(function(ta,ua,va,wa,F,xa,ba,V,Y,$,O,w,ya,G,za,da,L,R,C,Aa,ia,qa,Ba,Ca,Da,Ea,Fa,ja,ra,sa,Q,Ga,Ha,la,Ia,Ja,Ka,La,pa,Ma,Na,Oa,Pa,Qa,Ra,Sa,Ta,Ua,Va,Wa,Xa,Ya,Za,$a,ab,bb,cb,db,d,l){ba("J.adapter.smarter");Y(["JU.P3","$.SB"],"J.adapter.smarter.XtalSymmetry","java.lang.Boolean $.Character $.Float java.util.Hashtable JU.BS $.Lst $.M3 $.M4 $.P3i $.PT $.V3 J.adapter.smarter.Atom JS.Symmetry $.SymmetryOperation JU.BSUtil $.SimpleUnitCell".split(" "),function(){var b=O(function(){this.sym2=this.baseSymmetry=
this.asc=this.acr=null;this.doCentroidUnitCell=this.centroidPacked=this.applySymmetryToBonds=!1;this.doNormalize=!0;this.latticeOnly=this.doPackUnitCell=!1;this.unitCellTranslations=this.latticeCells=this.baseUnitCell=this.unitCellParams=this.trajectoryUnitCells=null;this.packingError=this.symmetryRange=0;this.bondsFound=this.filterSymop=null;this.ndims=3;this.nVib=this.noSymmetryCount=this.latticeOp=this.firstAtom=0;this.mTemp=this.ptTemp=null;this.rmaxz=this.rmaxy=this.rmaxx=this.rminz=this.rminy=
this.rminx=0;this.maxXYZ0=this.minXYZ0=this.maxXYZ=this.minXYZ=this.ptOffset=null;this.checkAll=!1;this.bondCount0=0;this.disorderMap=this.symmetry=null;this.disorderMapMax=0;$(this,arguments)},J.adapter.smarter,"XtalSymmetry");ia(b,function(){this.unitCellParams=C(6,0);this.bondsFound=new JU.SB;this.ptOffset=new JU.P3});G(b,function(){});d(b,"set",function(a){this.acr=a;this.asc=a.asc;this.getSymmetry();return this},"J.adapter.smarter.AtomSetCollectionReader");d(b,"getSymmetry",function(){return null==
this.symmetry?this.symmetry=this.acr.getInterface("JS.Symmetry"):this.symmetry});d(b,"setSymmetry",function(a){return this.symmetry=a},"J.api.SymmetryInterface");d(b,"setSymmetryRange",function(a){this.symmetryRange=a;this.asc.setInfo("symmetryRange",Float.$valueOf(a))},"~N");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,"setUnitCell",function(a,c,e){this.unitCellParams=C(a.length,0);for(var k=0;k<a.length;k++)this.unitCellParams[k]=a[k];this.asc.haveUnitCell=!0;this.asc.setCurrentModelInfo("unitCellParams",
this.unitCellParams);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().setUnitCell(this.unitCellParams,!1);null!=e&&(this.symmetry.setOffsetPt(e),this.asc.setCurrentModelInfo("unitCellOffset",e));null!=c&&(this.symmetry.initializeOrientation(c),this.asc.setCurrentModelInfo("matUnitCellOrientation",
c))},"~A,JU.M3,JU.P3");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,"setLatticeParameter",function(a){this.symmetry.setSpaceGroup(this.doNormalize);this.symmetry.setLattice(a)},"~N");d(b,"applySymmetryFromReader",function(a){this.asc.setCoordinatesAreFractional(this.acr.iHaveFractionalCoordinates);this.setUnitCell(this.acr.unitCellParams,
this.acr.matUnitCellOrientation,this.acr.unitCellOffset);this.setAtomSetSpaceGroupName(this.acr.sgName);this.setSymmetryRange(this.acr.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=this.acr.getNewSymmetry();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.packingError=this.acr.packingError;c&&(null!=a&&this.setSpaceGroupFrom(a),this.applySymmetryLattice(),null!=a&&null==this.filterSymop&&this.setAtomSetSpaceGroupName(a.getSpaceGroupName()))}if(this.acr.iHaveFractionalCoordinates&&this.acr.merging&&null!=a){for(var c=this.asc.atoms,e=this.asc.getLastAtomSetAtomIndex(),k=this.asc.ac;e<k;e++)a.toCartesian(c[e],!0);this.asc.setCoordinatesAreFractional(!1);this.acr.addVibrations=!1}return this.symmetry},
"J.api.SymmetryInterface");d(b,"setSpaceGroupFrom",function(a){this.getSymmetry().setSpaceGroupTo(a.getSpaceGroup())},"J.api.SymmetryInterface");d(b,"setAtomSetSpaceGroupName",function(a){this.symmetry.setSpaceGroupName(a);this.asc.setCurrentModelInfo("spaceGroup",a+"")},"~S");d(b,"applySymmetryLattice",function(){if(this.asc.coordinatesAreFractional&&null!=this.symmetry.getSpaceGroup()){this.sym2=null;var a=this.latticeCells[0],c=this.latticeCells[1],e=Math.abs(this.latticeCells[2]),k=this.latticeCells[3],
b=w(this.symmetry.getUnitCellInfoType(6));this.firstAtom=this.asc.getLastAtomSetAtomIndex();var f=this.asc.bsAtoms;null!=f&&(this.updateBSAtoms(),this.firstAtom=f.nextSetBit(this.firstAtom));this.rminx=this.rminy=this.rminz=3.4028235E38;this.rmaxx=this.rmaxy=this.rmaxz=-3.4028235E38;var g=null;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)));if(null!=this.acr.latticeType){this.asc.setCurrentModelInfo("latticeType",this.acr.latticeType);var j=this.acr.fillRange;if("string"==typeof j){var h=j;h.equals("conventional")?j=this.symmetry.getConventionalUnitCell(this.acr.latticeType,this.acr.primitiveToCrystal):h.equals("primitive")?(j=this.symmetry.getUnitCellVectors(),this.symmetry.toFromPrimitive(!0,
this.acr.latticeType.charAt(0),j,this.acr.primitiveToCrystal)):"R".equals(this.acr.latticeType)&&h.equals("rhombohedral")?h=1==this.symmetry.getUnitCellInfoType(7)?"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":null:"R".equals(this.acr.latticeType)&&h.equals("trigonal")?h=1==this.symmetry.getUnitCellInfoType(8)?"a-b,b-c,a+b+c":null:(0>h.indexOf(",")||0>h.indexOf("a")||0>h.indexOf("b")||h.indexOf("c"),h=null);if(null!=h&&"string"==typeof j&&null==(j=this.symmetry.getV0abc(h,null)))h=null;null==h?
(this.acr.appendLoadNote(this.acr.fillRange+" symmetry could not be implemented"),this.acr.fillRange=null):(this.acr.fillRange=j,this.acr.addJmolScript("unitcell "+JU.PT.esc(h)))}}if(null!=this.acr.fillRange){j=this.acr.fillRange;f=this.updateBSAtoms();this.acr.forcePacked=!0;this.doPackUnitCell=!1;this.setMinMax(b,k,a,c,e);for(var a=JU.P3i.new3(this.minXYZ.x,this.minXYZ.y,this.minXYZ.z),c=JU.P3i.new3(this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z),h=Array(4),d=0;4>d;d++)h[d]=JU.P3.newP(j[d]);this.adjustRangeMinMax(h);
null==this.sym2&&(this.sym2=new JS.Symmetry,this.sym2.getUnitCelld(this.acr.fillRange,!1,null));this.applyAllSymmetry(this.acr.ms,f);g=new JU.P3;j=this.asc.atoms;for(d=this.asc.ac;--d>=this.firstAtom;)g.setT(j[d]),this.symmetry.toCartesian(g,!1),this.sym2.toFractional(g,!1),this.acr.fixJavaFloat&&JU.PT.fixPtFloats(g,1E5),(this.acr.noPack?!this.removePacking(this.ndims,g,a.x,c.x,a.y,c.y,a.z,c.z,this.packingError):!this.isWithinCell(this.ndims,g,a.x,c.x,a.y,c.y,a.z,c.z,this.packingError))&&f.clear(d)}else{this.nVib=
0;var p=null,n=null,r=null;this.baseSymmetry=this.symmetry;var v=this.acr.strSupercell,h=null;null!=v&&0<=v.indexOf(",")&&(d=new JU.M4,null==J.adapter.smarter.XtalSymmetry.mident&&(J.adapter.smarter.XtalSymmetry.mident=new JU.M4),h=this.symmetry.getV0abc(v,d),null!=h&&!d.equals(J.adapter.smarter.XtalSymmetry.mident)&&(this.setMinMax(b,k,a,c,e),g=JU.P3.newP(h[0]),p=JU.P3.newP(h[1]),n=JU.P3.newP(h[2]),r=JU.P3.newP(h[3]),this.adjustRangeMinMax(h)));var t=this.asc.getLastAtomSetAtomIndex();null!=f&&(t=
f.nextSetBit(t));if(3.4028235E38==this.rminx)h=null;else{this.asc.setGlobalBoolean(7);this.doPackUnitCell=d=this.doPackUnitCell;f=this.updateBSAtoms();this.applyAllSymmetry(this.acr.ms,null);this.doPackUnitCell=d;for(var j=this.asc.atoms,s=this.asc.ac,d=t;d<s;d++)this.symmetry.toCartesian(j[d],!0),f.set(d);this.symmetry=null;this.symmetry=this.getSymmetry();this.setUnitCell(C(-1,[0,0,0,0,0,0,p.x,p.y,p.z,n.x,n.y,n.z,r.x,r.y,r.z]),null,null);this.setAtomSetSpaceGroupName(null==h||null==v?"P1":"cell="+
v);this.symmetry.setSpaceGroup(this.doNormalize);this.symmetry.addSpaceGroupOperation("x,y,z",0);null!=g&&this.symmetry.toFractional(g,!0);for(d=t;d<s;d++)this.symmetry.toFractional(j[d],!0),null!=g&&j[d].sub(g);this.asc.haveAnisou=!1;this.asc.setCurrentModelInfo("matUnitCellOrientation",null)}this.setMinMax(b,k,a,c,e);if(null==h){this.applyAllSymmetry(this.acr.ms,f);if(!this.acr.noPack&&(!this.applySymmetryToBonds||!this.acr.doPackUnitCell))return;this.setMinMax(b,k,a,c,e)}(this.acr.forcePacked||
this.acr.doPackUnitCell||this.acr.noPack)&&this.trimToUnitCell(t)}}});d(b,"setMinMax",function(a,c,e,k,b){this.minXYZ=new JU.P3i;this.maxXYZ=JU.P3i.new3(e,k,b);JU.SimpleUnitCell.setMinMaxLatticeParameters(a,this.minXYZ,this.maxXYZ,c)},"~N,~N,~N,~N,~N");d(b,"trimToUnitCell",function(a){var c=this.asc.atoms,e=this.updateBSAtoms();if(this.acr.noPack)for(a=e.nextSetBit(a);0<=a;a=e.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.packingError)||e.clear(a);else for(a=e.nextSetBit(a);0<=a;a=e.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.packingError)||e.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,"adjustRangeMinMax",function(a){var c=new JU.P3,
e=new JU.P3,k=new JU.P3;this.acr.forcePacked&&(c.setT(a[1]),e.setT(a[2]),k.setT(a[3]),c.scale(this.packingError),e.scale(this.packingError),k.scale(this.packingError));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(e);a[0].sub(k);var b=JU.P3.newP(a[0]);this.symmetry.toFractional(b,!0);this.setSymmetryMinMax(b);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,e,a[2]);a[3].scaleAdd2(2,k,a[3]);for(c=0;3>c;c++)for(e=c+1;4>e;e++)b.add2(a[c],a[e]),0!=c&&b.add(a[0]),this.symmetry.toFractional(b,!1),this.setSymmetryMinMax(b);this.symmetry.toCartesian(b,!1);b.add(a[1]);this.symmetry.toFractional(b,!1);this.setSymmetryMinMax(b);this.minXYZ=JU.P3i.new3(F(Math.min(0,Math.floor(this.rminx+0.001))),F(Math.min(0,Math.floor(this.rminy+0.001))),F(Math.min(0,Math.floor(this.rminz+0.001))));this.maxXYZ=JU.P3i.new3(F(Math.max(1,
Math.ceil(this.rmaxx-0.001))),F(Math.max(1,Math.ceil(this.rmaxy-0.001))),F(Math.max(1,Math.ceil(this.rmaxz-0.001))))},"~A");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,"isWithinCell",function(a,c,e,k,b,f,g,j,d){return c.x>e-d&&c.x<k+d&&(2>a||c.y>b-d&&c.y<f+d)&&(3>a||c.z>g-d&&c.z<j+d)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");
d(b,"removePacking",function(a,c,e,k,b,f,g,j,d){return c.x>e-d&&c.x<k-d&&(2>a||c.y>b-d&&c.y<f-d)&&(3>a||c.z>g-d&&c.z<j-d)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");d(b,"applyAllSymmetry",function(a,c){if(!(0==this.asc.ac||null!=c&&c.isEmpty())){var e=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=w(this.symmetry.getUnitCellInfoType(6));this.finalizeSymmetry(this.symmetry);var k=this.symmetry.getSpaceGroupOperationCount(),b=null==this.acr.thisBiomolecule?null:new JU.BS;null!=b&&(this.asc.checkSpecial=!0);JU.SimpleUnitCell.setMinMaxLatticeParameters(this.ndims,this.minXYZ,this.maxXYZ,0);this.latticeOp=this.symmetry.getLatticeOp();this.latticeOnly=this.asc.checkLatticeOnly&&0<=
this.latticeOp;this.doCentroidUnitCell&&this.asc.setInfo("centroidMinMax",L(-1,[this.minXYZ.x,this.minXYZ.y,this.minXYZ.z,this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z,this.centroidPacked?1:0]));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(w(this.minXYZ0.x),w(this.minXYZ0.y),w(this.minXYZ0.z)),this.maxXYZ.set(w(this.maxXYZ0.x),w(this.maxXYZ0.y),w(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 f=(this.maxXYZ.x-this.minXYZ.x)*(this.maxXYZ.y-this.minXYZ.y)*(this.maxXYZ.z-this.minXYZ.z),g=e*(this.latticeOnly?4:k),g=this.asc.checkSpecial||null!=this.acr.thisBiomolecule?
