBio),ba?(R=N="translation",N+=":"+Z):W&&(l&&(JS.SymmetryDesc.fixGlideTrans(q),F.setT(q),c.toCartesian(F,!0)),Z=" "+JS.SymmetryDesc.strCoord(q,a.isBio),na=JS.SymmetryOperation.getGlideFromTrans(q,U),R=N=na+"-glide plane",
N+="|translation:"+Z)):W&&(R=N="mirror plane"),D&&!ka&&(JS.SymmetryDesc.ptemp.setT(T),c.toFractional(JS.SymmetryDesc.ptemp,!1),N+="|at "+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio)),p&&(N+="|time-reversed",R+=" (time-reversed)");var la=!0,Z=ca&&!D&&0!=Q;Z||(ha=0,la=JS.SymmetryDesc.checkHandedness(c,U),la||(K=-K,0>K&&(K=360+K),U.scale(-1)));var oa=!1,G=null;if(null!=d&&j.get(3))if(0==a.getOpType()||n&&a.isIrrelevant)JU.Logger.debugging&&System.out.println("!!SD irrelevent "+a.getOpTitle()+
a.getOpPoint()),G="";else{var ia=null;this.drawID='\ndraw ID "'+d;G=new JU.SB;G.append(this.getDrawID("*")).append(" delete");l||(this.drawLine(G,"frame1X",0.15,r,JS.SymmetryDesc.pta01,"red"),this.drawLine(G,"frame1Y",0.15,r,JS.SymmetryDesc.pta02,"green"),this.drawLine(G,"frame1Z",0.15,r,u,"blue"));var qa=null,ma=0,u=0.2>r.distance(t),ja=l?"<hover>"+d+": "+a.xyz+"|"+N+"</hover>":null;if(ca){d=2==fa?"red":3==fa?"[xA00040]":4==fa?"[x800080]":"[x4000A0]";var da=K,pa=1;w.setT(U);Y="";l&&(C.setT(a.getOpPoint()),
c.toCartesian(C,!1));V=new JU.P3;0!=Q&&!D?(ia="screw",d=$===Boolean.TRUE?"orange":$===Boolean.FALSE?"blue":4==ea?"lightgray":"grey",l||(this.drawLine(G,"rotLine1",0.1,r,C,"red"),JS.SymmetryDesc.ptemp.add2(C,w),this.drawLine(G,"rotLine2",0.1,t,JS.SymmetryDesc.ptemp,"red"),V.scaleAdd2(0.5,w,C))):(V.setT(C),la||!u&&!l&&C.sub2(C,w),D?(ia="bar",l?(w.normalize(),$===Boolean.TRUE&&w.scale(-1)):0==Q?(V.setT(T),w.scale(3*g),u?(JS.SymmetryDesc.ptemp.scaleAdd2(0.25,w,C),C.scaleAdd2(-0.2,w,C),V.scaleAdd2(0.31,
w,V),d="cyan"):(JS.SymmetryDesc.ptemp.scaleAdd2(-1,w,C),this.drawLine(G,"rotLine1",0.1,r,T,"red"),this.drawLine(G,"rotLine2",0.1,O,T,"red"))):u||(pa=r.distance(V),this.drawLine(G,"rotLine1",0.1,r,V,"red"),this.drawLine(G,"rotLine2",0.1,O,V,"red"))):(ia="rot",w.scale(3*g),!u&&!l&&(this.drawLine(G,"rotLine1",0.1,r,V,"red"),this.drawLine(G,"rotLine2",0.1,t,V,"red")),V.setT(C),0==Q&&u&&V.scaleAdd2(0.25,w,V)));l||(180<da&&(da=180-da),JS.SymmetryDesc.ptemp.add2(V,w),G.append(this.getDrawID("rotRotArrow")).append(" arrow width 0.1 scale "+
JU.PT.escF(pa)+" arc ").append(JU.Escape.eP(V)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.setT(r),0.1>JS.SymmetryDesc.ptemp.distance(t)&&JS.SymmetryDesc.ptemp.set(Math.random(),Math.random(),Math.random()),G.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.set(0,da-5*Math.signum(da),0),G.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color red"));da=0;!a.opIsLong&&(n&&0<Q&&!D)&&(oa=(da=a.getOpTrans().length())>(2==ea?0.71:3==ea?0.578:0.51));oa&&JU.Logger.debugging&&
System.out.println("SD ignoring "+a.getOpTrans().length()+" "+a.getOpTitle()+a.xyz);g=null;if(0==Q&&!D){JS.SymmetryDesc.ptemp.scaleAdd2(0.5,w,C);C.scaleAdd2(l?-0.5:-0.45,w,C);if(n&&null!=(g=a.getOpPoint2()))V.setT(g),c.toCartesian(V,!1),V.scaleAdd2(-0.5,w,V);l&&this.scaleByOrder(w,ea,$)}else n&&0!=Q&&!D&&0.4<(M=a.getOpTrans().length())?$!==Boolean.TRUE&&null!=$&&0.5==M&&(oa=!0):l&&D&&(this.scaleByOrder(w,ea,$),Y="80");0<Q&&!D&&(Y=""+(90-y(90*(w.length()/Q))));if(!oa){if(0!=ha){switch(ea){case 4:0.49<
da&&(ha=-2);break;case 6:0.49<da?ha=-3:0.33<da&&(ha*=2)}d=0>ha?"blue":"orange"}M=ia+"_"+fa+"rotvector1";this.drawOrderVector(G,M,"vector","0.1"+Y,C,fa,ha,D&&n,$===Boolean.TRUE,w,p?"gray":d,ja,n);null!=g&&this.drawOrderVector(G,M+"2","vector","0.1"+Y,V,ea,ha,D,$===Boolean.TRUE,w,p?"gray":d,ja,n)}}else if(W){JS.SymmetryDesc.ptemp.sub2(I,r);!l&&0.2<r.distance(I)&&this.drawVector(G,"planeVector","vector","0.05",r,JS.SymmetryDesc.ptemp,p?"gray":"cyan",null);if(null==F)d="magenta";else{ia="glide";switch(na.charCodeAt(0)){case 97:d=
"[x4080ff]";break;case 98:d="blue";break;case 99:d="cyan";break;case 110:d="orange";break;case 100:d="grey";break;default:d="lightgreen"}l||(this.drawFrameLine("X",I,z,0.15,JS.SymmetryDesc.ptemp,G,ia,"red"),this.drawFrameLine("Y",I,E,0.15,JS.SymmetryDesc.ptemp,G,ia,"green"),this.drawFrameLine("Z",I,P,0.15,JS.SymmetryDesc.ptemp,G,ia,"blue"))}M=c.getCanonicalCopy(Y,!0);M=this.modelSet.vwr.getTriangulator().intersectPlane(m,M,3);if(null!=M){Q=l?a.iCoincident:0;qa=new JU.P3;$=g=0;for(ha=M.size();g<ha;g++)fa=
M.get(g),G.append(this.getDrawID((null==F?"mirror_":na+"_g")+"planep"+g)).append(JU.Escape.eP(fa[0])).append(JU.Escape.eP(fa[1])),3==fa.length?((0==Q||0==$%2!=(1==Q))&&G.append(JU.Escape.eP(fa[2])),$++):(qa.add(fa[0]),qa.add(fa[1]),ma+=2),G.append(" color translucent ").append(d),null!=ja&&G.append(" ").append(JU.PT.esc(ja))}if(null==M||0==M.size())n?oa=!0:(JS.SymmetryDesc.ptemp.add2(C,U),G.append(this.getDrawID("planeCircle")).append(" scale 2.0 circle ").append(JU.Escape.eP(C)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color translucent ").append(d).append(" mesh fill"),
null!=ja&&G.append(" ").append(JU.PT.esc(ja)))}D&&(ia="inv",ka?(G.append(this.getDrawID("inv_point")).append(" diameter 0.4 ").append(JU.Escape.eP(T)),null!=ja&&G.append(" ").append(JU.PT.esc(ja)),JS.SymmetryDesc.ptemp.sub2(O,r),l||this.drawVector(G,"Arrow","vector","0.05",r,JS.SymmetryDesc.ptemp,p?"gray":"cyan",null)):(4==ea&&(G.append(this.getDrawID("RotPoint")).append(" diameter 0.3 color red").append(JU.Escape.eP(T)),null!=ja&&G.append(" ").append(JU.PT.esc(ja))),l||(G.append(" color cyan"),u||
(JS.SymmetryDesc.ptemp.sub2(t,O),this.drawVector(G,"Arrow","vector","0.05",O,JS.SymmetryDesc.ptemp,p?"gray":"cyan",null)),1073742066!=k&&(w.setT(z),w.scale(-1),this.drawFrameLine("X",O,w,0.15,JS.SymmetryDesc.ptemp,G,ia,"red"),w.setT(E),w.scale(-1),this.drawFrameLine("Y",O,w,0.15,JS.SymmetryDesc.ptemp,G,ia,"green"),w.setT(P),w.scale(-1),this.drawFrameLine("Z",O,w,0.15,JS.SymmetryDesc.ptemp,G,ia,"blue")))));null!=F&&(W&&l?null!=qa&&(I=qa,I.scale(1/ma),I.scaleAdd2(-0.5,F,I)):null==I&&(I=l?r:JU.P3.newP(r)),
null!=I&&!oa&&(n="\x00"==na,(w=l&&!n&&!aa)?(JS.SymmetryDesc.ptemp.scaleAdd2(0.5,F,I),JS.SymmetryDesc.vtrans.setT(F),JS.SymmetryDesc.vtrans.scale(0.5)):(JS.SymmetryDesc.ptemp.setT(I),JS.SymmetryDesc.vtrans.setT(F)),d=w?"green":p&&!D&&!W&&!ca?"darkGray":"gold",this.drawVector(G,(n?"centering_":na+"_g")+"trans_vector","vector",w||aa?"0.1":"0.05",JS.SymmetryDesc.ptemp,JS.SymmetryDesc.vtrans,d,ja),w&&(JS.SymmetryDesc.vtrans.scale(-1),this.drawVector(G,na+"_gtrans_vector2","vector","0.1",JS.SymmetryDesc.ptemp,
JS.SymmetryDesc.vtrans,d,ja))));l||(JS.SymmetryDesc.ptemp2.setT(t),JS.SymmetryDesc.ptemp.sub2(H,t),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(S,t),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(B,t),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(r)),G.append("\nvar p0 = "+JU.Escape.eP(JS.SymmetryDesc.ptemp2)),X(r,"JM.Atom")?(G.append("\nvar set2 = within(0.2,p0);if(!set2){set2 = within(0.2,p0.uxyz.xyz)}"),G.append("\n set2 &= {_"+r.getElementSymbol()+"}")):G.append("\nvar set2 = p0.uxyz"),G.append("\nsym_target = set2;if (set2) {"),!u&&(1073742066!=k&&null==e&&!h)&&(G.append(this.getDrawID("offsetFrameX")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(z)).append("*0.9} color red"),
G.append(this.getDrawID("offsetFrameY")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(E)).append("*0.9} color green"),G.append(this.getDrawID("offsetFrameZ")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(P)).append("*0.9} color purple")),G.append("\n}\n"));G=G.toString();JU.Logger.debugging&&JU.Logger.info(G)}null==F&&(q=null);Z&&(F=JU.V3.newV(U),JS.SymmetryDesc.ptemp.setT(F),c.toFractional(JS.SymmetryDesc.ptemp,!1),q=JU.V3.newV(JS.SymmetryDesc.ptemp));