g*f:0<this.symmetryRange?g:1,j=Array(g),d=this.asc.atoms,m=0;m<e;m++)d[this.firstAtom+m].bsSymmetry=JU.BS.newN(k*(f+1));var p=0;this.unitCellTranslations=Array(f);var n=0,r=0,v=Math.abs(this.symmetryRange),t=0!=this.symmetryRange,s=0>this.symmetryRange,l=0<this.symmetryRange;t&&(this.rminx=this.rminy=this.rminz=3.4028235E38,this.rmaxx=this.rmaxy=this.rmaxz=-3.4028235E38);var z=this.symmetry,u=z;this.checkAll=this.latticeOnly||1==this.asc.atomSetCount&&this.asc.checkSpecial&&0<=this.latticeOp;var A=
this.acr.lstNCS;if(null!=A&&0==A.get(0).m33){for(var na=z.getSpaceGroupOperationCount(),S=A.size(),m=S;0<=--m;){var E=A.get(m);E.m33=1;z.toFractionalM(E)}for(m=1;m<na;m++)for(var D=z.getSpaceGroupOperation(m),T=0;T<S;T++)E=JU.M4.newM4(A.get(T)),E.mul2(D,E),this.doNormalize&&0<this.noSymmetryCount&&JS.SymmetryOperation.normalizeOperationToCentroid(3,E,d,this.firstAtom,this.noSymmetryCount),A.addLast(E)}m=null;A=z.getSpaceGroupOperation(0);this.doPackUnitCell&&(m=new JU.P3,this.ptOffset.set(0,0,0));
na=this.bondCount0>this.asc.bondIndex0&&this.applySymmetryToBonds?L(e,0):null;f=L(f,0);for(S=this.minXYZ.x;S<this.maxXYZ.x;S++)for(E=this.minXYZ.y;E<this.maxXYZ.y;E++)for(D=this.minXYZ.z;D<this.maxXYZ.z;D++)if(this.unitCellTranslations[n]=JU.V3.new3(S,E,D),f[n++]=555+100*S+10*E+D,!(0!=S||0!=E||0!=D||0==j.length)){for(p=0;p<e;p++){r=d[this.firstAtom+p];null!=a&&(z=a.getAtomSymmetry(r,this.symmetry),z!==u&&(0==z.getSpaceGroupOperationCount()&&this.finalizeSymmetry(u=z),A=z.getSpaceGroupOperation(0)));
T=JU.P3.newP(r);A.rotTrans(T);z.toCartesian(T,!1);if(this.doPackUnitCell)if(z.toUnitCellRnd(T,this.ptOffset),m.setT(T),z.toFractional(m,!1),this.acr.fixJavaFloat&&JU.PT.fixPtFloats(m,1E5),null==c)r.setT(m);else if(1E-4>r.distance(m))c.set(r.index);else{c.clear(r.index);continue}null!=c&&r.bsSymmetry.clearAll();r.bsSymmetry.set(n*k);r.bsSymmetry.set(0);t&&this.setSymmetryMinMax(T);p<g&&(j[p]=T)}s&&(this.rminx-=v,this.rminy-=v,this.rminz-=v,this.rmaxx+=v,this.rmaxy+=v,this.rmaxz+=v);r=p=this.symmetryAddAtoms(0,
0,0,0,p,n*k,j,a,b,na)}l&&(this.rminx-=v,this.rminy-=v,this.rminz-=v,this.rmaxx+=v,this.rmaxy+=v,this.rmaxz+=v);n=0;for(S=this.minXYZ.x;S<this.maxXYZ.x;S++)for(E=this.minXYZ.y;E<this.maxXYZ.y;E++)for(D=this.minXYZ.z;D<this.maxXYZ.z;D++)if(n++,0!=S||0!=E||0!=D)p=this.symmetryAddAtoms(S,E,D,r,p,n*k,j,a,b,na);n*e==this.asc.ac-this.firstAtom&&this.duplicateAtomProperties(n);this.setSymmetryOps();this.asc.setCurrentModelInfo("presymmetryAtomIndex",Integer.$valueOf(this.firstAtom));this.asc.setCurrentModelInfo("presymmetryAtomCount",
Integer.$valueOf(e));this.asc.setCurrentModelInfo("latticeDesignation",z.getLatticeDesignation());this.asc.setCurrentModelInfo("unitCellRange",f);this.asc.setCurrentModelInfo("unitCellTranslations",this.unitCellTranslations);this.baseUnitCell=this.unitCellParams;this.unitCellParams=C(6,0);this.reset()}},"J.adapter.smarter.MSInterface,JU.BS");d(b,"symmetryAddAtoms",function(a,c,e,k,b,f,g,d,h,m){var p=0==k,n=null!=m;this.doPackUnitCell&&this.ptOffset.set(a,c,e);var r=this.symmetryRange*this.symmetryRange,
v=0>this.symmetryRange,t=0<this.symmetryRange,s=p&&t,t=(new Boolean(t&!p)).valueOf(),l=this.symmetry.getSpaceGroupOperationCount(),z=this.acr.lstNCS,u=null==z?0:z.size(),A=l+u,u=F(u/l),w=1==A&&!this.doPackUnitCell?!1:this.asc.checkSpecial,S=v||t,E=w||S,D=null!=h,T=w||s,K=this.acr.isMolecular?null:this.asc.bsAtoms,x=this.symmetry;v&&(k=this.noSymmetryCount);var v=this.firstAtom+this.noSymmetryCount,H=0>this.asc.firstAtomToBond?v:this.asc.firstAtomToBond,I=new JU.P3,C=null,ea=D?0.01:1E-4,V="\x00",L=
null==K?this.firstAtom:K.nextSetBit(this.firstAtom),N=0;a:for(;N<A;N++)if(!(p&&0==N||this.latticeOnly&&0<N&&0!=N%this.latticeOp||null!=h&&h.get(N))){for(var oa=this.firstAtom+(w||null!=h?b:t?k:0),aa=N>=l?0:0==this.asc.vibScale?x.getSpinOp(N):this.asc.vibScale,Q=Math.max(this.firstAtom,null==K?0:K.nextSetBit(0)),ga=E,G=N>=l?F((N-l)/u):N,ca=G+f;Q<v;Q++){var X=this.asc.atoms[Q];if(null==K||K.get(Q)){null==d?x.newSpaceGroupPoint(X,N,N>=l?z.get(N-l):null,a,c,e,I):(x=d.getAtomSymmetry(X,this.symmetry),
x.newSpaceGroupPoint(X,N,null,a,c,e,I),C=x.getSpaceGroupOperationCode(N),null!=C&&(V=C.charAt(0),x=d.getSymmetryFromCode(C),0==x.getSpaceGroupOperationCount()&&this.finalizeSymmetry(x)));this.acr.fixJavaFloat&&JU.PT.fixPtFloats(I,1E5);var P=JU.P3.newP(I);x.toCartesian(P,!1);if(this.doPackUnitCell&&(x.toUnitCellRnd(P,this.ptOffset),I.setT(P),x.toFractional(I,!1),this.acr.fixJavaFloat&&JU.PT.fixPtFloats(I,1E5),!this.isWithinCell(this.ndims,I,this.minXYZ0.x,this.maxXYZ0.x,this.minXYZ0.y,this.maxXYZ0.y,
this.minXYZ0.z,this.maxXYZ0.z,this.packingError)))continue;s&&this.setSymmetryMinMax(P);var y=null;if(ga){if(S&&(P.x<this.rminx||P.y<this.rminy||P.z<this.rminz||P.x>this.rmaxx||P.y>this.rmaxy||P.z>this.rmaxz))continue;for(var fa=3.4028235E38,U=this.checkAll?this.asc.ac:oa,Z=X.atomName,$=null==C?X.altLoc:V,W=L;W<U;W++)if(null==K||K.get(W)){var O=g[W-this.firstAtom];if(null!=O){O=P.distanceSquared(O);if(w&&O<ea){if(D){h.set(N);continue a}y=this.asc.atoms[W];if((null==y.atomName||y.atomName.equals(Z))&&
y.altLoc==$)break;y=null}t&&(W<k&&O<fa)&&(fa=O)}}if(t&&fa>r)continue}D&&(ga=!1);W=X.atomSite;if(null!=y)n&&(m[W]=y.index),y.bsSymmetry.set(ca),y.bsSymmetry.set(G);else{n&&(m[W]=this.asc.ac);y=X.copyTo(I,this.asc);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(y.index);0!=aa&&null!=y.vib&&(x.getSpaceGroupOperation(N).rotate(y.vib),y.vib.scale(aa));if(y.isNegDisorder){null==this.disorderMap&&(this.disorderMap=new java.util.Hashtable);var R=Integer.$valueOf(1E3*N+y.altLoc.charCodeAt(0)),fa=this.disorderMap.get(R);
if(null==fa){if(0==this.disorderMapMax||90==this.disorderMapMax)this.disorderMapMax=64;this.disorderMap.put(R,fa=new Character(String.fromCharCode(++this.disorderMapMax)))}y.altLoc=fa.charValue()}y.atomSite=W;null!=C&&(y.altLoc=V);y.bsSymmetry=JU.BSUtil.newAndSetBit(ca);y.bsSymmetry.set(G);T&&(g[b++]=P);X=X.tensors;if(null!=X){y.tensors=null;for(W=X.size();0<=--W;)P=X.get(W),null!=P&&(1==l?y.addTensor(P.copyTensor(),null,!1):this.addRotatedTensor(y,P,N,!1,x))}}}}if(n){oa=this.asc.bonds;aa=this.asc.atoms;
for(ga=this.asc.bondIndex0;ga<this.bondCount0;ga++)if(G=oa[ga],y=aa[G.atomIndex1],Q=aa[G.atomIndex2],!(null==y||null==Q||Q.atomSetIndex<y.atomSetIndex))if(ca=m[y.atomSite],X=m[Q.atomSite],ca>X&&(Q=ca,ca=X,X=Q),ca!=X&&(ca>=H||X>=H)&&0>this.bondsFound.indexOf(R="-"+ca+","+X))this.bondsFound.append(R),this.asc.addNewBondWithOrder(ca,X,G.order)}}return b},"~N,~N,~N,~N,~N,~N,~A,J.adapter.smarter.MSInterface,JU.BS,~A");d(b,"duplicateAtomProperties",function(a){var c=this.asc.getAtomSetAuxiliaryInfoValue(-1,
"atomProperties");if(null!=c)for(var e,k=c.entrySet().iterator();k.hasNext()&&((e=k.next())||1);){var b=e.getKey(),f=e.getValue();if("string"==typeof f){for(var g=f,d=new JU.SB,f=a;0<=--f;)d.append(g);c.put(b,d.toString())}else{b=f;g=C(b.length*a,0);for(f=a;0<=--f;)System.arraycopy(b,0,g,f*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.getSpaceGroupName())},"J.api.SymmetryInterface");d(b,"setSymmetryOps",function(){var a=this.symmetry.getSpaceGroupOperationCount();if(0<a){for(var c=Array(a),e=0;e<a;e++)c[e]=""+this.symmetry.getSpaceGroupXyz(e,this.doNormalize);this.asc.setCurrentModelInfo("symmetryOperations",c);this.asc.setCurrentModelInfo("symmetryOps",this.symmetry.getSymmetryOperations())}this.asc.setCurrentModelInfo("symmetryCount",
Integer.$valueOf(a));this.asc.setCurrentModelInfo("latticeType",null==this.acr.latticeType?"P":this.acr.latticeType);this.asc.setCurrentModelInfo("intlTableNo",this.symmetry.getIntTableNumber());this.asc.setCurrentModelInfo("intlTableNoFull",this.symmetry.getIntTableNumberFull());if(null==this.acr.sgName||0<=this.acr.sgName.indexOf("?")||0<=this.acr.sgName.indexOf("!"))this.setAtomSetSpaceGroupName(this.acr.sgName=this.symmetry.getSpaceGroupName())});d(b,"getOverallSpan",function(){return null==this.maxXYZ0?
JU.V3.new3(this.maxXYZ.x-this.minXYZ.x,this.maxXYZ.y-this.minXYZ.y,this.maxXYZ.z-this.minXYZ.z):JU.V3.newVsub(this.maxXYZ0,this.minXYZ0)});d(b,"applySymmetryBio",function(a,c,e){var k=a.get("biomts"),b=k.size();null==J.adapter.smarter.XtalSymmetry.mident&&(J.adapter.smarter.XtalSymmetry.mident=new JU.M4,J.adapter.smarter.XtalSymmetry.mident.setIdentity());this.acr.lstNCS=null;this.setLatticeCells();var f=null!=this.latticeCells&&0!=this.latticeCells[0]?L(3,0):null;if(null!=f)for(var g=0;3>g;g++)f[g]=
this.latticeCells[g];this.latticeCells=null;var f=this.acr.getFilterWithCase("BMCHAINS"),d=null==f?-1:2>f.length?0:JU.PT.parseInt(f.substring(1));-2147483648==d&&(d=-f.charAt(1).charCodeAt(0));var h=0<=e.indexOf("BYCHAIN")?1:0<=e.indexOf("BYSYMOP")?2:0;this.doNormalize=!1;var m=a.get("chains");this.symmetry=null;this.getSymmetry().setSpaceGroup(this.doNormalize);this.addSpaceGroupOperation("x,y,z",!1);f=a.get("name");this.setAtomSetSpaceGroupName(this.acr.sgName=f);this.applySymmetryToBonds=c;this.bondCount0=
this.asc.bondCount;this.firstAtom=this.asc.getLastAtomSetAtomIndex();var f=this.asc.ac,p=new java.util.Hashtable,n=0,r=this.asc.atoms;c=this.bondCount0>this.asc.bondIndex0&&c;switch(h){case 1:for(g=f;--g>=this.firstAtom;){var v=Integer.$valueOf(r[g].chainID),t=p.get(v);null==t&&(n++,p.put(v,t=new JU.BS));t.set(g)}this.asc.bsAtoms=new JU.BS;for(g=0;g<n;g++)this.asc.bsAtoms.set(f+g),c=new J.adapter.smarter.Atom,c.set(0,0,0),c.radius=16,this.asc.addAtom(c);for(var s=0,l,p=p.entrySet().iterator();p.hasNext()&&
((l=p.next())||1);){c=r[f+s++];t=l.getValue();for(g=t.nextSetBit(0);0<=g;g=t.nextSetBit(g+1))c.add(r[g]);c.scale(1/t.cardinality());c.atomName="Pt"+s;c.chainID=l.getKey().intValue()}this.firstAtom=f;f+=n;c=!1;break;case 2:this.asc.bsAtoms=new JU.BS;this.asc.bsAtoms.set(f);c=r[f]=new J.adapter.smarter.Atom;c.set(0,0,0);for(g=f;--g>=this.firstAtom;)c.add(r[g]);c.scale(1/(f-this.firstAtom));c.atomName="Pt";c.radius=16;this.asc.addAtom(c);this.firstAtom=f++;c=!1}n=a.get("asemblyIdAtoms");0<=e.indexOf("#<")&&
(b=Math.min(b,JU.PT.parseInt(e.substring(e.indexOf("#<")+2))-1),e=JU.PT.rep(e,"#<","_<"));g=0;for(p=this.firstAtom;p<f;p++)r[p].bsSymmetry=new JU.BS,a=r[p].chainID,a>g&&(g=a);a=this.asc.bsAtoms;t=c?L(this.asc.ac,0):null;for(s=null==m?1:0;s<b;s++){if(0<=e.indexOf("!#")){if(0<=e.indexOf("!#"+(s+1)+";"))continue}else if(0<=e.indexOf("#")&&0>e.indexOf("#"+(s+1)+";"))continue;var z=k.get(s),u=!z.equals(J.adapter.smarter.XtalSymmetry.mident),A=null==m?null:m.get(s);if(null!=A&&null!=n){a=new JU.BS;for(p=
n.entrySet().iterator();p.hasNext()&&((l=p.next())||1);)0<=A.indexOf(":"+l.getKey()+";")&&a.or(l.getValue());null!=this.asc.bsAtoms&&a.and(this.asc.bsAtoms);A=null}for(var w=-1,S=!1,p=this.firstAtom;p<f;p++){if(null!=a)S=!a.get(p);else if(null!=A&&(v=r[p].chainID)!=w)S=0>A.indexOf(":"+this.acr.vwr.getChainIDStr(w=v)+";");if(!S)try{var E=r[p].atomSite,D;c&&(t[E]=this.asc.ac);D=this.asc.newCloneAtom(r[p]);D.bondingRadius=s;this.asc.atomSymbolicMap.put(""+D.atomSerial,D);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(D.index);
D.atomSite=E;u&&z.rotTrans(D);D.bsSymmetry=JU.BSUtil.newAndSetBit(s)}catch(T){if(da(T,Exception))this.asc.errorMessage="appendAtomCollection error: "+T;else throw T;}}u&&this.symmetry.addBioMoleculeOperation(z,!1);if(c)for(z=this.asc.bondIndex0;z<this.bondCount0;z++)p=this.asc.bonds[z],this.asc.addNewBondWithOrder(t[r[p.atomIndex1].atomSite],t[r[p.atomIndex2].atomSite],p.order)}if(null!=m){null==this.asc.bsAtoms&&(this.asc.bsAtoms=JU.BSUtil.newBitSet2(0,this.asc.ac));this.asc.bsAtoms.clearBits(this.firstAtom,
f);if(0==h){if(-1!=d){v=(k=0!=d)?new JU.BS:null;r=this.asc.atoms;E=0;k&&(E=0>d?Math.max(-d,g+1):Math.max(g+d,65),v.setBits(0,E-1),v.setBits(91,97),v.setBits(123,200));h=1==this.asc.structureCount?this.asc.structures[0].bsAll:null;m=new java.util.Hashtable;D=new java.util.Hashtable;p=null==h?null:new java.util.Hashtable;n=null;g=f;for(t=this.asc.ac;g<t;g++)s=r[g].chainID,u=r[g].bsSymmetry.nextSetBit(0),d=this.acr.vwr.getChainIDStr(s),z=0==u?d:d+u,e=m.get(z),null==e&&(k&&0!=u&&(u=200>E?v.nextClearBit(E):
200,200>u&&(v.set(u),e=Integer.$valueOf(this.acr.vwr.getChainID(""+String.fromCharCode(u),!0)),E=u)),null==e&&(e=Integer.$valueOf(this.acr.vwr.getChainID(z,!0))),z!==d&&(D.put(e,Integer.$valueOf(s)),null!=h&&(null!=n&&(n[1]=g),p.put(e,n=L(-1,[g,t])))),m.put(z,e)),r[g].chainID=e.intValue();if(0<this.asc.structureCount){r=this.asc.structures;k=this.asc.structureCount;for(p=D.entrySet().iterator();p.hasNext()&&((l=p.next())||1);){e=l.getKey();e=e.intValue();d=l.getValue().intValue();for(g=0;g<k;g++)v=
r[g],null==v.bsAll&&(v.startChainID==v.endChainID?v.startChainID==d&&(v=v.clone(),v.startChainID=v.endChainID=e,this.asc.addStructure(v)):System.err.println("XtalSymmetry not processing biomt chain structure "+this.acr.vwr.getChainIDStr(d)+" to "+this.acr.vwr.getChainIDStr(e)))}}}l=this.asc.getAtomSetAuxiliaryInfoValue(-1,"PDB_CONECT_bonds");if(!c&&null!=l)for(g=l.size();0<=--g;)if(p=l.get(g),c=this.asc.getAtomFromName(""+p[0]),r=this.asc.getAtomFromName(""+p[1]),null!=c&&null!=r&&c.bondingRadius!=
r.bondingRadius&&(null==a||a.get(c.index)&&a.get(r.index))&&25<c.distanceSquared(r))l.removeItemAt(g),System.out.println("long interchain bond removed for @"+c.atomSerial+"-@"+r.atomSerial)}g=f;for(t=this.asc.ac;g<t;g++)this.asc.atoms[g].bondingRadius=NaN}this.noSymmetryCount=f-this.firstAtom;this.asc.setCurrentModelInfo("presymmetryAtomIndex",Integer.$valueOf(this.firstAtom));this.asc.setCurrentModelInfo("presymmetryAtomCount",Integer.$valueOf(this.noSymmetryCount));this.asc.setCurrentModelInfo("biosymmetryCount",
Integer.$valueOf(b));this.asc.setCurrentModelInfo("biosymmetry",this.symmetry);this.finalizeSymmetry(this.symmetry);this.setSymmetryOps();this.reset()},"java.util.Map,~B,~S");d(b,"reset",function(){this.asc.coordinatesAreFractional=!1;this.asc.setCurrentModelInfo("hasSymmetry",Boolean.TRUE);this.asc.setGlobalBoolean(1)});d(b,"addRotatedTensor",function(a,c,e,k,b){null==this.ptTemp&&(this.ptTemp=new JU.P3,this.mTemp=new JU.M3);return a.addTensor(this.acr.getInterface("JU.Tensor").setFromEigenVectors(b.rotateAxes(e,
c.eigenVectors,this.ptTemp,this.mTemp),c.eigenValues,c.isIsotropic?"iso":c.type,c.id,c),null,k)},"J.adapter.smarter.Atom,JU.Tensor,~N,~B,J.api.SymmetryInterface");d(b,"setTensors",function(){for(var a=this.asc.ac,c=this.asc.getLastAtomSetAtomIndex();c<a;c++){var e=this.asc.atoms[c];null!=e.anisoBorU&&(e.addTensor(this.symmetry.getTensor(this.acr.vwr,e.anisoBorU),null,!1),Float.isNaN(e.bfactor)&&(e.bfactor=100*e.anisoBorU[7]),e.anisoBorU=null)}});d(b,"setTimeReversal",function(a,c){this.symmetry.setTimeReversal(a,
c)},"~N,~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(),e=this.asc.ac;--e>=a;){var k=this.asc.atoms[e].vib;null!=k&&(0<k.modDim?k.setMoment():(k=k.clone(),c.toCartesian(k,!0),this.asc.atoms[e].vib=k),this.nVib++)}return this.nVib});d(b,"scaleFractionalVibs",function(){for(var a=this.getBaseSymmetry().getUnitCellParams(),a=JU.P3.new3(1/a[0],1/a[1],1/a[2]),c=
this.asc.getAtomSetAtomIndex(this.asc.iSet),e=this.asc.ac;--e>=c;){var k=this.asc.atoms[e].vib;null!=k&&k.scaleT(a)}});d(b,"getBaseSymmetry",function(){return null==this.baseSymmetry?this.symmetry:this.baseSymmetry});d(b,"finalizeUnitCell",function(a){null!=a&&null!=this.baseUnitCell&&(this.baseUnitCell[22]=Math.max(1,w(a.x)),this.baseUnitCell[23]=Math.max(1,w(a.y)),this.baseUnitCell[24]=Math.max(1,w(a.z)))},"JU.P3");R(b,"mident",null)});ba("JS");Y(["J.api.SymmetryInterface"],"JS.Symmetry","java.lang.ArrayIndexOutOfBoundsException $.IllegalArgumentException JU.BS $.JSJSONParser $.Lst $.M4 $.P3 $.PT $.Rdr J.api.Interface J.bspt.Bspt JS.PointGroup $.SpaceGroup $.SymmetryInfo $.SymmetryOperation $.UnitCell JU.Escape $.Logger $.SimpleUnitCell JV.FileManager".split(" "),
function(){var b=O(function(){this.cip=this.unitCell=this.symmetryInfo=this.pointGroup=this.spaceGroup=null;this.$isBio=!1;this.test=1;this.desc=null;$(this,arguments)},JS,"Symmetry",null,J.api.SymmetryInterface);l(b,"isBio",function(){return this.$isBio});G(b,function(){});l(b,"setPointGroup",function(a,c,e,k,b,f,g,d,h){this.pointGroup=JS.PointGroup.getPointGroup(null==a?null:a.pointGroup,c,e,k,b,f,g,d,h);return this},"J.api.SymmetryInterface,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B");l(b,"getPointGroupName",
function(){return this.pointGroup.getName()});l(b,"getPointGroupInfo",function(a,c,e,k,b,f){return null==c&&!e&&null!=this.pointGroup.textInfo?this.pointGroup.textInfo:null==c&&this.pointGroup.isDrawType(k,b,f)?this.pointGroup.drawInfo:e&&null!=this.pointGroup.info?this.pointGroup.info:this.pointGroup.getInfo(a,c,e,k,b,f)},"~N,~S,~B,~S,~N,~N");l(b,"setSpaceGroup",function(a){null==this.spaceGroup&&(this.spaceGroup=JS.SpaceGroup.getNull(!0,a,!1))},"~B");l(b,"addSpaceGroupOperation",function(a,c){return this.spaceGroup.addSymmetry(a,
c,!1)},"~S,~N");l(b,"addBioMoleculeOperation",function(a,c){this.$isBio=this.spaceGroup.isBio=!0;return this.spaceGroup.addSymmetry((c?"!":"")+"[[bio"+a,0,!1)},"JU.M4,~B");l(b,"setLattice",function(a){this.spaceGroup.setLatticeParam(a)},"~N");l(b,"getSpaceGroup",function(){return this.spaceGroup});l(b,"createSpaceGroup",function(a,c,e,k){this.spaceGroup=JS.SpaceGroup.createSpaceGroup(a,c,e,k);null!=this.spaceGroup&&JU.Logger.debugging&&JU.Logger.debug("using generated space group "+this.spaceGroup.dumpInfo());