W&&(K=0);D?ka&&(q=F=U=C=null):ba&&(U=C=null);null!=U&&U.normalize();k=null;if(j.get(0)||j.get(17))k=a.isBio?s.toString():0<a.modDim?a.xyzOriginal:JS.SymmetryOperation.getXYZFromMatrix(s,!1,!1,!1),x&&(k=a.fixMagneticXYZ(s,k,!0));h=Array(20);for(g=j.nextSetBit(0);0<=g;g=j.nextSetBit(g+1))switch(g){case 0:h[g]=k;break;case 19:null!=b&&(null==e&&!a.isBio&&0==a.modDim)&&(JS.SymmetryDesc.pta02.setT(b),c.toFractional(JS.SymmetryDesc.pta02,!0),s.rotTrans(JS.SymmetryDesc.pta02),JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta02),
c.unitize(JS.SymmetryDesc.pta02),JS.SymmetryDesc.vtrans.sub2(JS.SymmetryDesc.pta02,JS.SymmetryDesc.ptemp),s=JU.M4.newM4(a),s.add(JS.SymmetryDesc.vtrans),l=JS.SymmetryOperation.getXYZFromMatrix(s,!1,!1,!1),x&&(l=a.fixMagneticXYZ(s,l,!0)),h[g]=l);break;case 1:h[g]=a.xyzOriginal;break;case 2:h[g]=N;break;case 3:h[g]=G;break;case 4:h[g]=JS.SymmetryDesc.approx0(q);break;case 5:h[g]=JS.SymmetryDesc.approx0(F);break;case 6:h[g]=JS.SymmetryDesc.approx0(T);break;case 7:h[g]=JS.SymmetryDesc.approx0(null!=C&&
j.get(22)?r:C);break;case 8:h[g]=null==m?JS.SymmetryDesc.approx0(U):null;break;case 9:h[g]=0!=K?Integer.$valueOf(K):null;break;case 10:h[g]=s;break;case 11:h[g]=0<JS.SymmetryDesc.vtrans.lengthSquared()?JS.SymmetryDesc.vtrans:null;break;case 12:h[g]=a.getCentering();break;case 13:h[g]=Integer.$valueOf(a.timeReversal);break;case 14:null!=m&&j.get(22)&&(M=JU.Measure.distanceToPlane(m,r),m.w-=M);h[g]=m;break;case 15:h[g]=R;break;case 16:h[g]=Integer.$valueOf(a.number);break;case 17:l=null;!a.isBio&&!k.equals(a.xyzOriginal)&&
0<a.number&&(p=JS.SymmetryOperation.getMatrixFromXYZ(a.xyzOriginal,null,!1),p.sub(s),l=new JU.P3,p.getTranslation(l));h[g]=(0>a.number?0:a.number)+(null==l?" [0 0 0]":" ["+y(-l.x)+" "+y(-l.y)+" "+y(-l.z)+"]");break;case 18:h[g]=a.xyzCanonical}return h},"JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.P3,~S,~N,~N,~B,JU.BS,~B,~B");b.fixGlideTrans=d(b,"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");b.fixGlideX=
d(b,"fixGlideX",function(a){switch(Math.round(48.001*a)){case 36:return-0.25;case -36:return 0.25;default:return a}},"~N");d(b,"scaleByOrder",function(a,c,b){a.scale(1+0.3/c+(null==b?0:b===Boolean.TRUE?0.02:-0.02))},"JU.V3,~N,Boolean");b.checkHandedness=d(b,"checkHandedness",function(a,c){var b,e,d;JS.SymmetryDesc.ptemp.set(1,0,0);a.toCartesian(JS.SymmetryDesc.ptemp,!1);b=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));JS.SymmetryDesc.ptemp.set(0,1,0);a.toCartesian(JS.SymmetryDesc.ptemp,!1);
e=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));JS.SymmetryDesc.ptemp.set(0,0,1);a.toCartesian(JS.SymmetryDesc.ptemp,!1);d=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));return 0==b?0==e?0<d:0<e:0==d?0<b:0==e?0<d:0<b*e*d},"J.api.SymmetryInterface,JU.P3");d(b,"drawLine",function(a,c,b,e,d,g){a.append(this.getDrawID(c)).append(" diameter ").appendD(b).append(JU.Escape.eP(e)).append(JU.Escape.eP(d)).append(" color ").append(g)},"JU.SB,~S,~N,JU.P3,JU.P3,~S");d(b,"drawFrameLine",function(a,
c,b,e,d,g,k,h){d.setT(c);d.add(b);this.drawLine(g,k+"Pt"+a,e,c,d,"translucent "+h)},"~S,JU.P3,JU.V3,~N,JU.P3,JU.SB,~S,~S");d(b,"drawVector",function(a,c,b,e,d,g,k,h){b.equals("vline")&&(JS.SymmetryDesc.ptemp2.add2(d,g),b="",g=JS.SymmetryDesc.ptemp2);a.append(this.getDrawID(c)).append(" diameter ").append(e+" ").append(b).append(JU.Escape.eP(d)).append(JU.Escape.eP(g)).append(" color ").append(k);null!=h&&a.append(' "'+h+'"')},"JU.SB,~S,~S,~S,JU.T3,JU.T3,~S,~S");d(b,"drawOrderVector",function(a,c,
b,e,d,g,k,h,j,l,n,q,p){this.drawVector(a,c,b,e,d,l,n,q);if(!(2==g||h&&!j)){b=JS.SymmetryDesc.getPolygon(g,!h?0:j?1:-1,h,d,l);e=b[0];a.append(this.getDrawID(c+"_key")).append(" POLYGON ").appendI(e.size());j=0;for(q=e.size();j<q;j++)a.appendO(e.get(j));a.append(" color ").append(n);if(0!=k&&p){b=JS.SymmetryDesc.getPolygon(g,k,h,d,l);a.append(this.getDrawID(c+"_key2"));e=b[0];a.append(" POLYGON ").appendI(e.size());j=0;for(q=e.size();j<q;j++)a.appendO(e.get(j));e=b[1];a.appendI(e.size());j=0;for(q=
e.size();j<q;j++)a.appendO(JU.PT.toJSON(null,e.get(j)));a.append(" color ").append(n)}}},"JU.SB,~S,~S,~S,JU.P3,~N,~N,~B,~B,JU.V3,~S,~S,~B");b.getPolygon=d(b,"getPolygon",function(a,c,b,e,d){var g=b?0.6:0.4,k=new JU.Lst,h=new JU.Lst,j=JU.V3.newV(d);j.scale(0);j.add(e);var l=JU.V3.new3(0,0,1),n=new JU.V3;e=new JU.M3;n.cross(l,d);0.01>n.length()?e.m00=e.m11=e.m22=1:(n.normalize(),d=l.angle(d),e.setAA(JU.A4.newVA(n,d)));d=6.283185307179586/a*(0>c?-1:1);for(var n=new JU.V3,q=null,p=l=0,m=0,r=0==c?a:a+
1;m<r;m++){var s=new JU.P3;s.x=Math.cos(d*m)*g;s.y=Math.sin(d*m)*g;e.rotate(s);s.add(j);m<a&&k.addLast(s);if(!b&&0!=c&&0==m%c&&null!=q){n.sub2(s,q);var q=m<a?p++:0,x=JU.P3.newP(s);x.scaleAdd2(1,s,x);x.scaleAdd2(-1,j,x);k.addLast(x);h.addLast(R(-1,[l,p++,q,0]));l=q}else l=p++;q=s}return Q(-1,[k,h])},"~N,~N,~B,JU.P3,JU.V3");b.rotTransCart=d(b,"rotTransCart",function(a,c,b,e){b=JU.P3.newP(b);c.toFractional(b,!1);a.rotTrans(b);b.add(e);c.toCartesian(b,!1);return b},"JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.V3");
b.strCoord=d(b,"strCoord",function(a,c){JS.SymmetryDesc.approx0(a);return c?"("+a.x+" "+a.y+" "+a.z+")":JS.SymmetryOperation.fcoord(a," ")},"JU.T3,~B");b.approx0=d(b,"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");b.approx0d=d(b,"approx0d",function(a){return 1E-4>Math.abs(a)?0:a},"~N");d(b,"getSymmetryInfo",function(a,c,b,e,d,g,k,h,j,l,n,q,p,m){var r=0,s=JS.SymmetryDesc.nullReturn(l);switch(l){case 1073741994:return""+
b.getLatticeType();case 1073742001:r=1825200146;break;case 135176:r=135176;break;case 1275068418:switch(r=JS.SymmetryDesc.getType(j),r){case 1153433601:case 1073741961:case 1073742001:case 134217751:case 1086326789:case 36868:l=r;break;default:r=JS.SymmetryDesc.getKeyType(j)}}var x=JS.SymmetryDesc.getInfoBS(r),u=-2==q,t=d,y=d,S=1073742066==p&&(1153433601==l||134217751==l)?h:null;null!=S&&(h=null);var B=t=null,z=null;if(null==h){if(null==e){z=u?b.getAdditionalOperations():b.getSymmetryOperations();
if(null==z||Math.abs(d)>z.length||0==d)return s;t=Math.abs(d)-1;e=null==g?z[t].xyz:z[t].getxyzTrans(g);B=z[t].xyzOriginal}else t=d=0;var E=new JS.Symmetry;E.setSpaceGroup(!1);var A=null!=b&&b.isBio();h=A?E.addBioMoleculeOperation(b.getSpaceGroup().finalOperations[t],0>d):E.addSpaceGroupOperation((0>d?"!":"=")+e,Math.abs(d));if(0>h)return s;var w=E.getSpaceGroupOperation(h);m&&(w.iCoincident=z[t].iCoincident);u&&(w.isIrrelevant=z[t].isIrrelevant);null!=B&&(w.xyzOriginal=B);w.number=0==d?y:d;A||w.getCentering();
null==k&&0<=c&&(k=this.modelSet.at[c]);if(134217751==l||1153433601==l){if(A||null==k)return s;E.setUnitCell(b);JS.SymmetryDesc.ptemp.setT(k);b.toFractional(JS.SymmetryDesc.ptemp,!1);if(Float.isNaN(JS.SymmetryDesc.ptemp.x))return s;r=new JU.P3;E.newSpaceGroupPoint(JS.SymmetryDesc.ptemp,h,null,0,0,0,r);1073742066==p&&(b.unitize(r),r.add(S));E.toCartesian(r,!1);return 1153433601==l?this.getAtom(b,a,c,r):r}t=this.createInfoArray(w,b,k,null,null==j?"sym":j,n,p,null!=g,x,m,u);1275068418==l&&null!=j&&(r=
JS.SymmetryDesc.getKeyType(j))}else{u="info";S=!1;switch(l){case 1275068418:r=JS.SymmetryDesc.getKeyType(j);j=u=null;0==q&&(q=-1);break;case 1073742001:j=u=null;0==q&&(q=-1);S=!0;x.set(21);x.set(0);x.set(19);break;case 135176:null==j&&(j=m?"sg":"sym");u="all";S=!0;break;case 1153433601:j=u=null;default:0==q&&(q=1)}p=this.getSymopInfoForPoints(b,a,d,g,k,h,j,u,n,q,p,x);if(S)return p;if("string"==typeof p)return s;t=p;if(1153433601==l)return!X(k,"JM.Atom")&&!X(h,"JM.Atom")&&(c=-1),null==t?s:this.getAtom(b,