return null!=this.spaceGroup},"~N,~S,~O,~N");l(b,"getSpaceGroupInfoObj",function(a,c,e,k){return JS.SpaceGroup.getInfo(this.spaceGroup,a,c,e,k)},"~S,~A,~B,~B");l(b,"getLatticeDesignation",function(){return this.spaceGroup.getLatticeDesignation()});l(b,"setFinalOperations",function(a,c,e,k,b,f,g){if(null!=c&&(c.startsWith("bio")||0<=c.indexOf(" *(")))this.spaceGroup.name=c;if(null!=g){var d=new JU.Lst;d.addLast(this.spaceGroup.operations[0]);for(var h=1;h<this.spaceGroup.operationCount;h++)g.contains(" "+
(h+1)+" ")&&d.addLast(this.spaceGroup.operations[h]);this.spaceGroup=JS.SpaceGroup.createSpaceGroup(-1,c+" *("+g.trim()+")",d,-1)}this.spaceGroup.setFinalOperationsForAtoms(a,e,k,b,f)},"~N,~S,~A,~N,~N,~B,~S");l(b,"getSpaceGroupOperation",function(a){return null==this.spaceGroup||null==this.spaceGroup.operations||a>=this.spaceGroup.operations.length?null:null==this.spaceGroup.finalOperations?this.spaceGroup.operations[a]:this.spaceGroup.finalOperations[a]},"~N");l(b,"getSpaceGroupXyz",function(a,c){return this.spaceGroup.getXyz(a,
c)},"~N,~B");l(b,"newSpaceGroupPoint",function(a,c,e,k,b,f,g){null==e&&null==this.spaceGroup.finalOperations&&(e=this.spaceGroup.operations[c],e.isFinalized||e.doFinalize());JS.Symmetry.newPoint(null==e?this.spaceGroup.finalOperations[c]:e,a,k,b,f,g)},"JU.P3,~N,JU.M4,~N,~N,~N,JU.P3");l(b,"rotateAxes",function(a,c,e,k){return 0==a?c:this.spaceGroup.finalOperations[a].rotateAxes(c,this.unitCell,e,k)},"~N,~A,JU.P3,JU.M3");l(b,"getSpaceGroupOperationCode",function(a){return this.spaceGroup.operations[a].subsystemCode},
"~N");l(b,"setTimeReversal",function(a,c){this.spaceGroup.operations[a].setTimeReversal(c)},"~N,~N");l(b,"getSpinOp",function(a){return this.spaceGroup.operations[a].getMagneticOp()},"~N");l(b,"addLatticeVectors",function(a){return this.spaceGroup.addLatticeVectors(a)},"JU.Lst");l(b,"getLatticeOp",function(){return this.spaceGroup.latticeOp});l(b,"getLatticeCentering",function(){return JS.SymmetryOperation.getLatticeCentering(this.getSymmetryOperations())});l(b,"getOperationRsVs",function(a){return(null==
this.spaceGroup.finalOperations?this.spaceGroup.operations:this.spaceGroup.finalOperations)[a].rsvs},"~N");l(b,"getSiteMultiplicity",function(a){return this.spaceGroup.getSiteMultiplicity(a,this.unitCell)},"JU.P3");l(b,"addSubSystemOp",function(a,c,e,k){this.spaceGroup.isSSG=!0;c=JS.SymmetryOperation.getXYZFromRsVs(c,e,!1);e=this.spaceGroup.addSymmetry(c,-1,!0);this.spaceGroup.operations[e].setSigma(a,k);return c},"~S,JU.Matrix,JU.Matrix,JU.Matrix");l(b,"getMatrixFromString",function(a,c,e){return JS.SymmetryOperation.getMatrixFromString(null,
a,c,e,!0)},"~S,~A,~B,~N");l(b,"getSpaceGroupName",function(){return null!=this.symmetryInfo?this.symmetryInfo.sgName:null!=this.spaceGroup?this.spaceGroup.getName():null!=this.unitCell&&0<this.unitCell.name.length?"cell="+this.unitCell.name:""});l(b,"getSpaceGroupNameType",function(a){return null==this.spaceGroup?null:this.spaceGroup.getNameType(a,this)},"~S");l(b,"setSpaceGroupName",function(a){null!=this.spaceGroup&&this.spaceGroup.setName(a)},"~S");l(b,"getLatticeType",function(){return null!=
this.symmetryInfo?this.symmetryInfo.latticeType:null==this.spaceGroup?"P":this.spaceGroup.latticeType});l(b,"getIntTableNumber",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableNo:null==this.spaceGroup?null:this.spaceGroup.intlTableNumber});l(b,"getIntTableNumberFull",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableNoFull:null==this.spaceGroup?null:null!=this.spaceGroup.intlTableNumberFull?this.spaceGroup.intlTableNumberFull:this.spaceGroup.intlTableNumber});
l(b,"getCoordinatesAreFractional",function(){return null==this.symmetryInfo||this.symmetryInfo.coordinatesAreFractional});l(b,"getCellRange",function(){return null==this.symmetryInfo?null:this.symmetryInfo.cellRange});l(b,"getSymmetryInfoStr",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.infoStr;if(null==this.spaceGroup)return"";this.symmetryInfo=new JS.SymmetryInfo;this.symmetryInfo.setSymmetryInfo(null,this.getUnitCellParams(),this.spaceGroup);return this.symmetryInfo.infoStr});
l(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:0});l(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});
l(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});l(b,"getAdditionalOperations",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.getAdditionalOperations();this.getSymmetryOperations();return this.spaceGroup.getAdditionalOperations()});
l(b,"isSimple",function(){return null==this.spaceGroup&&(null==this.symmetryInfo||null==this.symmetryInfo.symmetryOperations)});l(b,"setSymmetryInfo",function(a,c,e){this.symmetryInfo=new JS.SymmetryInfo;e=this.symmetryInfo.setSymmetryInfo(c,e,null);null!=e&&(this.setUnitCell(e,c.containsKey("jmolData")),this.unitCell.moreInfo=c.get("moreUnitCellInfo"),c.put("infoUnitCell",this.getUnitCellAsArray(!1)),this.setOffsetPt(c.get("unitCellOffset")),c=c.get("matUnitCellOrientation"),null!=c&&this.initializeOrientation(c),
JU.Logger.debugging&&JU.Logger.debug("symmetryInfos["+a+"]:\n"+this.unitCell.dumpInfo(!0,!0)));return this},"~N,java.util.Map,~A");l(b,"haveUnitCell",function(){return null!=this.unitCell});d(b,"setUnitCell",function(a,c){null==a&&(a=C(-1,[1,1,1,90,90,90]));this.unitCell=JS.UnitCell.fromParams(a,c);return this},"~A,~B");l(b,"unitCellEquals",function(a){return a.unitCell.isSameAs(this.unitCell)},"J.api.SymmetryInterface");l(b,"getUnitCellState",function(){return null==this.unitCell?"":this.unitCell.getState()});
l(b,"getMoreInfo",function(){return this.unitCell.moreInfo});d(b,"getUnitsymmetryInfo",function(){return this.unitCell.dumpInfo(!1,!0)});l(b,"initializeOrientation",function(a){this.unitCell.initOrientation(a)},"JU.M3");l(b,"unitize",function(a){this.unitCell.unitize(a)},"JU.T3");l(b,"toUnitCell",function(a,c){this.unitCell.toUnitCell(a,c)},"JU.T3,JU.T3");l(b,"toUnitCellRnd",function(a,c){this.unitCell.toUnitCellRnd(a,c)},"JU.T3,JU.T3");l(b,"toSupercell",function(a){return this.unitCell.toSupercell(a)},
"JU.P3");l(b,"toFractional",function(a,c){this.$isBio||this.unitCell.toFractional(a,c)},"JU.T3,~B");l(b,"toFractionalM",function(a){this.$isBio||this.unitCell.toFractionalM(a)},"JU.M4");l(b,"toCartesian",function(a,c){this.$isBio||this.unitCell.toCartesian(a,c)},"JU.T3,~B");l(b,"getUnitCellParams",function(){return this.unitCell.getUnitCellParams()});l(b,"getUnitCellAsArray",function(a){return this.unitCell.getUnitCellAsArray(a)},"~B");l(b,"getTensor",function(a,c){if(null==c)return null;null==this.unitCell&&
(this.unitCell=JS.UnitCell.fromParams(C(-1,[1,1,1,90,90,90]),!0));return this.unitCell.getTensor(a,c)},"JV.Viewer,~A");l(b,"getUnitCellVerticesNoOffset",function(){return this.unitCell.getVertices()});l(b,"getCartesianOffset",function(){return this.unitCell.getCartesianOffset()});l(b,"getFractionalOffset",function(){return this.unitCell.getFractionalOffset()});l(b,"setOffsetPt",function(a){this.unitCell.setOffset(a)},"JU.T3");l(b,"setOffset",function(a){var c=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(a,
c,0,0);this.unitCell.setOffset(c)},"~N");l(b,"getUnitCellMultiplier",function(){return this.unitCell.getUnitCellMultiplier()});l(b,"getUnitCellMultiplied",function(){var a=this.unitCell.getUnitCellMultiplied();if(a===this.unitCell)return this;var c=new JS.Symmetry;c.unitCell=a;return c});l(b,"getCanonicalCopy",function(a,c){return this.unitCell.getCanonicalCopy(a,c)},"~N,~B");l(b,"getUnitCellInfoType",function(a){return this.unitCell.getInfo(a)},"~N");l(b,"getUnitCellInfo",function(a){return this.unitCell.dumpInfo(!1,
a)},"~B");l(b,"isSlab",function(){return this.unitCell.isSlab()});l(b,"isPolymer",function(){return this.unitCell.isPolymer()});l(b,"checkDistance",function(a,c,e,k,b,f,g,d){return this.unitCell.checkDistance(a,c,e,k,b,f,g,d)},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");d(b,"getUnitCellVectors",function(){return this.unitCell.getUnitCellVectors()});l(b,"getUnitCell",function(a,c,e){if(null==a)return null;this.unitCell=JS.UnitCell.fromOABC(a,c);null!=e&&(this.unitCell.name=e);return this},"~A,~B,~S");l(b,
"getUnitCelld",function(a,c,e){if(null==a)return null;this.unitCell=JS.UnitCell.fromOABC(a,c);null!=e&&(this.unitCell.name=e);return this},"~A,~B,~S");l(b,"isSupercell",function(){return this.unitCell.isSupercell()});l(b,"notInCentroid",function(a,c,e){try{var k=new JU.BS,b=c.nextSetBit(0),f=a.getMolecules(),g=f.length,d=a.at,h=f[g-1].firstAtomIndex==a.am[d[b].mi].firstAtomIndex,m=new JU.P3,p=1==e[6];a=g;a:for(;0<=--a&&c.get(f[a].firstAtomIndex);){var n=f[a].atomList;m.set(0,0,0);for(var b=0,r=n.nextSetBit(0);0<=
r;r=n.nextSetBit(r+1))if(h||p)if(m.setT(d[r]),this.isNotCentroid(m,1,e,p))h&&k.set(r);else{if(!h)continue a}else m.add(d[r]),b++;(p||0<b&&this.isNotCentroid(m,b,e,!1))&&k.or(n)}return k}catch(l){if(da(l,Exception))return null;throw l;}},"JM.ModelSet,JU.BS,~A");d(b,"isNotCentroid",function(a,c,e,k){a.scale(1/c);this.toFractional(a,!1);return k?a.x+5E-6<=e[0]||a.x-5E-6>e[3]||a.y+5E-6<=e[1]||a.y-5E-6>e[4]||a.z+5E-6<=e[2]||a.z-5E-6>e[5]:a.x+5E-6<=e[0]||a.x+5E-5>e[3]||a.y+5E-6<=e[1]||a.y+5E-5>e[4]||a.z+
5E-6<=e[2]||a.z+5E-5>e[5]},"JU.P3,~N,~A,~B");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");l(b,"getSymmetryInfoAtom",function(a,c,e,k,b,f,g,d,h,m,p,n,r){return this.getDesc(a).getSymopInfo(c,e,k,b,f,g,d,h,m,p,n,r)},"JM.ModelSet,~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");
l(b,"getSpaceGroupInfo",function(a,c,e,k,b){var f=null==c;if(null==c){var g=a.getModelAuxiliaryInfo(a.vwr.am.cmi);null!=g&&(c=g.get("spaceGroup"))}g=null;null!=b&&(g=(new JS.Symmetry).setUnitCell(b,!1));return this.getDesc(a).getSpaceGroupInfo(this,e,c,0,null,null,null,0,-1,k,f,0,g,null)},"JM.ModelSet,~S,~N,~B,~A");l(b,"fcoord",function(a){return JS.SymmetryOperation.fcoord(a)},"JU.T3");l(b,"getV0abc",function(a,c){return null==this.unitCell?null:this.unitCell.getV0abc(a,c)},"~O,JU.M4");l(b,"getQuaternionRotation",
function(a){return null==this.unitCell?null:this.unitCell.getQuaternionRotation(a)},"~S");l(b,"getFractionalOrigin",function(){return this.unitCell.getFractionalOrigin()});l(b,"getState",function(a,c,e){var k=this.getFractionalOffset(),b=!1;if(null!=k&&(0!=k.x||0!=k.y||0!=k.z))e.append("; set unitcell ").append(JU.Escape.eP(k)),b=!0;k=this.getUnitCellMultiplier();null!=k&&(e.append("; set unitcell ").append(JU.SimpleUnitCell.escapeMultiplier(k)),b=!0);var k=null!=a.getInfo(c,"spaceGroupAssigned"),
f=a.getInfo(c,"spaceGroup");k&&null!=f&&(e.append("\n UNITCELL "+JU.Escape.e(a.getUnitCell(c).getUnitCellVectors())),e.append("\n MODELKIT SPACEGROUP "+JU.PT.esc(f)),b=!0);return b},"JM.ModelSet,~N,JU.SB");l(b,"getIterator",function(a,c,e,k){return J.api.Interface.getInterface("JS.UnitCellIterator",a,"script").set(this,c,a.ms.at,e,k)},"JV.Viewer,JM.Atom,JU.BS,~N");l(b,"toFromPrimitive",function(a,c,e,k){null==this.unitCell&&(this.unitCell=JS.UnitCell.fromOABC(e,!1));return this.unitCell.toFromPrimitive(a,
c,e,k)},"~B,~S,~A,JU.M3");l(b,"generateCrystalClass",function(a){var c=this.getSymmetryOperations(),e=new JU.Lst,k=null==a,b=0,f=0,g=0;k?(b=2.718281828459045,f=3.141592653589793,g=Math.log10(2E3),a=JU.P3.new3(b+1,f+2,g+3)):a=JU.P3.newP(a);if(null==c||null==this.unitCell)e.addLast(a);else{this.unitCell.toFractional(a,!0);var d=null,h=null;k&&(d=JU.P3.new3(f+4,g+5,b+6),this.unitCell.toFractional(d,!0),h=JU.P3.new3(g+7,b+8,f+9),this.unitCell.toFractional(h,!0));var f=new J.bspt.Bspt(3,0),g=f.allocateCubeIterator(),
b=new JU.P3,m=c.length;a:for(;0<=--m;){c[m].rotate2(a,b);g.initialize(b,0.001,!1);if(g.hasMoreElements())continue a;var p=JU.P3.newP(b);e.addLast(p);f.addTuple(p);k&&(null!=h&&(c[m].rotate2(h,b),e.addLast(JU.P3.newP(b))),null!=d&&(c[m].rotate2(d,b),e.addLast(JU.P3.newP(b))))}for(c=e.size();0<=--c;)b=e.get(c),k&&b.scale(0.5),this.unitCell.toCartesian(b,!0)}return e},"JU.P3");l(b,"calculateCIPChiralityForAtoms",function(a,c){a.setCursor(3);var e=this.getCIPChirality(a),k=a.getBoolean(603979960)?"CIPData":
"CIPDataTracker",k=J.api.Interface.getInterface("JS."+k,a,"script").set(a,c);k.setRule6Full(a.getBoolean(603979823));e.getChiralityForAtoms(k);a.setCursor(0)},"JV.Viewer,JU.BS");l(b,"calculateCIPChiralityForSmiles",function(a,c){a.setCursor(3);var e=this.getCIPChirality(a),k=J.api.Interface.getInterface("JS.CIPDataSmiles",a,"script").setAtomsForSmiles(a,c);e.getChiralityForAtoms(k);a.setCursor(0);return k.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");l(b,"getConventionalUnitCell",function(a,c){return null==this.unitCell||null==a?null:this.unitCell.getConventionalUnitCell(a,c)},"~S,JU.M3");l(b,"getUnitCellInfoMap",function(){return null==this.unitCell?null:this.unitCell.getInfo()});d(b,"setUnitCell",function(a){this.unitCell=JS.UnitCell.cloneUnitCell(a.unitCell)},"J.api.SymmetryInterface");l(b,"findSpaceGroup",function(a,c,e,k,b,f){return J.api.Interface.getInterface("JS.SpaceGroupFinder",
a,"eval").findSpaceGroup(a,c,e,k,this,b,f)},"JV.Viewer,JU.BS,~S,~A,~B,~B");l(b,"setSpaceGroupTo",function(a){this.symmetryInfo=null;this.spaceGroup=V(a,"JS.SpaceGroup")?a:JS.SpaceGroup.getSpaceGroupFromITAName(a.toString())},"~O");l(b,"removeDuplicates",function(a,c,e){var k=this.unitCell,b=a.at;a=a.occupancies;for(var f=null!=a,g=Array(c.length()),d=c.nextSetBit(0);0<=d;d=c.nextSetBit(d+1)){var h=g[d]=JU.P3.newP(b[d]);k.toFractional(h,!1);e?k.unitizeRnd(h):k.unitize(h)}for(d=c.nextSetBit(0);0<=d;d=
c.nextSetBit(d+1)){e=b[d];h=g[d];e=e.getAtomicAndIsotopeNumber();for(var k=f?a[d]:0,m=c.nextSetBit(d+1);0<=m;m=c.nextSetBit(m+1))e!=b[m].getAtomicAndIsotopeNumber()||f&&k!=a[m]||1.96E-6>h.distanceSquared(g[m])&&c.clear(m)}return c},"JM.ModelSet,JU.BS,~B");l(b,"getEquivPoints",function(a,c,e){var k=this.getSymmetryOperations();return null==k||null==this.unitCell?null:this.unitCell.getEquivPoints(c,e,k,null==a?new JU.Lst:a,0,0)},"JU.Lst,JU.P3,~S");l(b,"getEquivPointList",function(a,c,e){var k=this.getSymmetryOperations(),
b=0<=e.indexOf("newpt"),f=0<=e.indexOf("zapped"),d=a.size(),j=0<=e.indexOf("tofractional");if(0>e.indexOf("fromfractional"))for(var h=0;h<a.size();h++)this.toFractional(a.get(h),!0);e+=",fromfractional,tofractional";var m=0<c?0:d,p=c==d,n=0<c?c:d;p&&(c--,n--);f&&(n=0);var r=0<c?a.get(c):null;if(null!=k||null!=this.unitCell)for(h=c;h<d;h++)this.unitCell.getEquivPoints(a.get(h),e,k,a,m,n);!f&&(a.size()==c||a.get(c)!==r||p||b)&&d--;for(h=d-c;0<=--h;)a.removeItemAt(c);if(!j)for(h=a.size();--h>=c;)this.toCartesian(a.get(h),
!0)},"JU.Lst,~N,~S");l(b,"getInvariantSymops",function(a,c){var e=this.getSymmetryOperations();if(null==e)return L(0,0);for(var k=new JU.BS,b=new JU.P3,f=new JU.P3,d=e.length,j=1;j<d;j++)b.setT(a),this.unitCell.toFractional(b,!0),this.unitCell.unitize(b),f.setT(b),e[j].rotTrans(b),this.unitCell.unitize(b),1.96E-6>f.distanceSquared(b)&&k.set(j);e=L(k.cardinality(),0);if(null!=c&&e.length!=c.length)return null;b=0;for(j=1;j<d;j++)if(k.get(j)){if(null!=c&&c[b]!=j+1)return null;e[b++]=j+1}return e},"JU.P3,~A");
l(b,"getWyckoffPosition",function(a,c,e){if(null==this.unitCell)return"";var k=this.spaceGroup;if(null==k&&null!=this.symmetryInfo&&(k=JS.SpaceGroup.determineSpaceGroupN(this.symmetryInfo.sgName),null==k&&(k=JS.SpaceGroup.getSpaceGroupFromITAName(this.symmetryInfo.intlTableNoFull)),null==k))return"?";null==c?c=JU.P3.new3(0.45999998,0.3285714,0.25555554):(c=JU.P3.newP(c),this.unitCell.toFractional(c,!0));null==JS.Symmetry.wyckoffFinder&&(JS.Symmetry.wyckoffFinder=J.api.Interface.getInterface("JS.WyckoffFinder",
null,"symmetry"));try{var b=JS.Symmetry.wyckoffFinder.getWyckoffFinder(a,k.intlTableNumberFull);if(null==e)return b.getWyckoffPosition(c);if(null==b.findPositionFor(c,e))return null;this.unitCell.toCartesian(c,!0);return c}catch(f){if(da(f,Exception))return f.printStackTrace(),null==e?"?":null;throw f;}},"JV.Viewer,JU.P3,~S");l(b,"getTransform",function(a,c,e){return this.getDesc(null).getTransform(this.unitCell,this.getSymmetryOperations(),a,c,e)},"JU.P3,JU.P3,~B");b.newPoint=d(b,"newPoint",function(a,
c,e,k,b,f){a.rotTrans2(c,f);f.add3(e,k,b)},"JU.M4,JU.P3,~N,~N,~N,JU.P3");l(b,"isWithinUnitCell",function(a,c,e,b){return this.unitCell.isWithinUnitCell(c,e,b,a)},"JU.P3,~N,~N,~N");l(b,"checkPeriodic",function(a){return this.unitCell.checkPeriodic(a)},"JU.P3");l(b,"convertOperation",function(a,c){if(null==c){var e=C(16,0);JS.SymmetryOperation.getMatrixFromString(null,a,e,!0,!1);e[3]/=12;e[7]/=12;e[11]/=12;return JU.M4.newA16(e)}return JS.SymmetryOperation.getXYZFromMatrixFrac(c,!1,!1,!1,!0)},"~S,JU.M4");
l(b,"getSpaceGroupJSON",function(a,c,e,b){var d=e;try{var f=e.indexOf("("),g=e.endsWith(")")&&0<f,j=null;g&&(j=e.substring(f+1,e.length-1),e=e.substring(0,f));var h=e.equalsIgnoreCase("ALL")?0:JU.PT.parseInt(e),m=-2147483648!=h,f=e.indexOf(".");!g&&(m&&0==b&&0<f)&&(b=JU.PT.parseInt(e.substring(f+1)),e=e.substring(0,f));if(m&&(230<h||0>h))throw new ArrayIndexOutOfBoundsException(h);if(c.equalsIgnoreCase("ITA")){if(0==h)return null==JS.Symmetry.allDataITA&&(JS.Symmetry.allDataITA=this.getResource(a,
"sg/json/ita_all.json")),JS.Symmetry.allDataITA;if(-2147483648==h&&(null==JS.Symmetry.listDataITA&&(JS.Symmetry.listDataITA=this.getResource(a,"sg/json/ita_list.json")),0==h))return JS.Symmetry.allDataITA;null==JS.Symmetry.itaData&&(JS.Symmetry.itaData=Array(230));var p=JS.Symmetry.itaData[h-1];null==p&&(JS.Symmetry.itaData[h-1]=p=this.getResource(a,"sg/json/ita_"+h+".json"));if(null!=p){if(0==b)return p;var n=p.get("its");if(null!=n)for(var r=m?b:n.size();0<=--r;){var l=n.get(r);if(r==b-1||e.equals(l.get("itaFull"))||
null!=j&&j.equals(l.get("tm")))return l}}}else if(c.equalsIgnoreCase("AFLOW")&&null==j){null==JS.Symmetry.aflowStructures&&(JS.Symmetry.aflowStructures=this.getResource(a,"sg/json/aflow_structures.json"));if(0==h)return JS.Symmetry.aflowStructures;System.out.println(e+" ? "+b);var t=JS.Symmetry.aflowStructures.get(""+e);if(b<=t.size())return 0==b?t:t.get(b-1)}throw new IllegalArgumentException(d);}catch(s){if(da(s,Exception))return s.getMessage();throw s;}},"JV.Viewer,~S,~S,~N");d(b,"getResource",
function(a,c){try{var e=JV.FileManager.getBufferedReaderForResource(a,this,"JS/",c),b=Array(1);if(JU.Rdr.readAllAsString(e,2147483647,!1,b,0))return(new JU.JSJSONParser).parse(b[0],!0)}catch(d){System.err.println(d.getMessage())}return null},"JV.Viewer,~S");R(b,"wyckoffFinder",null,"nullDesc",null,"aflowStructures",null,"itaData",null,"allDataITA",null,"listDataITA",null)});ba("JS");Y(["JU.M3","$.V3"],"JS.PointGroup","java.lang.Float java.util.Hashtable JU.Lst $.P3 $.PT $.Quat $.SB J.bspt.Bspt JU.BSUtil $.Escape $.Logger $.Point3fi".split(" "),
function(){var b=O(function(){this.isAtoms=!1;this.iter=this.textInfo=this.info=this.drawInfo=null;this.drawType="";this.drawIndex=0;this.scale=NaN;this.axes=this.nAxes=null;this.radius=this.nAtoms=0;this.distanceTolerance=0.25;this.distanceTolerance2=0;this.linearTolerance=8;this.cosTolerance=0.99;this.name="C_1?";this.vTemp=this.principalPlane=this.principalAxis=null;this.centerAtomIndex=-1;this.haveInversionCenter=!1;this.bsAtoms=this.atomMap=this.elements=this.points=this.center=null;this.$isLinear=