a,c,t[7])}if(null==t)return s;a=0<t.length&&X(t[0],Array);if(0>q&&0>=d&&null==e&&(1275068418==l||a)){1275068418==l&&(0<t.length&&!X(t[0],Array))&&(t=Q(-1,[t]));a=new JU.Lst;for(h=0;h<t.length;h++)a.addLast(JS.SymmetryDesc.getInfo(t[h],0>r?r:l));return a}if(0>r&&(0<=q||0<d||null!=e))l=r;0<q&&a&&(t=t[0]);135176==l&&(m&&-2==q)&&(l=134217764);return JS.SymmetryDesc.getInfo(t,l)},"~N,~N,J.api.SymmetryInterface,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~B");d(b,"getAtom",function(a,c,b,e){var d=null;0<=b&&
this.modelSet.getAtomBitsMDa(1094715402,Integer.$valueOf(this.modelSet.at[b].getElementNumber()),d=new JU.BS);b=new JU.BS;this.modelSet.getAtomsWithin(0.02,e,b,c);null!=d&&b.and(d);b.isEmpty()&&(e=JU.P3.newP(e),a.toUnitCell(e,null),a.toCartesian(e,!1),this.modelSet.getAtomsWithin(0.02,e,b,c),null!=d&&b.and(d));return b},"J.api.SymmetryInterface,~N,~N,JU.T3");d(b,"getSymopInfoForPoints",function(a,c,b,e,d,g,k,h,j,l,n,q){e=q.get(21)||q.get(3)&&3==q.cardinality();q.clear(21);var p=e?"":null;g=this.getSpaceGroupInfo(a,
c,null,b,d,g,k,j,l,!1,!0,n,null,q);if(null==g)return p;a=g.get("operations");if(null==a)return p;c=e?new JU.SB:null;b--;d=!e&&0>b;g=g.get("symmetryInfo");l="label".equals(h);for(j=h=0;j<a.length;j++)if(!(null==a[j]||0<=b&&b!=j))if(e){if(null!=k)return a[j][3]+"\nprint "+JU.PT.esc(g);0<c.length()&&c.appendC("\n");l||(0>b&&c.appendI(j+1).appendC("\t"),c.append(a[j][0]).appendC("\t"));c.append(a[j][2])}else{if(!d)return a[j];a[h++]=a[j]}if(!e){b=Array(h);for(j=0;j<h;j++)b[j]=a[j];return b}return 0==
c.length()?null!=k?'draw ID "'+k+'*" delete':p:c.toString()},"J.api.SymmetryInterface,~N,~N,JU.P3,JU.P3,JU.P3,~S,~S,~N,~N,~N,JU.BS");d(b,"getDrawID",function(a){return this.drawID+a+'" '},"~S");d(b,"getSymopInfo",function(a,c,b,e,d,g,k,h,j,l,n,q){0==h&&(h=JS.SymmetryDesc.getType(k));var p=1153433601==h?new JU.BS:"",m=0<=a?this.modelSet.at[a].mi:this.modelSet.vwr.am.cmi;if(0>m)return p;var r=this.modelSet.am[m].biosymmetry;if(null==r&&null==(r=this.modelSet.getUnitCell(m)))r=(new JS.Symmetry).setUnitCellFromParams(null,
!1,NaN);if(135176!=h||2147483647!=b&&null==q)return this.getSymmetryInfo(m,a,r,c,b,e,d,g,k,h,j,l,n,!1);if(null==r)return p;h="";b=null==c&&(0>l&&null==q)&&-2==l?r.getAdditionalOperations():r.getSymmetryOperations();if(null!=b)if(null==k&&(k="sg"),p=b.length,null!=d&&null==g||null!=q){null==q&&(q=r.getInvariantSymops(d,null));for(var p=q.length,s=0;s<p;s++)0<l&&l!=s+1||(b=q[s],h+=this.getSymmetryInfo(m,a,r,c,b,e,d,g,k+b,135176,j,l,n,null==d))}else for(b=1;b<=p;b++)h+=this.getSymmetryInfo(m,a,r,c,b,
e,d,g,k+b,135176,j,l,n,!0);return h},"~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");d(b,"getSpaceGroupInfo",function(a,c,b,e,d,g,k,h,j,l,n,q,p,m){null==m&&(m=new JU.BS,m.setBits(0,JS.SymmetryDesc.keys.length),m.clear(19));var r=1==m.cardinality()&&m.get(10),s=null,x=!r&&null==d&&null==k&&0>=j&&m.cardinality()>=JS.SymmetryDesc.keys.length,u=!1,t=null,y=null!=b&&0<b.length,A=y&&0<=b.indexOf("[--]");if(n||!y){var B=x&&0==e;if(r)p=a;else{0>c&&(c=X(d,"JM.Atom")?d.mi:this.modelSet.vwr.am.cmi);if(0>c)t=
"no single current model";else if(null==p&&!(u=null!=(p=this.modelSet.am[c].biosymmetry))&&null==(p=this.modelSet.getUnitCell(c)))t="not applicable";null!=t?(s=new java.util.Hashtable,s.put("spaceGroupInfo",""),s.put("spaceGroupNote",t),s.put("symmetryInfo","")):x&&(s=this.modelSet.getInfo(c,"spaceGroupInfo"));if(null!=s)return s;b=p.getSpaceGroupName()}var s=new java.util.Hashtable,t=p.getSymmetryOperations(),z=u?p.spaceGroup:null,x=A?"":null,E=0;if(null!=t){r||(u?a.setSpaceGroupTo(JS.SpaceGroup.getNull(!1,
!1,!1)):a.setSpaceGroup(!1));0!=t[0].timeReversal&&(a.getSpaceGroupOperation(0).timeReversal=1);for(var H=Array(t.length),w="",D=null==k||null==d||null==g&&0>j?0:1,C=0;D<t.length&&C!=j;D++){var F=t[D],K=F.xyzOriginal,I;if(r)I=D;else{I=!(0==D&&0<=F.xyz.indexOf("x4"))&&null!=a.getSpaceGroupOperation(D)?D:u?a.addBioMoleculeOperation(z.finalOperations[D],!1):a.addSpaceGroupOperation("="+F.xyz,D+1);if(0>I)continue;F=a.getSpaceGroupOperation(D);if(null==F)continue;F.xyzOriginal=K}null!=x&&(x+=";"+F.xyz);
F=0<e&&e-1!=I?null:this.createInfoArray(F,p,d,g,k,h,q,!1,m,!1,!1);if(null!=F&&(C++,!(0<j&&C!=j)&&(H[D]=F,r||(w+="\n"+(D+1)+(null!=k&&1==C?"*":"")+"\t"+F[m.get(19)?19:0]+"\t  "+F[2]),E++,0<e)))break}s.put("operations",H);r||s.put("symmetryInfo",0==w.length?"":w.substring(1))}if(r)return s;t=0==E?"\n no symmetry operations":0>=j&&0>=e?"\n"+E+" symmetry operation"+(1==E?":\n":"s:\n"):"";null!=x&&(b=x.substring(x.indexOf(";")+1));B&&this.modelSet.setInfo(c,"spaceGroupInfo",s)}else s=new java.util.Hashtable;
s.put("spaceGroupName",b);s.put("spaceGroupNote",null==t?"":t);if(u)a=b;else if(y&&!A&&a.setSpaceGroupName(b),a=a.getSpaceGroupInfoObj(b,null==p?null:p.getUnitCellParams(),l,!n),null==a||a.equals("?"))a="?",s.put("spaceGroupNote","could not identify space group from name: "+b+'\nformat: show spacegroup "2" or "P 2c" or "C m m m" or "x, y, z;-x ,-y, -z"');s.put("spaceGroupInfo",a);return s},"J.api.SymmetryInterface,~N,~S,~N,JU.P3,JU.P3,~S,~N,~N,~B,~B,~N,J.api.SymmetryInterface,JU.BS");d(b,"getTransform",
function(a,c,b,e,d){null==JS.SymmetryDesc.pta01&&(JS.SymmetryDesc.pta01=new JU.P3,JS.SymmetryDesc.pta02=new JU.P3,JS.SymmetryDesc.ptemp=new JU.P3,JS.SymmetryDesc.vtrans=new JU.V3);JS.SymmetryDesc.pta02.setT(e);JS.SymmetryDesc.vtrans.setT(JS.SymmetryDesc.pta02);a.unitize(JS.SymmetryDesc.pta02);e=3.4028235E38;for(var g=-1,k=0,h=c.length;k<h;k++){var j=c[k];JS.SymmetryDesc.pta01.setT(b);j.rotTrans(JS.SymmetryDesc.pta01);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);
var l=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);if(1.96E-6>l){JS.SymmetryDesc.vtrans.sub(JS.SymmetryDesc.ptemp);JS.SymmetryOperation.normalize12ths(JS.SymmetryDesc.vtrans);j=JU.M4.newM4(j);j.add(JS.SymmetryDesc.vtrans);JS.SymmetryDesc.pta01.setT(b);j.rotTrans(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);l=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);if(1.96E-6<=l)continue;return j}l<e&&(e=l,g=k)}d&&(j=c[g],JS.SymmetryDesc.pta01.setT(b),j.rotTrans(JS.SymmetryDesc.pta01),
a.unitize(JS.SymmetryDesc.pta01));return null},"JS.UnitCell,~A,JU.P3,JU.P3,~B");b.keys=Q(-1,["xyz","xyzOriginal","label",null,"fractionalTranslation","cartesianTranslation","inversionCenter",null,"axisVector","rotationAngle","matrix","unitTranslation","centeringVector","timeReversal","plane","_type","id","cif2","xyzCanonical","xyzNormalized"]);b.ptemp=new JU.P3;b.ptemp2=new JU.P3;b.pta01=new JU.P3;b.pta02=new JU.P3;b.vtrans=new JU.V3});Y("JS");ba(["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 b=P(function(){this.moreInfo=null;this.name="";this.fractionalOffset=this.vertices=null;this.allFractionalRelative=!1;this.f2c=this.unitCellMultiplied=this.unitCellMultiplier=this.cartesianOffset=null;O(this,arguments)},JS,"UnitCell",JU.SimpleUnitCell,Cloneable);ca(b,function(){this.cartesianOffset=new JU.P3});b.fromOABC=d(b,"fromOABC",function(a,c){var b=new JS.UnitCell;
3==a.length&&(a=Q(-1,[new JU.P3,a[0],a[1],a[2]]));var e=H(-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]);b.init(e);b.allFractionalRelative=c;b.initUnitcellVertices();b.setCartesianOffset(a[0]);return b},"~A,~B");b.fromParams=d(b,"fromParams",function(a,c,b){var e=new JS.UnitCell;e.init(a);e.initUnitcellVertices();e.allFractionalRelative=c;e.setPrecision(b);26<a.length&&(a[26]=b);return e},"~A,~B,~N");b.cloneUnitCell=d(b,"cloneUnitCell",function(a){var c=null;try{c=
a.clone()}catch(b){if(!I(b,"CloneNotSupportedException"))throw b;}return c},"JS.UnitCell");d(b,"checkDistance",function(a,c,b,e,d,g,k,h){a=JU.P3.newP(a);this.toCartesian(a,!0);for(var j=-d;j<=d;j++)for(var l=-g;l<=g;l++)for(var n=-k;n<=k;n++){h.set(c.x+j,c.y+l,c.z+n);this.toCartesian(h,!0);var q=a.distance(h);if(0<e?Math.abs(q-b)<=e:q<=b&&0.1<q)return h.set(j,l,n),!0}return!1},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");d(b,"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");d(b,"dumpInfo",function(a,c){var b=c?this.getUnitCellMultiplied():this;return b!==this?b.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");d(b,"fix000",function(a){return 0.001>Math.abs(a)?0:a},"~N");d(b,"fixFloor",function(a){return 1==a?0:a},"~N");d(b,"getCanonicalCopy",function(a,c){var b=this.getScaledCell(c);return JU.BoxInfo.getCanonicalCopy(b,a)},"~N,~B");d(b,"getCanonicalCopyTrimmed",function(a,c){var b=this.getScaledCellMult(a,!0);return JU.BoxInfo.getCanonicalCopy(b,c)},"JU.P3,~N");d(b,"getCartesianOffset",function(){return this.cartesianOffset});d(b,"getCellWeight",function(a){var c=
1;if(a.x<=this.slop||a.x>=1-this.slop)c/=2;if(a.y<=this.slop||a.y>=1-this.slop)c/=2;if(a.z<=this.slop||a.z>=1-this.slop)c/=2;return c},"JU.P3");d(b,"getConventionalUnitCell",function(a,c){var b=this.getUnitCellVectors();(!a.equals("P")||null!=c)&&this.toFromPrimitive(!1,a.charAt(0),b,c);return b},"~S,JU.M3");d(b,"getEquivPoints",function(a,c,b,e,d,g,k){var h=0<=c.indexOf("fromfractional"),j=0<=c.indexOf("tofractional");c=0<=c.indexOf("packed");null==e&&(e=new JU.Lst);a=JU.P3.newP(a);h||this.toFractional(a,
!0);for(var h=e.size(),l=0,n=b.length;l<n;l++){var q=JU.P3.newP(a);b[l].rotTrans(q);q.x=this.fixFloor(q.x-Math.floor(q.x));q.y=this.fixFloor(q.y-Math.floor(q.y));q.z=this.fixFloor(q.z-Math.floor(q.z));e.addLast(q);h++}if(c)for(l=g;l<h;l++)a.setT(e.get(l)),this.unitizeRnd(a),0==a.x&&(e.addLast(JU.P3.new3(0,a.y,a.z)),e.addLast(JU.P3.new3(1,a.y,a.z)),0==a.y&&(e.addLast(JU.P3.new3(1,1,a.z)),e.addLast(JU.P3.new3(0,0,a.z)),0==a.z&&(e.addLast(JU.P3.new3(1,1,1)),e.addLast(JU.P3.new3(0,0,0))))),0==a.y&&(e.addLast(JU.P3.new3(a.x,
0,a.z)),e.addLast(JU.P3.new3(a.x,1,a.z)),0==a.z&&(e.addLast(JU.P3.new3(a.x,0,0)),e.addLast(JU.P3.new3(a.x,1,1)))),0==a.z&&(e.addLast(JU.P3.new3(a.x,a.y,0)),e.addLast(JU.P3.new3(a.x,a.y,1)),0==a.x&&(e.addLast(JU.P3.new3(0,a.y,0)),e.addLast(JU.P3.new3(1,a.y,1))));JS.UnitCell.removeDuplicates(e,d,k,-1);if(!j)for(l=e.size();--l>=g;)this.toCartesian(e.get(l),!0);return e},"JU.P3,~S,~A,JU.Lst,~N,~N,~N");d(b,"getFractionalOffset",function(){return this.fractionalOffset});d(b,"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",Double.$valueOf(this.volume));a.put("matFtoC",this.matrixFractionalToCartesian);a.put("matCtoF",this.matrixCartesianToFractional);return a});d(b,"getQuaternionRotation",function(a){var c=JU.V3.newVsub(this.vertices[4],this.vertices[0]),b=JU.V3.newVsub(this.vertices[2],this.vertices[0]),e=JU.V3.newVsub(this.vertices[1],this.vertices[0]),d=new JU.P3,g=new JU.P3,
k="-"==a.charAt(0)?-1:1;0>k&&(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 j=(h=!h.equals(a))?1:0;2==a.length&&(j=a.charAt(1).charCodeAt(0)-48,a=a.substring(0,1));var l=0==j%2;switch("abcABCDEF".indexOf(a)){case 7:k=-k;case 4:c.cross(e,b),j=(5-j)%4+1;default:a=c;c=e;break;case 8:k=-k;case 5:k=-k,b.cross(e,c),j=(2+j)%4+1;case 1:a=b;b=e;k=-k;break;case 3:k=-k;case 6:e.cross(c,b),l&&(j=6-j);case 2:a=
e,!h&&0<j&&(j=5-j)}0<j&&0<k!=l&&(c=b,a.scale(-1));switch(j){case 2:a.scale(-1);c.scale(-1);break;case 3:c.scale(-1);break;case 4:a.scale(-1)}d.cross(a,c);g.cross(d,a);return JU.Quat.getQuaternionFrame(null,g,d).inv()},"~S");d(b,"getScaledCell",function(a){return this.getScaledCellMult(null,a)},"~B");d(b,"getScaledCellMult",function(a,c){var b=Array(8),e=null,d=null,g=null!=a;g||(a=this.unitCellMultiplier);c&&(null!=a&&0==a.z)&&(e=new JU.P3,d=new JU.P3,JU.SimpleUnitCell.ijkToPoint3f(y(a.x),e,0,0),
JU.SimpleUnitCell.ijkToPoint3f(y(a.y),d,0,0),d.sub(e));for(var k=g||null==a||0==a.z?1:Math.abs(a.z),h=0;8>h;h++){var j=b[h]=JU.P3.newP(JU.BoxInfo.unitCubePoints[h]);null!=e?b[h].add3(e.x+d.x*j.x,e.y+d.y*j.y,e.z+d.z*j.z):g&&j.scaleT(a);b[h].scale(k);this.matrixFractionalToCartesian.rotTrans(j);c||j.sub(this.cartesianOffset)}return b},"JU.T3,~B");d(b,"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});d(b,"getTensor",function(a,c){var b=J.api.Interface.getUtil("Tensor",a,"file");if(0==c[0]&&0==c[1]&&0==c[2]){var e=c[7],d=H(-1,[e,e,e]);return b.setFromEigenVectors(JS.UnitCell.unitVectors,d,"iso","Uiso="+e,null)}b.parBorU=c;var e=ua(6,0),g=y(c[6]);if(12==g)e[0]=19.739208802178716*c[0],e[1]=19.739208802178716*c[1],e[2]=19.739208802178716*c[2],e[3]=39.47841760435743*
c[3],e[4]=39.47841760435743*c[4],e[5]=39.47841760435743*c[5],c[7]=(c[0]+c[1]+c[3])/3;else{var d=4==g||5==g||8==g||9==g,k=2-g%2,h=8==g||9==g||10==g?19.739208802178716:4==g||5==g?0.25:2==g||3==g?Math.log(2):1,g=c[0]*h*(d?this.a_*this.a_:1),j=c[1]*h*(d?this.b_*this.b_:1),l=c[2]*h*(d?this.c_*this.c_:1),n=c[3]*h*(d?this.a_*this.b_:1)*k,q=c[4]*h*(d?this.a_*this.c_:1)*k,d=c[5]*h*(d?this.b_*this.c_:1)*k;c[7]=Math.pow(g/19.739208802178716/this.a_/this.a_*j/19.739208802178716/this.b_/this.b_*l/19.739208802178716/
this.c_/this.c_,0.3333);e[0]=this.a*this.a*g+this.b*this.b*this.cosGamma*this.cosGamma*j+this.c*this.c*this.cosBeta*this.cosBeta*l+this.a*this.b*this.cosGamma*n+this.b*this.c*this.cosGamma*this.cosBeta*d+this.a*this.c*this.cosBeta*q;e[1]=this.b*this.b*this.sinGamma*this.sinGamma*j+this.c*this.c*this.cA_*this.cA_*l+this.b*this.c*this.cA_*this.sinGamma*d;e[2]=this.c*this.c*this.cB_*this.cB_*l;e[3]=2*this.b*this.b*this.cosGamma*this.sinGamma*j+2*this.c*this.c*this.cA_*this.cosBeta*l+this.a*this.b*this.sinGamma*
n+this.b*this.c*(this.cA_*this.cosGamma+this.sinGamma*this.cosBeta)*d+this.a*this.c*this.cA_*q;e[4]=2*this.c*this.c*this.cB_*this.cosBeta*l+this.b*this.c*this.cosGamma*d+this.a*this.c*this.cB_*q;e[5]=2*this.c*this.c*this.cA_*this.cB_*l+this.b*this.c*this.cB_*this.sinGamma*d}return b.setFromThermalEquation(e,JU.Escape.eAF(c))},"JV.Viewer,~A");d(b,"getUnitCellMultiplied",function(){if(null==this.unitCellMultiplier||0<this.unitCellMultiplier.z&&this.unitCellMultiplier.z==y(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});d(b,"getUnitCellMultiplier",function(){return this.unitCellMultiplier});d(b,"isStandard",function(){return null==this.unitCellMultiplier||this.unitCellMultiplier.x==this.unitCellMultiplier.y});d(b,"getUnitCellVectors",function(){var a=this.matrixFractionalToCartesian;return Q(-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))])});b.toTrm=d(b,"toTrm",function(a,c){null==c&&(c=new JU.M4);JS.UnitCell.getMatrixAndUnitCell(null,a,c);return c},"~S,JU.M4");b.getMatrixAndUnitCell=d(b,"getMatrixAndUnitCell",function(a,c,b){null==c&&(c="a,b,c");var e,d=Array(4),g=d[0]=JU.P3.new3(0,0,0);d[1]=JU.P3.new3(1,0,0);d[2]=JU.P3.new3(0,1,0);d[3]=JU.P3.new3(0,0,1);
var k=new JU.M3;if(JU.AU.isAD(c))return JU.SimpleUnitCell.setAbcFromParams(c,d);if("string"==typeof c){var h,j=null;if(0==c.indexOf("a="))return JU.SimpleUnitCell.setAbc(c,null,d);if(0<c.indexOf(">")){if(null!=a||null==b)return null;a=c.$plit(">");b.setIdentity();g=new JU.M4;for(e=a.length;0<=--e;)JS.UnitCell.getMatrixAndUnitCell(null,a[e],g),b.mul2(g,b);return d}e=Array(1);var l=c.indexOf(";");0<=l?(h=c.substring(l+1).trim(),c=c.substring(0,l),e[0]=c,j=JS.UnitCell.fixABC(e),c!==e[0]&&(c=e[0])):c.equals("a,b,c")?