this.localEnvOnly=this.haveVibration=!1;this.maxAtoms=250;this.maxElement=0;this.eCounts=null;this.nOps=0;ra("JS.PointGroup.Operation")||JS.PointGroup.$PointGroup$Operation$();$(this,arguments)},JS,"PointGroup");ia(b,function(){this.nAxes=L(JS.PointGroup.maxAxis,0);this.axes=Array(JS.PointGroup.maxAxis);this.vTemp=new JU.V3});d(b,"getName",function(){return this.name});d(b,"getHermannMauguinName",function(){return JS.PointGroup.getHMfromSFName(this.name)});b.getPointGroup=d(b,"getPointGroup",function(a,
c,e,b,d,f,g,j,h){var m=new JS.PointGroup;0>=f&&(f=0.01);0>=g&&(g=0.5);0>=j&&(j=250);m.distanceTolerance=f;m.distanceTolerance2=f*f;m.linearTolerance=g;m.maxAtoms=j;m.isAtoms=null!=b;m.bsAtoms=m.isAtoms?b:JU.BSUtil.newBitSet2(0,e.length);m.haveVibration=d;m.center=c;m.localEnvOnly=h;JU.Logger.debugging&&(a=null);return m.set(a,e)?m:a},"JS.PointGroup,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B");G(b,function(){});d(b,"isEqual",function(a){if(null==a||(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 e=Array(this.points.length),b=this.points.length;0<=--b;){e[b]=JU.P3.newP(this.points[b]);var d=this.points[b].getVibrationVector();null!=d&&e[b].add(d)}this.points=e}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]++]=ja(JS.PointGroup.Operation,this,null,this.vTemp)),!0;this.axes[0]=Array(15);e=0;this.findCAxes();e=this.findPlanes();this.findAdditionalAxes(e);var f=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<e?this.haveInversionCenter?"Th":"Td":"T";else if(2>f){if(1==e)return this.name="Cs",!0;if(this.haveInversionCenter)return this.name="Ci",!0;this.name="C1"}else 1==f%2&&0<this.nAxes[16]||0==f%2&&1<this.nAxes[16]?(this.principalAxis=this.setPrincipalAxis(f,e),0==e?this.name=14>f?"S"+f:"D"+(f-14):(f=14>f?F(f/2):f-14,this.name=e==f?"D"+f+"d":"D"+f+"h")):0==e?(this.principalAxis=this.axes[f][0],this.name=14>f?"S"+f:"C"+(f-14)):e==f-14?(this.principalAxis=this.axes[f][0],this.name="C"+e+"v"):
(this.principalAxis=this.axes[14>f?f+14:f][0],this.principalPlane=this.axes[0][0],this.name="C"+(14>f?f/2:f-14)+"h")}catch(g){if(da(g,Exception))this.name="??";else throw g;}finally{JU.Logger.info("Point group found: "+this.name)}return!0},"JS.PointGroup,~A");d(b,"setPrincipalAxis",function(a,c){var e=this.setPrincipalPlane(a,c);if(0==c&&14>a||1==this.nAxes[a])return 0<c&&14>a&&(a=14+F(a/2)),this.axes[a][0];if(null==e)return null;for(var b=0;b<this.nAxes[16];b++)if(this.isParallel(e.normalOrAxis,
this.axes[16][b].normalOrAxis))return 0!=b&&(e=this.axes[16][0],this.axes[16][0]=this.axes[16][b],this.axes[16][b]=e),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 e=0;e<c;e++)for(var b=0,d=0;b<c;b++)if(this.isPerpendicular(this.axes[0][e].normalOrAxis,this.axes[0][b].normalOrAxis)&&2<++d)return 0!=e&&(b=this.axes[0][0],this.axes[0][0]=this.axes[0][e],this.axes[0][e]=b),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=L(c,0);if(0==c)return!0;for(var e=0,c=this.bsAtoms.nextSetBit(0);0<=c;c=this.bsAtoms.nextSetBit(c+1)){var b=a[c];V(b,"JU.Node")&&(e=Math.max(e,b.i))}this.atomMap=L(e+1,0);this.nAtoms=0;if(e=null==this.center)this.center=new JU.P3;for(var d=new J.bspt.Bspt(3,0),c=this.bsAtoms.nextSetBit(0);0<=c;c=this.bsAtoms.nextSetBit(c+
1),this.nAtoms++){b=a[c];if(V(b,"JU.Node")){var f=this.localEnvOnly?1:1+Math.max(3,b.getCovalentBondCount());this.elements[this.nAtoms]=b.getElementNumber()*f;this.atomMap[b.i]=this.nAtoms+1}else f=new JU.Point3fi,f.setT(b),f.i=-1-this.nAtoms,V(b,"JU.Point3fi")&&(this.elements[this.nAtoms]=Math.max(0,b.sD)),b=f;d.addTuple(b);e&&this.center.add(b);this.points[this.nAtoms]=b}this.iter=d.allocateCubeIterator();e&&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]=ja(JS.PointGroup.Operation,this,null)});d(b,"checkOperation",function(a,c,e){var b=new JU.P3,d=0;e=14>e;var f=this.points.length,g=f;a:for(;0<=--g&&d<f;)if(g!=this.centerAtomIndex){var j=this.points[g],h=this.elements[g];null!=a?(b.sub2(j,c),a.transform2(b,b).add(c)):b.setT(j);e&&(this.vTemp.sub2(c,b),b.scaleAdd2(2,this.vTemp,b));if((null!=a||e)&&b.distanceSquared(j)<this.distanceTolerance2)d++;else{for(this.iter.initialize(b,this.distanceTolerance,!1);this.iter.hasMoreElements();){var m=
this.iter.nextElement();if(m!==j){var p=this.getPointIndex(m.i);if(!(0<=this.centerAtomIndex&&p==this.centerAtomIndex||p>=this.elements.length||this.elements[p]!=h)&&b.distanceSquared(m)<this.distanceTolerance2){d++;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 e=a.length;0<=--e;)if(e!=this.centerAtomIndex)if(null==c)c=new JU.V3,c.sub2(a[e],this.center),
c.normalize(),this.vTemp.setT(c);else if(this.vTemp.sub2(a[e],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=L(++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,e=new JU.V3,b=this.points.length;0<=--b;)if(b!=this.centerAtomIndex)for(var d=this.points[b],f=this.elements[b],g=this.points.length;--g>b;){var j=this.points[g];if(this.elements[g]==f)if(a.sub2(d,this.center),c.sub2(j,this.center),a.normalize(),c.normalize(),this.isParallel(a,c))this.getAllAxes(a);else{this.nAxes[16]<JS.PointGroup.axesMaxN[16]&&(e.ave(d,j),e.sub(this.center),
this.getAllAxes(e));var j=6.283185307179586/a.angle(c),h=F(Math.floor(j+0.01));if(0.02>=j-h&&!((h+=14)>=JS.PointGroup.maxAxis)&&this.nAxes[h]<JS.PointGroup.axesMaxN[h])e.cross(a,c),this.checkAxisOrder(h,e,this.center)}}d=Array(2*this.nAxes[16]);for(b=0;b<d.length;b++)d[b]=new JU.V3;for(b=g=0;b<this.nAxes[16];b++)d[g++].setT(this.axes[16][b].normalOrAxis),d[g].setT(this.axes[16][b].normalOrAxis),d[g++].scale(-1);for(b=d.length;2<=--b;)for(g=b;1<=--g;)for(f=g;0<=--f;)e.add2(d[b],d[g]),e.add(d[f]),1>
e.length()||this.checkAxisOrder(17,e,this.center);g=2147483647;d=-1;for(b=0;b<this.maxElement;b++)this.eCounts[b]<g&&2<this.eCounts[b]&&(g=this.eCounts[b],d=b);b=0;a:for(;b<this.points.length-2;b++)if(this.elements[b]==d)for(g=b+1;g<this.points.length-1;g++)if(this.elements[g]==d)for(f=g+1;f<this.points.length;f++)if(this.elements[f]==d&&(a.sub2(this.points[b],this.points[g]),c.sub2(this.points[b],this.points[f]),a.normalize(),c.normalize(),e.cross(a,c),this.getAllAxes(e),a.add2(this.points[b],this.points[g]),
a.add(this.points[f]),a.normalize(),this.isParallel(a,e)||this.getAllAxes(a),this.nAxes[19]==JS.PointGroup.axesMaxN[19]))break a;d=Array(this.maxElement);for(b=this.points.length;0<=--b;){f=this.elements[b];if(null==d[f])d[f]=new JU.V3;else if(this.haveInversionCenter)continue;d[f].add(this.points[b])}if(!this.haveInversionCenter)for(b=0;b<this.maxElement;b++)null!=d[b]&&d[b].scale(1/this.eCounts[b]);for(b=0;b<this.maxElement;b++)if(null!=d[b])for(g=0;g<this.maxElement;g++)b==g||null==d[g]||(this.haveInversionCenter?
a.cross(d[b],d[g]):a.sub2(d[b],d[g]),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,e){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 b=JS.PointGroup.getQuaternion(c,a);if(!this.checkOperation(b,e,a))return!1;this.addAxis(a,c);switch(a){case 16:this.checkAxisOrder(4,c,e);break;case 17:this.checkAxisOrder(3,c,e);this.haveInversionCenter&&this.addAxis(6,c);break;case 18:this.addAxis(16,
c);this.checkAxisOrder(4,c,e);this.checkAxisOrder(8,c,e);break;case 19:this.checkAxisOrder(5,c,e);this.haveInversionCenter&&this.addAxis(10,c);break;case 20:this.addAxis(16,c);this.addAxis(17,c);this.checkAxisOrder(3,c,e);this.checkAxisOrder(6,c,e);this.checkAxisOrder(12,c,e);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]++]=
ja(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 e=this.nAxes[a];0<=--e;)if(this.isParallel(c,this.axes[a][e].normalOrAxis))return!0;return!1},"~N,JU.V3");d(b,"findPlanes",function(){for(var a=new JU.P3,c=new JU.V3,e=new JU.V3,b=new JU.V3,d=0,f=1<this.getHighestOrder(),g=this.points.length;0<=--g;)if(g!=this.centerAtomIndex)for(var j=this.points[g],h=this.elements[g],m=this.points.length;--m>
g;)if(!(f&&this.elements[m]!=h)&&(d=this.points[m],a.add2(j,d),a.scale(0.5),c.sub2(j,this.center),e.sub2(d,this.center),c.normalize(),e.normalize(),this.isParallel(c,e)||(b.cross(c,e),b.normalize(),this.getPlane(b)),b.sub2(d,j),b.normalize(),d=this.getPlane(b),d==JS.PointGroup.axesMaxN[0]))return d;if(f)for(g=16;g<JS.PointGroup.maxAxis;g++)for(m=0;m<this.nAxes[g];m++)d=this.getPlane(this.axes[g][m].normalOrAxis);return d});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]++]=ja(JS.PointGroup.Operation,this,null,a));return this.nAxes[0]},"JU.V3");d(b,"findAdditionalAxes",function(a){var c=this.axes[0],e=0;if(1<a&&(e=a+14)<JS.PointGroup.maxAxis&&0==this.nAxes[e])this.vTemp.cross(c[0].normalOrAxis,c[1].normalOrAxis),!this.checkAxisOrder(e,this.vTemp,this.center)&&2<a&&(this.vTemp.cross(c[1].normalOrAxis,c[2].normalOrAxis),this.checkAxisOrder(e-1,this.vTemp,this.center));if(0==this.nAxes[16]&&2<a)for(e=0;e<a-1;e++)for(var b=
e+1;b<a;b++)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:F(360/(c%14))))},"JU.V3,~N");d(b,"getInfo",function(a,c,e,b,d,f){var g=null!=c;this.info=e?new java.util.Hashtable:null;var j=new JU.V3,h;0==f&&(f=1);this.scale=f;for(var m=L(4,2,0),p=1;p<JS.PointGroup.maxAxis;p++)for(var n=this.nAxes[p];0<=--n;)m[this.axes[p][n].type][0]++;var r=(new JU.SB).append("# ").appendI(this.nAtoms).append(" atoms\n"),
l=JS.PointGroup.getHMfromSFName(this.name);if(g){c="draw "+c;this.drawType=b=(e=null!=b&&0<b.length)?b:"";this.drawIndex=d;var g=b.equalsIgnoreCase("Cn"),t=b.equalsIgnoreCase("Sn");r.append("set perspectivedepth off;\n");var s="_"+a+"_";e||r.append(c+"pg0").append(s).append("* delete;draw pgva").append(s).append("* delete;draw pgvp").append(s).append("* delete;");if(!e||b.equalsIgnoreCase("Ci"))r.append(c+"pg0").append(s).append(this.haveInversionCenter?"inv ":" ").append(JU.Escape.eP(this.center)).append(this.haveInversionCenter?