h=null:(e[0]=c,h=JS.UnitCell.fixABC(e),c=e[0]);for(c+=";0,0,0";c.startsWith("!!");)c=c.substring(2);(l=c.startsWith("!"))&&(c=c.substring(1));c.equals("r;0,0,0")?c="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"+c.substring(1):c.equals("h;0,0,0")&&(c="a-b,b-c,a+b+c"+c.substring(1));var n=new JS.Symmetry;n.setSpaceGroup(!1);e=n.addSpaceGroupOperation("="+c,0);if(0>e)return null;e=n.getSpaceGroupOperation(e);e.doFinalize();n=new JU.P3;JS.UnitCell.addTrans(h,n);JS.UnitCell.addTrans(j,n);e.setTranslation(n);
0<=c.indexOf("c")&&e.transpose33();l&&e.invert();null!=b&&b.setM4(e);if(null==a)return d}else{if(null!=b||null==a)return null;if(X(c,"JU.M3"))e=JU.M4.newMV(c,new JU.P3);else if(X(c,"JU.M4"))e=c;else{e=c[0];e.getRotationScale(k);e.rotTrans(g);a.toCartesian(g,!1);for(e=1;4>e;e++)k.rotate(d[e]),a.toCartesian(d[e],!0);return d}}e.getRotationScale(k);e.getTranslation(g);a.toCartesian(g,!1);for(e=1;4>e;e++)k.rotate(d[e]),a.toCartesian(d[e],!0);return d},"JU.SimpleUnitCell,~O,JU.M4");b.addTrans=d(b,"addTrans",
function(a,c){if(null!=a){var b=JU.PT.split(a,","),e=H(3,0);if(3==b.length)for(var d=0;3>d;d++){var g=b[d],k=g.indexOf("/");e[d]=0<=k?JU.PT.parseFloat(g.substring(0,k))/JU.PT.parseFloat(g.substring(k+1)):JU.PT.parseFloat(g)}c.add3(e[0],e[1],e[2])}},"~S,JU.P3");b.fixABC=d(b,"fixABC",function(a){var c=JU.PT.split(a[0],",");if(3!=c.length)return null;for(var b="",e="",d=!1,g=0;3>g;g++){var k=c[g],h,j=0;for(h=k.length;0<=--h;){var l=k.charAt(h);switch(l.charCodeAt(0)){default:"a"<=l&&(h=0);break;case 43:j=
1;case 45:h=-h}}h=-1-h;0==h?(b+=",0",e+=","+k):(d=!0,b+=","+k.substring(h+j),e+=","+k.substring(0,h))}a[0]=e.substring(1);return d?b.substring(1):null},"~A");d(b,"getVertices",function(){return this.vertices});d(b,"hasOffset",function(){return null!=this.fractionalOffset&&0!=this.fractionalOffset.lengthSquared()});d(b,"initOrientation",function(a){if(null!=a){var c=new JU.M4;c.setToM3(a);this.matrixFractionalToCartesian.mul2(c,this.matrixFractionalToCartesian);this.matrixCartesianToFractional.setM4(this.matrixFractionalToCartesian).invert();
this.initUnitcellVertices()}},"JU.M3");d(b,"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)}});d(b,"isSameAs",function(a){if(null==a)return!1;for(var c=this.getF2C(),b=0;3>b;b++)for(var e=0;4>
e;e++)if(!JU.SimpleUnitCell.approx0(c[b][e]-a[b][e]))return!1;return!0},"~A");d(b,"getF2C",function(){if(null==this.f2c){this.f2c=H(3,4,0);for(var a=0;3>a;a++)this.matrixFractionalToCartesian.getRow(a,this.f2c[a])}return this.f2c});d(b,"isWithinUnitCell",function(a,c,b,e){switch(this.dimension){case 3:if(e.z<b-1-this.slop||e.z>b+this.slop)return!1;case 2:if(e.y<c-1-this.slop||e.y>c+this.slop)return!1;case 1:if(e.x<a-1-this.slop||e.x>a+this.slop)return!1}return!0},"~N,~N,~N,JU.P3");d(b,"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");d(b,"setOffset",function(a){if(null!=a){this.unitCellMultiplied=null;var c=X(a,"JU.T4")?a:null,b=null==c?1.4E-45:c.w,e=999999<b;if(null!=c?0>=b||e:100<=a.x||100<=a.y)if(this.unitCellMultiplier=0==a.z&&a.x==a.y&&!e?null:
e?JU.P4.newPt(c):JU.P3.newP(a),this.unitCellMultiplied=null,null==c||0==c.w||e)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");d(b,"toFromPrimitive",function(a,c,b,e){var d=b.length-3,g=null;if("r"==c||null==e){switch(c.charCodeAt(0)){default:return!1;case 114:return JU.SimpleUnitCell.getReciprocal(b,b,1),!0;case 80:a=!0;g=JU.M3.newA9(H(-1,[1,0,0,0,1,0,0,0,1]));break;case 65:g=JU.M3.newA9(H(-1,[1,0,0,0,0.5,0.5,0,-0.5,0.5]));
break;case 66:g=JU.M3.newA9(H(-1,[0.5,0,0.5,0,1,0,-0.5,0,0.5]));break;case 67:g=JU.M3.newA9(H(-1,[0.5,0.5,0,-0.5,0.5,0,0,0,1]));break;case 82:g=JU.M3.newA9(H(-1,[0.6666667,-0.33333334,-0.33333334,0.33333334,0.33333334,-0.6666667,0.33333334,0.33333334,0.33333334]));break;case 73:g=JU.M3.newA9(H(-1,[-0.5,0.5,0.5,0.5,-0.5,0.5,0.5,0.5,-0.5]));break;case 70:g=JU.M3.newA9(H(-1,[0,0.5,0.5,0.5,0,0.5,0.5,0.5,0]))}a||g.invert()}else g=JU.M3.newM3(e),a&&g.invert();for(a=b.length;--a>=d;)c=b[a],this.toFractional(c,
!0),g.rotate(c),this.toCartesian(c,!0);return!0},"~B,~S,~A,JU.M3");d(b,"toUnitCell",function(a,c){null!=this.matrixCartesianToFractional&&(null==c?(this.matrixCartesianToFractional.rotTrans(a),this.unitize(a),this.matrixFractionalToCartesian.rotTrans(a)):(this.matrixCtoFNoOffset.rotTrans(a),this.unitize(a),a.add(c),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");d(b,"toUnitCellRnd",function(a,c){null!=this.matrixCartesianToFractional&&(null==c?(this.matrixCartesianToFractional.rotTrans(a),this.unitizeRnd(a),
this.matrixFractionalToCartesian.rotTrans(a)):(this.matrixCtoFNoOffset.rotTrans(a),this.unitizeRnd(a),a.add(c),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");d(b,"unitize",function(a){this.unitizeDim(this.dimension,a)},"JU.T3");d(b,"unitizeRnd",function(a){JU.SimpleUnitCell.unitizeDimRnd(this.dimension,a,this.slop)},"JU.T3");b.createCompatibleUnitCell=d(b,"createCompatibleUnitCell",function(a,c,b,e){null==b&&(b=c);var d=c[0],g=c[1],k=c[2],h=c[3],j=c[4],l=c[5],n=null==a||null==a.itaNumber?0:
JU.PT.parseInt(a.itaNumber),q=0!=n&&JS.UnitCell.isHexagonalSG(n,null),p=q&&JS.UnitCell.isHexagonalSG(-1,c),m=0!=n&&"r"==a.axisChoice,r=m&&JU.SimpleUnitCell.isRhombohedral(c);if(q&&p||m&&r)e=!0;if(n>(e?2:0)){var s=JU.SimpleUnitCell.approx0(d-g),s=JU.SimpleUnitCell.approx0(g-k),s=JU.SimpleUnitCell.approx0(k-d),x=JU.SimpleUnitCell.approx0(h-j),u=JU.SimpleUnitCell.approx0(j-l),t=JU.SimpleUnitCell.approx0(l-h);e||(d>g&&(x=d,d=g,g=x),(s=JU.SimpleUnitCell.approx0(g-k))&&(k=1.5*g),(s=JU.SimpleUnitCell.approx0(d-
g))&&(g=1.2*d),(s=JU.SimpleUnitCell.approx0(k-d))&&(k=1.1*d),JU.SimpleUnitCell.approx0(h-90)&&(h=80),JU.SimpleUnitCell.approx0(j-90)&&(j=100),JU.SimpleUnitCell.approx0(l-90)&&(l=110),h>j&&(x=h,h=j,j=x),x=JU.SimpleUnitCell.approx0(h-j),u=JU.SimpleUnitCell.approx0(j-l),t=JU.SimpleUnitCell.approx0(l-h),x&&(j=1.2*h),u&&(l=1.3*j),t&&(l=1.4*h));if(q){if(!(m?r:p))"r"==a.axisChoice?(k=g=d,!e&&(85<h&&95>h)&&(h=80),l=j=h):(g=d,h=j=90,l=120)}else if(195<=n)k=g=d,h=j=l=90;else if(75<=n)g=d,s&&!e&&(k=1.5*d),h=
j=l=90;else if(16<=n)h=j=l=90;else if(3<=n)switch(a.uniqueAxis.charCodeAt(0)){case 97:j=l=90;break;default:case 98:h=l=90;break;case 99:h=j=90}}a=!(d==c[0]&&g==c[1]&&k==c[2]&&h==c[3]&&j==c[4]&&l==c[5]);b[0]=d;b[1]=g;b[2]=k;b[3]=h;b[4]=j;b[5]=l;return a},"JS.SpaceGroup,~A,~A,~B");b.isHexagonalSG=d(b,"isHexagonalSG",function(a,c){return 1>a?JU.SimpleUnitCell.isHexagonal(c):143<=a&&194>=a},"~N,~A");b.isMonoclinicSG=d(b,"isMonoclinicSG",function(a){return 3<=a&&15>=a},"~N");b.isTetragonalSG=d(b,"isTetragonalSG",
function(a){return 75<=a&&142>=a},"~N");b.isPolarSG=d(b,"isPolarSG",function(a){return 1==a||3<=a&&5>=a||6<=a&&9>=a||25<=a&&46>=a||75<=a&&80>=a||99<=a&&110>=a||143<=a&&146>=a||156<=a&&161>=a||168<=a&&173>=a||183<=a&&186>=a},"~N");b.removeDuplicates=d(b,"removeDuplicates",function(a,c,b,e){for(0>e&&(e=a.size());c<e;c++)for(var d=a.get(c),g=Math.max(c+1,b);g<e;g++)1.96E-6>a.get(g).distanceSquared(d)&&(a.removeItemAt(g),e--,g--)},"JU.Lst,~N,~N,~N");b.unitVectors=Q(-1,[JV.JC.axisX,JV.JC.axisY,JV.JC.axisZ])});
Y("JS");ba(["J.api.AtomIndexIterator"],"JS.UnitCellIterator","JU.Lst $.P3 $.P3i JU.BoxInfo $.Logger $.Point3fi".split(" "),function(){var b=P(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;O(this,arguments)},JS,"UnitCellIterator",null,J.api.AtomIndexIterator);d(b,"set",function(a,c,b,e,d){this.unitCell=a;this.atoms=
b;this.addAtoms(e);this.p=new JU.P3;0<d&&this.setCenter(c,d);return this},"J.api.SymmetryInterface,JM.Atom,~A,JU.BS,~N");m(b,"setModel",function(){},"JM.ModelSet,~N,~N,~N,JU.T3,~N,J.atomdata.RadiusData");m(b,"setCenter",function(a,c){if(0!=c){this.maxDistance2=c*c;this.center=a;this.translation=new JU.P3;var b=JU.BoxInfo.unitCubePoints,e=JU.P3.new3(3.4028235E38,3.4028235E38,3.4028235E38),d=JU.P3.new3(-3.4028235E38,-3.4028235E38,-3.4028235E38);this.p=new JU.P3;var g=new JU.P3;g.setT(a);this.unitCell.toFractional(g,
!0);for(g=0;8>g;g++)this.p.scaleAdd2(-2,b[g],b[7]),this.p.scaleAdd2(c,this.p,a),this.unitCell.toFractional(this.p,!0),e.x>this.p.x&&(e.x=this.p.x),d.x<this.p.x&&(d.x=this.p.x),e.y>this.p.y&&(e.y=this.p.y),d.y<this.p.y&&(d.y=this.p.y),e.z>this.p.z&&(e.z=this.p.z),d.z<this.p.z&&(d.z=this.p.z);this.minXYZ=JU.P3i.new3(A(Math.floor(e.x)),A(Math.floor(e.y)),A(Math.floor(e.z)));this.maxXYZ=JU.P3i.new3(A(Math.ceil(d.x)),A(Math.ceil(d.y)),A(Math.ceil(d.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");m(b,"addAtoms",function(a){this.done=null==a;if(!this.done){this.unitList=new JU.Lst;for(var c="",b=this.unitCell.getSymmetryOperations(),e=b.length,d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))for(var g=this.atoms[d],k=0;k<e;k++){var h=new JU.P3;h.setT(g);0<k?(this.unitCell.toFractional(h,!1),b[k].rotTrans(h),this.unitCell.unitize(h),this.unitCell.toCartesian(h,!1)):this.unitCell.toUnitCell(h,
null);var j="_"+y(100*h.x)+"_"+y(100*h.y)+"_"+y(100*h.z)+"_";0<=c.indexOf(j)||(c+=j,this.unitList.addLast(Q(-1,[g,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");m(b,"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});d(b,"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});m(b,"next",function(){return this.done||0>this.ipt?-1:this.getAtom().i});d(b,"getAtom",function(){return this.unitList.get(this.listPt)[0]});
m(b,"foundDistance2",function(){return 0<this.nFound?this.distance2:3.4028235E38});m(b,"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 c=new JU.Point3fi;c.setT(this.p);c.i=a.i;c.sD=a.getElementNumber();return c});m(b,"release",function(){this.translation=this.center=this.atoms=null})});Y("JS");ba(["java.util.Hashtable","JU.P3","$.V3"],"JS.WyckoffFinder","JU.JSJSONParser $.M4 $.Measure $.P4 $.PT $.Rdr $.SB JS.SpaceGroup $.SymmetryOperation JV.FileManager".split(" "),
function(){var b=P(function(){this.positions=null;this.ncent=this.npos=0;this.gpos=this.centeringStr=this.centerings=null;O(this,arguments)},JS,"WyckoffFinder",null);K(b,function(a){if(null!=a&&(this.gpos=a.get("gp"),a=a.get("wpos"),this.positions=a.get("pos"),this.npos=this.positions.size(),a=a.get("cent"),null!=a)){this.ncent=a.size();this.centeringStr=Array(this.ncent);this.centerings=Array(this.ncent);for(var b=this.ncent;0<=--b;){var e=a.get(b);this.centeringStr[b]=e;this.centerings[b]=JS.SymmetryOperation.toPoint(e,
null)}}},"java.util.Map");d(b,"getWyckoffFinder",function(a,b){var e=b.getClegId(),d=JS.WyckoffFinder.helpers.get(e);null==d&&(d=JS.WyckoffFinder.createHelper(this,a,e));null==d&&(null==JS.WyckoffFinder.nullHelper&&(JS.WyckoffFinder.nullHelper=new JS.WyckoffFinder(null)),JS.WyckoffFinder.helpers.put(e,JS.WyckoffFinder.nullHelper));return d},"JV.Viewer,JS.SpaceGroup");d(b,"findPositionFor",function(a,b){if(null!=this.positions)for(var e=b.equals("G"),d=e?1:this.npos;0<=--d;){var g=this.positions.get(d),
k=g.get("label");if(e||k.equals(b))return e=g.get("coord"),null!=e&&JS.WyckoffFinder.getWyckoffCoord(e,0,k).project(a),a}return null},"JU.P3,~S");d(b,"getInfo",function(a,b,e,d){a=this.createInfo(a,b,e,d);return null==a?"?":a},"JS.UnitCell,JU.P3,~N,~B");b.wrap=d(b,"wrap",function(a,b){return b.appendC("(").append(a).appendC(")")},"~S,JU.SB");d(b,"createInfo",function(a,b,e,d){switch(e){case 83:return this.getCenteringStr(-1," ",null).toString().trim();case 67:d=Array(this.centerings.length);for(var g=
d.length;0<=--g;)d[g]=this.centerings[g];return d;case 42:var k=new JU.SB;this.getCenteringStr(-1,"+",k);for(g=this.npos;0<=--g;){var h=this.positions.get(g),j=(d?""+h.get("mult"):"")+h.get("label");k.appendC("\n").append(j);JS.WyckoffFinder.getList(0==g?this.gpos:h.get("coord"),j,k,0==g?this.ncent:0)}return k.toString();case -1:case -2:case -3:for(g=this.npos;0<=--g;){h=this.positions.get(g);j=(d?""+h.get("mult"):"")+h.get("label");if(0==g)switch(e){case -1:return j;case -2:return"(x,y,z)";case -3:return e=
new JU.SB,e.append(j).appendC(" "),this.getCenteringStr(-1,"+",e).appendC(" "),JS.WyckoffFinder.getList(this.gpos,j,e,this.ncent),e.toString()}for(var k=h.get("coord"),h=0,l=k.size();h<l;h++){var n=JS.WyckoffFinder.getWyckoffCoord(k,h,j);if(n.contains(this,a,b))switch(e){case -1:return j;case -2:return n.asString(null,!0).toString();case -3:return e=new JU.SB,e.append(j).appendC(" "),this.getCenteringStr(-1,"+",e).appendC(" "),JS.WyckoffFinder.getList(k,j,e,0),e.toString()}}}break;default:b=""+String.fromCharCode(e);
k=71==e;a=new JU.P3;for(g=k?1:this.npos;0<=--g;)if(h=this.positions.get(g),j=h.get("label"),k||j.equals(b)){e=new JU.SB;k&&e.append(j).appendC(" ");k=0==g?this.gpos:h.get("coord");JS.WyckoffFinder.getList(k,(d?h.get("mult"):"")+b,e,0);if(0<g&&0<this.ncent){g=new JU.M4;for(d=0;d<this.ncent;d++)this.addCentering(k,this.centerings[d],g,a,e)}return e.toString()}}return null},"JS.UnitCell,JU.P3,~N,~B");b.createHelper=d(b,"createHelper",function(a,b,d){var m=d.indexOf(":"),m=JU.PT.parseInt(0>m?d:d.substring(0,
m));if(1<=m&&230>=m&&(a=JS.WyckoffFinder.getResource(a,b,"ita_"+m+".json"),null!=a)){a=a.get("its");b=null;for(var g=!1,k=0,h=a.size();k<h;k++)if(b=a.get(k),d.equals(b.get("clegId"))){g=!0;break}if(!g||b.containsKey("more"))b=JS.SpaceGroup.fillMoreData(b,d,m,a.get(0));m=new JS.WyckoffFinder(b);JS.WyckoffFinder.helpers.put(d,m);return m}return null},"~O,JV.Viewer,~S");d(b,"getCenteringStr",function(a,b,d){null==d&&(d=new JU.SB);if(0==this.ncent)return d;if(0<=a)return d.appendC(b),JS.WyckoffFinder.wrap(this.centeringStr[a],
d);for(a=0;a<this.ncent;a++)d.appendC(b),JS.WyckoffFinder.wrap(this.centeringStr[a],d);return d},"~N,~S,JU.SB");b.getList=d(b,"getList",function(a,b,d,m){null==d&&(d=new JU.SB);m=0==m?a.size():A(a.size()/(m+1));for(var g=0;g<m;g++){var k=JS.WyckoffFinder.getWyckoffCoord(a,g,b);d.append(" ");k.asString(d,!1)}return d},"JU.Lst,~S,JU.SB,~N");d(b,"addCentering",function(a,b,d,m,g){for(var k=a.size(),h=0;h<k;h++){var j=a.get(h);g.append(" ");j.asStringCentered(b,d,m,g)}},"JU.Lst,JU.P3,JU.M4,JU.P3,JU.SB");
b.getWyckoffCoord=d(b,"getWyckoffCoord",function(a,b,d){var m=a.get(b);"string"==typeof m&&a.set(b,m=new JS.WyckoffFinder.WyckoffCoord(m,d));return m},"JU.Lst,~N,~S");b.getResource=d(b,"getResource",function(a,b,d){try{var m=JV.FileManager.getBufferedReaderForResource(b,a,"JS/","sg/json/"+d),g=Array(1);if(JU.Rdr.readAllAsString(m,2147483647,!1,g,0))return(new JU.JSJSONParser).parse(g[0],!0)}catch(k){System.err.println(k.getMessage())}return null},"~O,JV.Viewer,~S");var a=P(function(){this.type=0;
this.label=this.xyz=null;this.thisCentering="";this.plane=this.line=this.point=this.op=null;O(this,arguments)},JS.WyckoffFinder,"WyckoffCoord",null);K(a,function(a,b){this.xyz=a;this.label=b;this.create(a)},"~S,~S");d(a,"asStringCentered",function(a,b,d,m){b.setM4(this.op);b.add(a);b.getTranslation(d);d.x%=1;d.y%=1;d.z%=1;b.setTranslation(d);m.appendC(" ");a=","+JS.SymmetryOperation.getXYZFromMatrixFrac(b,!1,!0,!1,!0)+",";a=JU.PT.rep(a,",,",",0,");a=JU.PT.rep(a,",+",",");m.appendC("(").append(a.substring(1,
a.length-1)).appendC(")")},"JU.P3,JU.M4,JU.P3,JU.SB");d(a,"contains",function(a,b,d){var m=b.getPrecision();this.thisCentering=null;if(this.checkLatticePt(d,m))return!0;if(null==a.centerings)return!1;for(var g=a.centerings.length;0<=--g;)if(JS.WyckoffFinder.WyckoffCoord.pc.add2(d,a.centerings[g]),b.unitize(JS.WyckoffFinder.WyckoffCoord.pc),this.checkLatticePt(JS.WyckoffFinder.WyckoffCoord.pc,m))return this.thisCentering=a.centeringStr[g],!0;return!1},"JS.WyckoffFinder,JS.UnitCell,JU.P3");d(a,"project",
function(a){switch(this.type){case 1:a.setT(this.point);break;case 2:JU.Measure.projectOntoAxis(a,this.point,this.line,JS.WyckoffFinder.WyckoffCoord.vt);break;case 3:JU.Measure.getPlaneProjection(a,this.plane,JS.WyckoffFinder.WyckoffCoord.vt,JS.WyckoffFinder.WyckoffCoord.vt),a.setT(JS.WyckoffFinder.WyckoffCoord.vt)}},"JU.P3");d(a,"asString",function(a,b){null==a&&(a=new JU.SB);JS.WyckoffFinder.wrap(this.xyz,a);b&&null!=this.thisCentering&&(a.appendC("+"),JS.WyckoffFinder.wrap(this.thisCentering,a));