'"i";\n':";\n");for(var w=0.1,p=2;p<JS.PointGroup.maxAxis;p++)if(14==p&&(w=0.1),0!=this.nAxes[p]){a=!this.$isLinear?this.axes[p][0].getLabel():"C_infinity";var w=w+0.25,z=f*this.radius+w,n=14<=p;if(!e||b.equalsIgnoreCase(a)||g&&n||t&&!n)for(n=0;n<this.nAxes[p];n++)if(!(0<d&&n+1!=d)){h=this.axes[p][n];j.add2(h.normalOrAxis,this.center);2==h.type&&(z=-z);r.append(c+"pgva").append(s).append(a).append("_").appendI(n+1).append(" width 0.05 scale ").appendF(z).append(" ").append(JU.Escape.eP(j));j.scaleAdd2(-2,
h.normalOrAxis,j);var u=!this.$isLinear&&null!=this.principalAxis&&h.index==this.principalAxis.index;r.append(JU.Escape.eP(j)).append('"').append(a).append(u?"*":"").append('" color ').append(u?"red":2==h.type?"blue":"orange").append(";\n")}}if(!e||b.equalsIgnoreCase("Cs"))for(n=0;n<this.nAxes[0];n++)0<d&&n+1!=d||(h=this.axes[0][n],r.append(c+"pgvp").append(s).appendI(n+1).append("disk scale ").appendF(2*f*this.radius).append(" CIRCLE PLANE ").append(JU.Escape.eP(this.center)),j.add2(h.normalOrAxis,
this.center),r.append(JU.Escape.eP(j)).append(" color translucent yellow;\n"),j.add2(h.normalOrAxis,this.center),r.append(c+"pgvp").append(s).appendI(n+1).append("ring width 0.05 scale ").appendF(2*f*this.radius).append(" arc ").append(JU.Escape.eP(j)),j.scaleAdd2(-2,h.normalOrAxis,j),r.append(JU.Escape.eP(j)),j.add3(0.011,0.012,0.013),r.append(JU.Escape.eP(j)).append("{0 360 0.5} color ").append(null!=this.principalPlane&&h.index==this.principalPlane.index?"red":"blue").append(";\n"));l=this.name+
"("+l+")";r.append("# name=").append(l);r.append(", nCi=").appendI(this.haveInversionCenter?1:0);r.append(", nCs=").appendI(this.nAxes[0]);r.append(", nCn=").appendI(m[1][0]);r.append(", nSn=").appendI(m[2][0]);r.append(": ");for(p=JS.PointGroup.maxAxis;2<=--p;)0<this.nAxes[p]&&(r.append(" n").append(14>p?"S":"C").appendI(p%14),r.append("=").appendI(this.nAxes[p]));r.append(";\n");r.append("print '"+l+"';\n");this.drawInfo=r.toString();JU.Logger.debugging&&JU.Logger.info(this.drawInfo);return this.drawInfo}n=
0;c=1;b=0;p=this.haveInversionCenter?"Ci":"center";this.haveInversionCenter&&(c++,b++);e?null!=this.center&&(this.info.put(p,this.center),this.haveInversionCenter&&this.info.put("center",this.center),this.info.put(p,this.center)):r.append("\n\n").append(this.name).append("\t").append(p).append("\t").append(JU.Escape.eP(this.center));for(p=JS.PointGroup.maxAxis;0<=--p;)if(0<this.nAxes[p]){n=JS.PointGroup.nUnique[p];a=this.axes[p][0].getLabel();e?this.info.put("n"+a,Integer.$valueOf(this.nAxes[p])):
r.append("\n\n").append(this.name).append("\tn").append(a).append("\t").appendI(this.nAxes[p]).append("\t").appendI(n);n*=this.nAxes[p];c+=n;b+=this.nAxes[p];m[this.axes[p][0].type][1]+=n;d=e?new JU.Lst:null;f=e?new JU.Lst:null;for(n=0;n<this.nAxes[p];n++)j=this.axes[p][n],e?(d.addLast(j.normalOrAxis),f.addLast(j.getM3())):r.append("\n").append(this.name).append("\t").append(a).append("_").appendI(n+1).append("\t").appendO(j.normalOrAxis);e&&(this.info.put(a,d),this.info.put(a+"_m",f))}if(!e)return r.append("\n"),
r.append("\n").append(this.name).append("\ttype\tnElements\tnUnique"),r.append("\n").append(this.name).append("\tE\t  1\t  1"),n=this.haveInversionCenter?1:0,r.append("\n").append(this.name).append("\tCi\t  ").appendI(n).append("\t  ").appendI(n),r.append("\n").append(this.name).append("\tCs\t"),JU.PT.rightJustify(r,"    ",this.nAxes[0]+"\t"),JU.PT.rightJustify(r,"    ",this.nAxes[0]+"\n"),r.append(this.name).append("\tCn\t"),JU.PT.rightJustify(r,"    ",m[1][0]+"\t"),JU.PT.rightJustify(r,"    ",m[1][1]+
"\n"),r.append(this.name).append("\tSn\t"),JU.PT.rightJustify(r,"    ",m[2][0]+"\t"),JU.PT.rightJustify(r,"    ",m[2][1]+"\n"),r.append(this.name).append("\t\tTOTAL\t"),JU.PT.rightJustify(r,"    ",c+"\n"),this.textInfo=r.toString();this.info.put("name",this.name);this.info.put("hmName",l);this.info.put("nAtoms",Integer.$valueOf(this.nAtoms));this.info.put("nTotal",Integer.$valueOf(c));this.info.put("nElements",Integer.$valueOf(b));this.info.put("nCi",Integer.$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(m[1][0]));this.info.put("nSn",Integer.$valueOf(m[2][0]));this.info.put("distanceTolerance",Float.$valueOf(this.distanceTolerance));this.info.put("linearTolerance",Float.$valueOf(this.linearTolerance));this.info.put("points",this.points);this.info.put("detail",r.toString().$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,e){return null!=this.drawInfo&&this.drawType.equals(null==a?"":a)&&this.drawIndex==c&&this.scale==e},"~S,~N,~N");b.getHMfromSFName=d(b,"getHMfromSFName",function(a){if(null==JS.PointGroup.htSFToHM){JS.PointGroup.htSFToHM=new java.util.Hashtable;for(var c=
JS.PointGroup.SF2HM,e=0;e<c.length;e++){var b=c[e].$plit(","),d=b[0];if(2==b.length)JS.PointGroup.htSFToHM.put(d,b[1]);else{for(var f=d.substring(0,1),d=d.substring(2,d.length),g=1;13>g;g++){var j=b[g];0<j.length&&(JS.PointGroup.htSFToHM.put(f+g+d,j),System.out.println(f+g+d+"\t"+j))}14==b.length&&JS.PointGroup.htSFToHM.put(f+"\u0221e"+d,b[13])}}}return JS.PointGroup.htSFToHM.get(a)},"~S");b.$PointGroup$Operation$=function(){var a=O(function(){sa(this,arguments);this.index=this.order=this.type=0;
this.normalOrAxis=null;this.typeOrder=0;this.mat=null;$(this,arguments)},JS.PointGroup,"Operation");G(a,function(){this.index=++this.b$["JS.PointGroup"].nOps;this.type=3;this.typeOrder=this.order=1;JU.Logger.debugging&&JU.Logger.debug("new operation -- "+JS.PointGroup.typeNames[this.type])});G(a,function(a,e){this.index=++this.b$["JS.PointGroup"].nOps;this.type=14>e?2:1;this.typeOrder=e;this.order=e%14;this.normalOrAxis=JU.Quat.newVA(a,180).getNormal();JU.Logger.debugging&&JU.Logger.debug("new operation -- "+
(this.order==e?"S":"C")+this.order+" "+this.normalOrAxis)},"JU.V3,~N");G(a,function(a){null!=a&&(this.index=++this.b$["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(){switch(this.type){case 0:return"Cs";case 2:return"S"+this.order;default:return"C"+this.order}});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 e=0;3>e;e++)for(var b=0;3>b;b++)a.setElement(e,b,this.approx0(a.getElement(e,b)))},"JU.M3");d(a,"approx0",function(a){return 1E-15<a||-1E-15>a?a:0},"~N")};R(b,"axesMaxN",L(-1,[15,0,0,1,3,1,10,0,1,0,6,0,1,0,0,0,15,10,6,6,10,0,1]),"nUnique",L(-1,[1,0,0,2,2,4,2,0,4,0,4,0,4,0,0,0,1,2,2,4,2,0,4]));b.maxAxis=b.prototype.maxAxis=JS.PointGroup.axesMaxN.length;
R(b,"typeNames",Q(-1,["plane","proper axis","improper axis","center of inversion"]));b.mInv=b.prototype.mInv=JU.M3.newA9(C(-1,[-1,0,0,0,-1,0,0,0,-1]));b.SF2HM=b.prototype.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,,-4,,-3,,-8,,-5,,(-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("\\|");
R(b,"htSFToHM",null)});ba("JS");Y(["java.util.Hashtable"],"JS.SpaceGroup","java.util.Arrays JU.AU $.Lst $.M4 $.P3 $.PT $.SB JS.HallInfo $.HallTranslation $.SymmetryOperation JU.Logger".split(" "),function(){var b=O(function(){this.xyzList=this.allOperations=this.finalOperations=this.operations=null;this.index=0;this.isSSG=!1;this.name="unknown!";this.hmSymbolAbbrShort=this.hmSymbolAlternative=this.hmSymbolAbbr=this.hmSymbolExt=this.hmSymbolFull=this.hmSymbol=this.crystalClass=this.hallSymbol=null;
this.axisChoice=this.uniqueAxis=this.ambiguityType="\x00";this.hallInfo=this.intlTableNumberExt=this.intlTableNumberFull=this.intlTableNumber=null;this.operationCount=this.latticeParameter=0;this.latticeOp=-1;this.modDim=0;this.doNormalize=!0;this.isBilbao=this.isBio=!1;this.latticeType="P";this.info=this.nHallOperators=null;$(this,arguments)},JS,"SpaceGroup",null,Cloneable);d(b,"cloneInfoTo",function(a){try{var c=this.clone();c.operations=a.operations;c.finalOperations=a.finalOperations;c.xyzList=
a.xyzList;return c}catch(e){if(da(e,"CloneNotSupportedException"))return null;throw e;}},"JS.SpaceGroup");b.getNull=d(b,"getNull",function(a,c,e){JS.SpaceGroup.getSpaceGroups();a=new JS.SpaceGroup(-1,null,a);a.doNormalize=c;e&&a.setFinalOperations();return a},"~B,~B,~B");G(b,function(a,c,e){++JS.SpaceGroup.sgIndex;0>a&&(a=JS.SpaceGroup.sgIndex);this.index=a;this.init(e&&null==c);e&&null!=c&&this.buildSpaceGroup(c)},"~N,~S,~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,e,b){var d=null;0<=a?d=JS.SpaceGroup.getSpaceGroups()[a]:(d=V(e,"JU.Lst")?JS.SpaceGroup.createSGFromList(c,e):JS.SpaceGroup.determineSpaceGroupNA(c,e),null==d&&(d=JS.SpaceGroup.createSpaceGroupN(0>=b?c:"x1,x2,x3,x4,x5,x6,x7,x8,x9".substring(0,3*b+8))));null!=d&&d.generateAllOperators(null);return d},"~N,~S,~O,~N");b.createSGFromList=d(b,"createSGFromList",function(a,c){var e=new JS.SpaceGroup(-1,"0;0;--;--;--",
!0);e.doNormalize=!1;e.name=a;for(var b=c.size(),d=0;d<b;d++){var f=c.get(d);if(V(f,"JS.SymmetryOperation")){var g=e.addOp(f,f.xyz,!1);e.operations[g].setTimeReversal(f.timeReversal)}else e.addSymmetrySM("xyz matrix:"+f,f)}b=e.getDerivedSpaceGroup();null!=b&&(e=b);return e},"~S,JU.Lst");d(b,"addSymmetry",function(a,c,e){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,e)},"~S,~N,~B");d(b,
"setFinalOperations",function(){this.setFinalOperationsForAtoms(3,null,0,0,!1)});d(b,"setFinalOperationsForAtoms",function(a,c,e,b,d){if(null==this.hallInfo&&0!=this.latticeParameter){var f=new JS.HallInfo(JS.HallTranslation.getHallLatticeEquivalent(this.latticeParameter));this.generateAllOperators(f)}this.finalOperations=null;this.isBio=0<=this.name.indexOf("bio");this.index>=JS.SpaceGroup.getSpaceGroups().length&&(!this.isBio&&0>this.name.indexOf("SSG:")&&0>this.name.indexOf("[subsystem"))&&(f=
this.getDerivedSpaceGroup(),null!=f&&(this.name=f.getName(),this.latticeType=f.latticeType,this.intlTableNumber=f.intlTableNumber));0==this.operationCount&&this.addOperation("x,y,z",1,!1);this.finalOperations=Array(this.operationCount);var f=null,g=d&&0<b&&null!=c;if(g){f=this.finalOperations[0]=new JS.SymmetryOperation(this.operations[0],0,!0);null==f.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(a,f,c,e,b);var j=c[e],h=JU.P3.newP(j);f.rotTrans(h);if(1E-4<h.distance(j))for(var m=0;m<b;m++)j=
c[e+m],h.setT(j),f.rotTrans(h),j.setT(h);d||(f=null)}for(m=0;m<this.operationCount;m++){if(0<m||null==f)f=this.finalOperations[m]=new JS.SymmetryOperation(this.operations[m],0,d);g&&null==f.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(a,f,c,e,b);f.getCentering()}},"~N,~A,~N,~N,~B");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.operations[a].getXyz(c):
this.finalOperations[a].getXyz(c)},"~N,~B");b.getInfo=d(b,"getInfo",function(a,c,e,b,d){try{if(null!=a&&a.index>=JS.SpaceGroup.SG.length){var f=JS.SpaceGroup.findSpaceGroup(a.operationCount,a.getCanonicalSeitzList());null!=f&&(a=f)}if(null!=e){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,e)}}else{if(c.equalsIgnoreCase("ALL"))return JS.SpaceGroup.dumpAll(b);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 g=JS.SpaceGroup.createSpaceGroupN(c);null!=g&&(g=JS.SpaceGroup.findSpaceGroup(g.operationCount,g.getCanonicalSeitzList()));null!=g&&(a=g)}if(null!=a){if(b)return a.dumpInfoObj();for(var j=new JU.SB;null!=a;){j.append(a.dumpInfo());if(a.index>=JS.SpaceGroup.SG.length||!d)break;a=JS.SpaceGroup.determineSpaceGroupNS(c,a)}return j.toString()}return b?null:"?"}catch(h){if(da(h,
Exception))return"?";throw h;}},"JS.SpaceGroup,~S,~A,~B,~B");d(b,"dumpInfo",function(){var a=this.dumpCanonicalSeitzList();if(V(a,"JS.SpaceGroup"))return a.dumpInfo();var c=(new JU.SB).append("\nHermann-Mauguin symbol: ");null==this.hmSymbol||null==this.hmSymbolExt?c.append("?"):c.append(this.hmSymbol).append(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:"");null!=this.intlTableNumber&&c.append("\ninternational table number: ").append(this.intlTableNumber).append(0<this.intlTableNumberExt.length?