return a},"JU.SB,~B");d(a,"checkLatticePt",function(a,b){if(this.checkPoint(a,b))return!0;for(var d=62,m=-2;3>m;m++)for(var g=-2;3>g;g++)for(var k=-2;3>k;k++,d--)if(0!=d&&(JS.WyckoffFinder.WyckoffCoord.p3.set(m,g,k),JS.WyckoffFinder.WyckoffCoord.p3.add(a),this.checkPoint(JS.WyckoffFinder.WyckoffCoord.p3,b)))return System.out.println(this.label+" "+this.xyz+" found for "+m+" "+g+" "+k),!0;return!1},"JU.P3,~N");d(a,"checkPoint",function(a,b){var d=1;switch(this.type){case 1:d=this.point.distance(a);
break;case 2:JS.WyckoffFinder.WyckoffCoord.p1.setT(a);JU.Measure.projectOntoAxis(JS.WyckoffFinder.WyckoffCoord.p1,this.point,this.line,JS.WyckoffFinder.WyckoffCoord.vt);d=JS.WyckoffFinder.WyckoffCoord.p1.distance(a);break;case 3:d=Math.abs(JU.Measure.getPlaneProjection(a,this.plane,JS.WyckoffFinder.WyckoffCoord.vt,JS.WyckoffFinder.WyckoffCoord.vt))}return d<b},"JU.P3,~N");d(a,"create",function(a){var b=(0<=a.indexOf("x")?1:0)+(0<=a.indexOf("y")?1:0)+(0<=a.indexOf("z")?1:0),d=H(16,0),m=JU.PT.split(this.xyz,
",");JS.WyckoffFinder.WyckoffCoord.getRow(m[0],d,0);JS.WyckoffFinder.WyckoffCoord.getRow(m[1],d,4);JS.WyckoffFinder.WyckoffCoord.getRow(m[2],d,8);d[15]=1;this.op=JU.M4.newA16(d);switch(b){case 0:this.type=1;this.point=JS.SymmetryOperation.toPoint(a,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(0.51,0.27,0.6);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=d(a,"getRow",function(a,b,d){a=JU.PT.rep(a,"-","+-");a=JU.PT.rep(a,"x","*x");a=JU.PT.rep(a,"y","*y");a=JU.PT.rep(a,"z","*z");a=JU.PT.rep(a,"-*","-");a=JU.PT.rep(a,"+*","+");for(var m=JU.PT.split(a,"+"),g=m.length;0<=--g;)if(a=m[g],0!=a.length){var k=3;if(0<=a.indexOf("."))a=JU.PT.parseFloat(a),b[d+k]=a;else{var h=0,j=1;
switch(a.charAt(0).charCodeAt(0)){case 45:j=-1;case 42:h++}for(var l=0,n=a.length,q=0;--n>=h;){var p=a.charAt(n);switch(p.charCodeAt(0)){case 120:k=0;l=1;break;case 121:l=k=1;break;case 122:k=2;l=1;break;case 47:q=1,l=1/l;case 42:j*=l;l=0;break;default:p="0123456789".indexOf(p),0>p&&System.err.println("WH ????"),0==l?l=p:(q=0==q?10:10*q,l+=q*p)}}b[d+k]=j*l}}},"~S,~A,~N");m(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;b.nullHelper=null;b.helpers=new java.util.Hashtable});Y("JS");ba(["JU.M4"],"JS.CLEG","java.util.Arrays JU.AU $.BS $.PT JS.SV JV.Viewer".split(" "),function(){var b=pa(JS,"CLEG",null);b.standardizeTokens=d(b,"standardizeTokens",function(a,c){for(var b=a.length;0<=--b;){var d=a[b];if(0!=d.length){d=JS.CLEG.cleanCleg000(d);if(d.endsWith(":h"))d=d.substring(0,d.length-2);else if(c||!d.endsWith(":2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"))d.endsWith(":r")?d=d.substring(0,d.length-
1)+"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":d.equals("r")?d="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":d.equals("h")&&(d="a-b,b-c,a+b+c");a[b]=d}}System.out.println("MK StandardizeTokens "+java.util.Arrays.toString(a))},"~A,~B");b.cleanCleg000=d(b,"cleanCleg000",function(a){return a.endsWith(";0,0,0")?a.substring(a.length-6):a},"~S");b.isInt=d(b,"isInt",function(a,c){for(var b=c;0<=--b;)if(!JU.PT.isDigit(a.charAt(b)))return!1;return!0},"~S,~N");b.isClegSetting=d(b,"isClegSetting",function(a){var c=
a.indexOf(":");return 0<c&&JS.CLEG.isInt(a,c)&&a.indexOf(",")>c?c:0},"~S");b.checkSyntax=d(b,"checkSyntax",function(a,c){for(var b=0;b<a.length;b++){var d=a[b].trim();if(0!=d.length){var m=d.indexOf(":"),g=d.indexOf(",",m+1),k=d.indexOf("."),h=d.indexOf("]"),h=0<h&&"["==d.charAt(0)&&(0>m||m==h+1)?1:JU.PT.parseFloatStrict(0<m?d.substring(0,m):d);if(Double.isNaN(h)){if(0<k||0<m&&0<g)return!1}else if(1>h||231<=h)return!1;if(!(0>g)&&(d=0<m?d.substring(m+1):d,0==c.convertTransform(d,null).determinant3()))return!1}}return!0},
"~A,J.api.SymmetryInterface");b.isCalcType=d(b,"isCalcType",function(a){return 0==a.length||a.equals("sub")||a.equals("super")},"~S");b.isTransformOnly=d(b,"isTransformOnly",function(a){return JS.CLEG.isTransform(a,!1)&&0>a.indexOf(":")},"~S");b.isTransform=d(b,"isTransform",function(a,c){return 0==a.length||(0<a.indexOf(",")||0<="!r!h".indexOf(a))||c&&(a.endsWith(":r")||a.endsWith(":h"))},"~S,~B");d(b,"getMatrixTransform",function(a,c){0>c.indexOf(">")&&(c=">>"+c);var b=JU.PT.split(c,">");0==b[0].length&&
(b[0]="ref");var d=new JS.CLEG.ClegData(a.getSymTemp(),b),m=JS.CLEG.assignSpaceGroup(d,new JS.CLEG.AssignSGParams(a));if(0<m.indexOf("!"))return System.err.println(m),null;System.out.println("Modelkit transform: "+JU.PT.join(b,">",0));c=d.abcFor(d.trMat);System.out.println("Modelkit transform: "+b[0]+">"+c+">"+b[b.length-1]);return d.trMat},"JV.Viewer,~S");d(b,"transformSpaceGroup",function(a,c,b,d,m){var g=a.getCurrentUnitCell(),k=a.getOperativeSymmetry();null!=g&&k!==g&&k.getUnitCell(g.getV0abc(null,
null),!1,"modelkit");0<=b.indexOf("<")&&(b=JU.PT.rep(b,"<<",">super>").$replace("<",">"));if(0==b.length||b.endsWith(">"))b+=".";g=new JS.CLEG.ClegData(a.getSymTemp(),JU.PT.split(b,">"));a=new JS.CLEG.AssignSGParams(a,k,c,d,0,!1,m,b.equals("."));c=JS.CLEG.assignSpaceGroup(g,a);if(c.endsWith("!"))return c;a.mkIsAssign&&m.append(c);return c},"JV.Viewer,JU.BS,~S,~O,JU.SB");b.assignSpaceGroup=d(b,"assignSpaceGroup",function(a,c){var b=c.vwr,d=c.mkIndex,m=a.tokens,g=0>d;g&&(d=0);if(d>=m.length)return"invalid CLEG expression!";
var k=null!=c.mkParamsOrUC;if(1<m.length&&k)return"invalid syntax - can't mix transformations and UNITCELL option!";0==d&&!g&&JS.CLEG.standardizeTokens(m,!1);var h=m.length>d+1&&JS.CLEG.isTransformOnly(m[d+1])&&0<m[d+1].length,j=m[d].trim(),l=j.equals(".");if(0==d){if(0==j.length){if(null==c.mkSym00)return"no starting space group for CLEG!";if(!c.mkIsAssign)return m[0]=c.mkSym00.getClegId(),c.mkIndex=1,c.mkWsNode=!0,c.mkIgnoreAllSettings=h,JS.CLEG.assignSpaceGroup(a,c)}if(c.mkIsAssign&&null==c.mkSym00)return"no starting space group for calculation!"}var n=
JS.CLEG.isCalcType(j);if((n||JS.CLEG.isTransformOnly(j))!=c.mkWsNode)return"invalid CLEG expression, not node>transform>node>transform>....!";c.mkWsNode=!c.mkWsNode;var q=n?j:null;n&&(j=m[++d].trim());var p=d==m.length-1;p&&(l&&null!=a.getPrevNode())&&(j=a.getPrevNode().getCleanITAName());var v=j.lastIndexOf(":"),r=null==c.mkSym00,s=!1,x=JS.CLEG.isTransform(j,!1),u=x&&!(x&&0<=v),t=!1,y=!1,x=a.sym,A=null;if(!u&&(a.sym=x,A=new JS.CLEG.ClegNode(a,d,j),null!=a.errString))return a.errString;if(null==a.getPrevNode()){if(!JS.CLEG.checkSyntax(m,
x))return"invalid CLEG expression!";if(!c.mkCalcOnly&&!u&&r&&!A.isDefaultSetting()&&(JS.CLEG.isTransform(j,!0)||0<(v=j.indexOf(".")))){if(0>v)return"error in CLEG syntax: "+j+"!";r=j.substring(0,v);t=Q(-1,[r]);r=c.mkCalcOnly?new JS.CLEG.AssignSGParams(b):new JS.CLEG.AssignSGParams(b,null,null,c.mkParamsOrUC,-1,!0,c.mkSb,!1);t=new JS.CLEG.ClegData(b.getSymTemp(),t);r=JS.CLEG.assignSpaceGroup(t,r);if(r.endsWith("!"))return r;c.mkCalcOnly?(x=c.mkSym00=t.sym,a.trMat=t.trMat):c.mkSym00=b.getOperativeSymmetry();
if(null==c.mkSym00)return"modelkit spacegroup initialization error!";r=!1;t=!0}y=0==d&&(!c.mkCalcOnly&&!r&&h||c.mkIsAssign);h=r?null:c.mkSym00.getClegId();v=null;if(!r&&!(null==h||h.equals("0"))){var B=h.indexOf(":");0<B&&(v=h.substring(B+1),h=h.substring(0,B));y&&(v=c.mkSym00.getSpaceGroupInfoObj("itaTransform",null,!1,!1))}null==a.trMat&&(a.trMat=new JU.M4,a.trMat.setIdentity());if(!c.mkIsAssign&&(a.sym=x,a.setPrevNode(new JS.CLEG.ClegNode(a,-1,h+":"+v)),c.mkIgnoreAllSettings&&a.getPrevNode().disable(),
!a.getPrevNode().update(a)))return a.errString}n&&a.getPrevNode().setCalcNext(q);if(u){if(p)return"CLEG pathway is incomplete!";0<j.length&&a.addTransform(d,j);++c.mkIndex;return JS.CLEG.assignSpaceGroup(a,c)}if(!y){a.sym=x;if(!A.update(a))return a.errString;p&&l&&a.setNodeTransform(A);a.updateTokens(A)}if(!p)return c.mkIndex++,a.setPrevNode(A),JS.CLEG.assignSpaceGroup(a,c);n=l=d=null;d=!k||!JU.AU.isAD(c.mkParamsOrUC)?null:c.mkParamsOrUC;r&&(x.setUnitCellFromParams(null==d?H(-1,[10,10,10,90,90,90]):
d,!1,NaN),c.mkParamsOrUC=null,k=!1);k?JU.AU.isAD(c.mkParamsOrUC)?d=c.mkParamsOrUC:(l=c.mkParamsOrUC,n=l[0]):r||(x=a.sym=c.mkSym00,null==a.trMat&&(a.trMat=new JU.M4,a.trMat.setIdentity()),l=x.getV0abc(Q(-1,[a.trMat]),null),n=l[0]);null!=l&&(d=x.getUnitCell(l,!1,"assign").getUnitCellParams(),null==n&&(n=l[0]));k=j.equalsIgnoreCase("P1")||j.equals("ITA/1.1");try{var z,E,q=-1;if(c.mkCalcOnly)c.mkBitset=z=new JU.BS,E=!0;else{if(null!=c.mkBitset&&c.mkBitset.isEmpty())return"no atoms specified!";z=b.getThisModelAtoms();
var K=k?z:JS.SV.getBitSet(b.evaluateExpressionAsVariable("{within(unitcell)}"),!0);null==c.mkBitset&&(c.mkBitset=z);null!=c.mkBitset&&(z.and(c.mkBitset),k||z.and(K));q=(E=z.isEmpty())&&0>b.am.cmi?0:E?b.am.cmi:b.ms.at[z.nextSetBit(0)].getModelIndex();c.mkIsAssign||b.ms.getModelAuxiliaryInfo(q).remove("spaceGroupInfo")}!r&&!c.mkIsAssign&&x.replaceTransformMatrix(a.trMat);null==d&&(d=x.getUnitCellMultiplied().getUnitCellParams());var s=(new Boolean(s|c.mkIsAssign)).valueOf(),w=E&&s?null:b.findSpaceGroup(x,
s?z:null,s?null:A.getName(),d,n,l,2|(c.mkCalcOnly?16:0)|(!r||c.mkIsAssign?0:4));if(null==w)return"Space group "+A.getName()+" is unknown or not compatible!";if(null==l||r)l=w.get("unitcell");var j=w.get("name"),D=w.get("jmolId"),C=w.get("basis"),F=w.remove("sg");x.getUnitCell(l,!1,null);x.setSpaceGroupTo(null==F?D:F);x.setSpaceGroupName(j);if(c.mkCalcOnly)return a.sym=x,"OK";null==C&&(C=x.removeDuplicates(b.ms,z,!0));b.ms.setSpaceGroup(q,x,C);if(c.mkIsAssign)return j;(r||t)&&b.runScript("unitcell on; center unitcell;axes unitcell; axes 0.1; axes on;set perspectivedepth false;moveto 0 axis c1;draw delete;show spacegroup");
var O=a.abcFor(a.trMat);if(!g){JS.CLEG.standardizeTokens(m,!0);var R=JU.PT.join(m,">",0)+(C.isEmpty()?"":"\n basis="+C);System.out.println("ModelKit CLEG="+R);c.mkSb.append(R).append("\n")}return O}catch(P){if(I(P,Exception))return JV.Viewer.isJS||P.printStackTrace(),P.getMessage()+"!";throw P;}},"JS.CLEG.ClegData,JS.CLEG.AssignSGParams");b=P(function(){this.prevNode=this.trTemp=this.trLink=this.errString=this.trMat=this.sym=this.tokens=null;O(this,arguments)},JS.CLEG,"ClegData",null);ca(b,function(){this.trTemp=
new JU.M4});K(b,function(a,b){this.tokens=b;this.sym=a},"J.api.SymmetryInterface,~A");d(b,"addSGTransform",function(a,b){null==this.trMat&&(System.out.println("ClegData reset"),this.trMat=new JU.M4,this.trMat.setIdentity());null!=a&&(this.sym.convertTransform(a,this.trTemp),this.trMat.mul(this.trTemp));System.out.println("ClegData adding "+b+" "+a+" now "+this.abcFor(this.trMat));return this.trMat},"~S,~S");d(b,"abcFor",function(a){return this.sym.staticGetTransformABC(a,!1)},"JU.M4");d(b,"removePrevNodeTrm",
function(){null!=this.prevNode&&(null!=this.prevNode.myTrm&&!this.prevNode.disabled)&&this.addSGTransform("!"+this.prevNode.myTrm,"!prevNode.myTrm")});d(b,"calculate",function(a){a.invert();var b=JU.M4.newM4(this.trMat);b.mul(a);return this.sym.convertTransform(null,b)},"JU.M4");d(b,"updateTokens",function(a){var b=a.index,d=a.name,d=d.startsWith("ITA/")?d.substring(4):a.myIta+":"+a.myTrm;this.setToken(b,d);null!=a.calculated&&0<b&&this.setToken(b-1,a.calculated)},"JS.CLEG.ClegNode");d(b,"setToken",
function(a,b){this.tokens[a]=b},"~N,~S");d(b,"addTransformLink",function(){null==this.trLink&&(this.trLink=new JU.M4,this.trLink.setIdentity());this.trLink.mul(this.trTemp)});d(b,"setNodeTransform",function(a){a.myTrm=this.abcFor(this.trMat);a.setITAName()},"JS.CLEG.ClegNode");d(b,"addTransform",function(a,b){this.addSGTransform(b,">t>");this.addTransformLink();System.out.println("ModelKit.assignSpaceGroup index="+a+" trm="+this.trMat)},"~N,~S");d(b,"getPrevNode",function(){System.out.println("cleg? getprev "+
this.prevNode);return this.prevNode});d(b,"setPrevNode",function(a){System.out.println("cleg? setprev "+a);return this.prevNode=a},"JS.CLEG.ClegNode");b=P(function(){this.myTrm=this.myIta=this.name=null;this.index=0;this.calculated=this.calcNext=null;this.isThisModelCalc=this.disabled=!1;this.hallSymbol=null;O(this,arguments)},JS.CLEG,"ClegNode",null);K(b,function(a,b,d){null!=d&&(this.index=b,b=JS.CLEG.isClegSetting(d),0<b&&(this.myIta=d.substring(0,b),this.myTrm=d.substring(b+1)),this.init(a,d))},
"JS.CLEG.ClegData,~N,~S");d(b,"disable",function(){this.disabled=!0});d(b,"init",function(a,b){var d;b.equals("ref")&&(this.isThisModelCalc=!0);var e=b.startsWith("ITA/");e&&(b=b.substring(4));var m=!1,g=this.hallSymbol=null;if("["==b.charAt(0)){d=b.indexOf("]");if(0>d){a.errString="invalid Hall symbol: "+b+"!";return}this.hallSymbol=b.substring(1,d);d=b.indexOf(":",d);0<d&&(g=b.substring(d+1));b="Hall:"+this.hallSymbol}else b.startsWith("HM:")?m=!0:3>=b.length&&(e=JS.CLEG.isInt(b,b.length))&&(b+=
".1");!e&&(null==this.hallSymbol&&!m)&&(d=JU.PT.isDigit(b.charAt(0))?b.indexOf(" "):-1,0<d&&(b=b.substring(0,d)),0<b.indexOf(".")&&!Double.isNaN(JU.PT.parseFloat(b))&&(e=!0));if(e){this.myTrm=b.endsWith(".1")?"a,b,c":a.sym.getITASettingValue(null,b,"trm");if(null==this.myTrm){a.errString="Unknown ITA setting: "+b+"!";return}this.myIta=JU.PT.split(b,".")[0]}else if(null==this.myIta&&(this.myIta=a.sym.getSpaceGroupInfoObj("itaNumber",b,!1,!1)),null==this.myTrm&&(this.myTrm=a.sym.getSpaceGroupInfoObj("itaTransform",
b,!1,!1)),null!=this.hallSymbol&&null!=g)if(this.myTrm.equals("a,b,c"))this.myTrm=g;else{a.errString="Non-reference Hall symbol cannot also contain a setting: "+b+"!";return}"0".equals(this.myIta)?a.errString="Could not get ITA space group for "+b+"!":this.setITAName()},"JS.CLEG.ClegData,~S");d(b,"setITAName",function(){return this.name="ITA/"+this.myIta+":"+this.myTrm});d(b,"update",function(a){if(null!=a.errString)return!1;if(null==this.name)return!0;var b=a.prevNode;b.isThisModelCalc&&(b.myIta=
this.myIta);var d=null==a.trLink&&null!=this.myIta&&(this.myIta.equals(b.myIta)||null!=b.calcNext);System.out.println("ClegNode update i="+this.index+" n="+this.name+"\n data.trLink="+a.trLink+"\n "+b+" "+b.myIta+" "+b.calcNext+"  haveref="+d);if(!d)return!0;d=JU.M4.newM4(a.trMat);a.removePrevNodeTrm();var e=null;if(null!=b.calcNext){var m=!0,e=!1;switch(b.calcNext){case "super":m=!1;break;case "":case "set":b.calcNext="set",e=!0}var g=JU.PT.parseInt(b.myIta),k=JU.PT.parseInt(this.myIta);if(!(e&&
g==k)){e=a.sym.getSubgroupJSON(null,m?g:k,m?k:g,0,1);(g=null!=e)&&!m&&(e="!"+e);b=b.myIta+">"+(g?e:"?")+">"+this.myIta;if(!g)throw new RuntimeException(b);System.out.println("Modelkit sub := "+b);a.addSGTransform(e,"sub")}}this.disabled||a.addSGTransform(this.myTrm,"myTrm");this.calculated=a.calculate(d);System.out.println("calculated is "+this.calculated);return!0},"JS.CLEG.ClegData");d(b,"getName",function(){return this.name});d(b,"getCleanITAName",function(){return this.name.startsWith("ITA/")?
this.name.substring(4):this.name});d(b,"isDefaultSetting",function(){return null==this.myTrm||JS.CLEG.cleanCleg000(this.myTrm).equals("a,b,c")});d(b,"setCalcNext",function(a){this.calcNext=a},"~S");m(b,"toString",function(){return"[ClegNode #"+this.index+" "+this.name+"   "+this.myIta+":"+this.myTrm+(this.disabled?" disabled":"")+"]"});b=P(function(){this.vwr=null;this.mkIsAssign=this.mkCalcOnly=!1;this.mkSb=null;this.mkIgnoreAllSettings=!1;this.mkParamsOrUC=this.mkBitset=this.mkSym00=null;this.mkWsNode=
!1;this.mkIndex=0;O(this,arguments)},JS.CLEG,"AssignSGParams",null);K(b,function(a){this.vwr=a;this.mkCalcOnly=!0;this.mkIsAssign=!1;this.mkSb=null},"JV.Viewer");K(b,function(a,b,d,e,m,g,k,h){this.vwr=a;this.mkCalcOnly=!1;this.mkIndex=m;this.mkSym00=b;this.mkBitset=d;this.mkParamsOrUC=e;this.mkIgnoreAllSettings=g;this.mkSb=k;this.mkIsAssign=h},"JV.Viewer,J.api.SymmetryInterface,JU.BS,~O,~N,~B,JU.SB,~B")})})(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);