":"+this.intlTableNumberExt:"").append("\ncrystal class: "+this.crystalClass).append("\n\n").appendI(this.operationCount).append(" operators").append(null!=this.hallInfo&&!this.hallInfo.hallSymbol.equals("--")?" from Hall symbol "+this.hallInfo.hallSymbol+"  #"+this.intlTableNumberFull:"").append(": ");for(var e=0;e<this.operationCount;e++)c.append("\n").append(this.operations[e].xyz);c.append("\n\n").append(null==this.hallInfo?"Hall symbol unknown":this.hallInfo.dumpInfo());c.append("\n\ncanonical Seitz: ").append(a).append("\n----------------------------------------------------\n");
return c.toString()});d(b,"dumpInfoObj",function(){var a=this.dumpCanonicalSeitzList();if(V(a,"JS.SpaceGroup"))return a.dumpInfoObj();a=new java.util.Hashtable;a.put("HermannMauguinSymbol",null==this.hmSymbol||null==this.hmSymbolExt?"?":this.hmSymbol+(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:""));null!=this.intlTableNumber&&(a.put("ita",Integer.$valueOf(JU.PT.parseInt(this.intlTableNumber))),a.put("itaFull",this.intlTableNumberFull),a.put("crystalClass",this.crystalClass),a.put("operationCount",
Integer.$valueOf(this.operationCount)));for(var c=new JU.Lst,e=0;e<this.operationCount;e++)c.addLast(this.operations[e].xyz);a.put("operationsXYZ",c);a.put("HallSymbol",null==this.hallInfo?"?":this.hallInfo.hallSymbol);return a});d(b,"getName",function(){return this.name});d(b,"getLatticeDesignation",function(){return JS.HallTranslation.getLatticeDesignation(this.latticeParameter)});d(b,"setLatticeParam",function(a){this.latticeParameter=a;10<a&&(this.latticeParameter=-JS.HallTranslation.getLatticeIndex(JS.HallTranslation.getLatticeCode(a)))},
"~N");d(b,"dumpCanonicalSeitzList",function(){null!=this.nHallOperators&&(null==this.hallInfo&&(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.findSpaceGroup(this.operationCount,a);if(null!=c)return c.getCanonicalSeitzList()}return(0<=this.index&&this.index<JS.SpaceGroup.SG.length?this.hallSymbol+" = ":"")+a});d(b,"getDerivedSpaceGroup",function(){if(0<=this.index&&this.index<
JS.SpaceGroup.SG.length||0<this.modDim||null==this.operations||0==this.operations.length||0!=this.operations[0].timeReversal)return this;null!=this.finalOperations&&this.setFinalOperations();var a=this.getCanonicalSeitzList();return null==a?null:JS.SpaceGroup.findSpaceGroup(this.operationCount,a)});d(b,"getCanonicalSeitzList",function(){for(var a=Array(this.operationCount),c=0;c<this.operationCount;c++)a[c]=JS.SymmetryOperation.dumpSeitz(this.operations[c],!0);java.util.Arrays.sort(a,0,this.operationCount);
for(var e=(new JU.SB).append("\n["),c=0;c<this.operationCount;c++)e.append(a[c].$replace("\t"," ").$replace("\n"," ")).append("; ");e.append("]");return e.toString()});b.findSpaceGroup=d(b,"findSpaceGroup",function(a,c){JS.SpaceGroup.getSpaceGroups();var e=JS.SpaceGroup.htByOpCount.get(Integer.$valueOf(a));if(null!=e)for(var b=0,d=e.size();b<d;b++){var f=e.get(b);if(0<=JS.SpaceGroup.getCanonicalSeitz(f.index).indexOf(c))return JS.SpaceGroup.SG[f.index]}return null},"~N,~S");b.dumpAll=d(b,"dumpAll",
function(a){JS.SpaceGroup.getSpaceGroups();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(){JS.SpaceGroup.getSpaceGroups();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.HallTranslation.getLatticeIndex(a);c||(this.latticeParameter=-this.latticeParameter)},"~S,~B");b.createSpaceGroupN=d(b,"createSpaceGroupN",
function(a){JS.SpaceGroup.getSpaceGroups();a=a.trim();var c=JS.SpaceGroup.determineSpaceGroupN(a),e;null==c&&(e=new JS.HallInfo(a),0<e.nRotations?(c=new JS.SpaceGroup(-1,"0;0;--;--;"+a,!0),c.hallInfo=e):0<=a.indexOf(",")&&(c=new JS.SpaceGroup(-1,"0;0;--;--;--",!0),c.doNormalize=!1,c.generateOperatorsFromXyzInfo(a)));null!=c&&c.generateAllOperators(null);return c},"~S");d(b,"addOperation",function(a,c,e){if(null==a||3>a.length)return this.init(!1),-1;a=JU.PT.rep(a," ","");var b="="==a.charAt(0);b&&
(a=a.substring(1));var d=this.checkXYZlist(a);if(0<=d)return d;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,e))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,b)},"~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,e){var b=a.xyz;if(!e){e=this.checkXYZlist(b);if(0<=e)return e;0>this.latticeOp&&(e=JU.PT.replaceAllCharacters(0<this.modDim?JS.SymmetryOperation.replaceXn(b,this.modDim+3):b,"+123/",""),this.xyzList.containsKey(e+"!")?this.latticeOp=this.operationCount:this.xyzList.put(e+
"!",Integer.$valueOf(this.operationCount)));this.xyzList.put(b,Integer.$valueOf(this.operationCount))}b.equals(c)||this.xyzList.put(c,Integer.$valueOf(this.operationCount));null==this.operations&&(this.operations=Array(4));this.operationCount==this.operations.length&&(this.operations=JU.AU.arrayCopyObject(this.operations,2*this.operationCount));this.operations[this.operationCount++]=a;a.number=this.operationCount;0!=a.timeReversal&&(this.operations[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;a=this.hallInfo;this.operations=Array(4);if(null==this.hallInfo||0==this.hallInfo.nRotations)a=this.hallInfo=new JS.HallInfo(this.hallSymbol);this.setLattice(this.hallInfo.latticeCode,
this.hallInfo.isCentrosymmetric);this.init(!0)}switch(a.latticeCode.charCodeAt(0)){case 0:case 83:case 84:case 80:this.latticeType="P";break;default:this.latticeType=a.latticeCode}for(var c=new JU.M4,e=new JU.M4,b=Array(7),d=0;7>d;d++)b[d]=new JU.M4;this.operationCount=1;for(d=0;d<a.nRotations;d++){var f=a.rotationTerms[d];c.setM4(f.seitzMatrix12ths);f=f.order;b[0].setIdentity();for(var g=this.operationCount,j=1;j<=f;j++){var h=b[j];h.mul2(c,b[0]);b[0].setM4(h);for(var m=0;m<g;m++){e.mul2(h,this.operations[m]);
e.m03=(w(e.m03)+12)%12;e.m13=(w(e.m13)+12)%12;e.m23=(w(e.m23)+12)%12;var p=JS.SymmetryOperation.getXYZFromMatrix(e,!0,!0,!1);this.addSymmetrySM("!nohalf!"+p,e)}}}null!=this.nHallOperators&&this.operationCount!=this.nHallOperators.intValue()&&JU.Logger.error("Operator mismatch "+this.operationCount+" for "+this)},"JS.HallInfo");d(b,"addSymmetrySM",function(a,c){var e=this.addOperation(a,0,!1);0<=e&&this.operations[e].setM4(c);return e},"~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,e,b,d,f,g,j){a=JS.SpaceGroup.determineSpaceGroupIndex(a,c,e,b,d,f,g,j);return 0<=a?JS.SpaceGroup.SG[a]:null},"~S,~N,~N,~N,~N,~N,~N,~N");b.isXYZList=d(b,"isXYZList",function(a){return 0<=a.indexOf(",")&&0>a.indexOf("(")},"~S");b.determineSpaceGroupIndex=d(b,"determineSpaceGroupIndex",function(a,c,e,b,d,f,g,j){if(JS.SpaceGroup.isXYZList(a))return-1;JS.SpaceGroup.getSpaceGroups();0>j&&(j=JS.SpaceGroup.SG.length);a=a.trim().toLowerCase();var h=!1;a.startsWith("bilbao:")&&(h=!0,a=a.substring(7));var m=
a.indexOf("hall:");0<m&&(a=a.substring(m));var p=a.startsWith("hall:")?5:a.startsWith("hm:")?3:0;switch(p){case 3:case 5:a=a.substring(p);break;case 0:a.contains("[")&&(p=5,a=a.substring(0,a.indexOf("[")).trim())}var m=a,n,r=!1;a=a.$replace("_"," ");2<=a.length&&(n=0==a.indexOf("-")?2:1,n<a.length&&" "!=a.charAt(n)&&(a=a.substring(0,n)+" "+a.substring(n)),a=JS.SpaceGroup.toCap(a,2));var l="";if(0<(n=a.indexOf(":")))l=a.substring(n+1),a=a.substring(0,n).trim(),r=!0;5!=p&&(!r&&JU.PT.isOneOf(a,JS.SpaceGroup.ambiguousNames))&&
(l="?",r=!0);var t=JU.PT.replaceAllCharacters(a," ()",""),s;if(3!=p&&!r)for(n=j;0<=--n;)if(JS.SpaceGroup.SG[n].hallSymbol.equalsIgnoreCase(a))return n;if(5!=p){if(3!=p)for(n=j;0<=--n;)if(JS.SpaceGroup.SG[n].intlTableNumberFull.equalsIgnoreCase(m))return n;for(n=j;0<=--n;)if(JS.SpaceGroup.SG[n].hmSymbolFull.equalsIgnoreCase(m))return n;for(n=j;0<=--n;)if(null!=(s=JS.SpaceGroup.SG[n]).hmSymbolAlternative&&s.hmSymbolAlternative.equalsIgnoreCase(m))return n;if(r){for(n=j;0<=--n;)if((s=JS.SpaceGroup.SG[n]).hmSymbolAbbr.equalsIgnoreCase(t)&&
s.intlTableNumberExt.equalsIgnoreCase(l))return n;for(n=j;0<=--n;)if((s=JS.SpaceGroup.SG[n]).hmSymbolAbbrShort.equalsIgnoreCase(t)&&s.intlTableNumberExt.equalsIgnoreCase(l))return n}a=JS.SpaceGroup.determineUniqueAxis(c,e,b,d,f,g);if(!r||"?"==l.charAt(0))for(n=0;n<j;n++)if(((s=JS.SpaceGroup.SG[n]).hmSymbolAbbr.equalsIgnoreCase(t)||s.hmSymbolAbbrShort.equalsIgnoreCase(t)||s.intlTableNumber.equals(t))&&(!h||s.isBilbao))switch(s.ambiguityType.charCodeAt(0)){case 0:return n;case 97:if(s.uniqueAxis==a||
"\x00"==a)return n;break;case 111:if(0==l.length){if(s.hmSymbolExt.equals("2"))return n}else if(s.hmSymbolExt.equalsIgnoreCase(l))return n;break;case 116:if(0==l.length){if("h"==s.axisChoice)return n}else if((s.axisChoice+"").equalsIgnoreCase(l))return n}}if(0==l.length)for(n=0;n<j;n++)if((s=JS.SpaceGroup.SG[n]).intlTableNumber.equals(m)&&(!h||s.isBilbao))return n;return-1},"~S,~N,~N,~N,~N,~N,~N,~N");d(b,"setIntlTableNumberFull",function(a){this.intlTableNumberFull=a;a=JU.PT.split(a,":");this.intlTableNumber=
a[0];this.intlTableNumberExt=1==a.length?"":a[1];this.ambiguityType="\x00";0<this.intlTableNumberExt.length&&(a=this.intlTableNumberExt.charAt(0),this.intlTableNumberExt.equals("h")||this.intlTableNumberExt.equals("r")?(this.ambiguityType="t",this.axisChoice=this.intlTableNumberExt.charAt(0)):"1"==a||"2"==a?this.ambiguityType="o":2>=this.intlTableNumberExt.length||3==this.intlTableNumberExt.length&&"-"==a?(this.ambiguityType="a",this.uniqueAxis=this.intlTableNumberExt.charAt("-"==a?1:0)):this.intlTableNumberExt.contains("-")&&
(this.ambiguityType="-"))},"~S");b.determineUniqueAxis=d(b,"determineUniqueAxis",function(a,c,e,b,d,f){return a==c?c==e?"\x00":"c":c==e?"a":e==a?"b":b==d?d==f?"\x00":"c":d==f?"a":f==b?"b":"\x00"},"~N,~N,~N,~N,~N,~N");d(b,"buildSpaceGroup",function(a){a=JU.PT.split(a.toLowerCase(),";");this.intlTableNumberFull=a[0].trim();this.isBilbao=6>a.length&&!this.intlTableNumberFull.equals("0");var c=JU.PT.split(this.intlTableNumberFull,":");this.intlTableNumber=c[0];this.intlTableNumberExt=1==c.length?"":c[1];
this.ambiguityType="\x00";0<this.intlTableNumberExt.length&&(this.intlTableNumberExt.equals("h")||this.intlTableNumberExt.equals("r")?(this.ambiguityType="t",this.axisChoice=this.intlTableNumberExt.charAt(0)):this.intlTableNumberExt.startsWith("1")||this.intlTableNumberExt.startsWith("2")?this.ambiguityType="o":2>=this.intlTableNumberExt.length?(this.ambiguityType="a",this.uniqueAxis=this.intlTableNumberExt.charAt(0)):this.intlTableNumberExt.contains("-")&&(this.ambiguityType="-"));a[1].equals("0")||
(this.nHallOperators=Integer.$valueOf(a[1]),c=JS.SpaceGroup.htByOpCount.get(this.nHallOperators),null==c&&JS.SpaceGroup.htByOpCount.put(this.nHallOperators,c=new JU.Lst),c.addLast(this));this.crystalClass=JS.SpaceGroup.toCap(JU.PT.split(a[2],"^")[0],1);this.setHMSymbol(a[3]);this.hallSymbol=a[4];1<this.hallSymbol.length&&(this.hallSymbol=JS.SpaceGroup.toCap(this.hallSymbol,2));a=this.intlTableNumber+this.hallSymbol;"0"!=this.intlTableNumber.charAt(0)&&JS.SpaceGroup.lastInfo.equals(a)&&(JS.SpaceGroup.ambiguousNames+=
this.hmSymbol+";");JS.SpaceGroup.lastInfo=a;this.name=this.hallSymbol+" ["+this.hmSymbolFull+"] #"+this.intlTableNumber},"~S");d(b,"setHMSymbol",function(a){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];a=this.hmSymbol.indexOf(" -3");1<=a&&0<="admn".indexOf(this.hmSymbol.charAt(a-1))&&(this.hmSymbolAlternative=(this.hmSymbol.substring(0,a)+" 3"+this.hmSymbol.substring(a+
3)).toLowerCase());this.hmSymbolAbbr=JU.PT.rep(this.hmSymbol," ","");this.hmSymbolAbbrShort=JU.PT.rep(this.hmSymbol," 1","");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""+this.intlTableNumberFull+" HM:"+this.hmSymbolFull+" Hall:"+this.hallSymbol});b.getSpaceGroups=d(b,"getSpaceGroups",function(){return null==
JS.SpaceGroup.SG?JS.SpaceGroup.SG=JS.SpaceGroup.createSpaceGroups():JS.SpaceGroup.SG});b.createSpaceGroups=d(b,"createSpaceGroups",function(){var a=JS.SpaceGroup.STR_SG.length;JS.SpaceGroup.nameToGroup=new java.util.Hashtable;for(var c=Array(a),e=0;e<a;e++)c[e]=new JS.SpaceGroup(e,JS.SpaceGroup.STR_SG[e],!0),JS.SpaceGroup.nameToGroup.put(c[e].intlTableNumberFull,c[e]);JS.SpaceGroup.STR_SG=null;return c});d(b,"addLatticeVectors",function(a){if(0<=this.latticeOp||0==a.size())return!1;for(var c=this.latticeOp=
this.operationCount,e=a.get(0).length==this.modDim+4,b=-2,d=0;d<a.size();d++){var f=a.get(d);e&&(b=w(f[this.modDim+3]),f=JU.AU.arrayCopyF(f,this.modDim+3));if(f.length>this.modDim+3)return!1;for(var g=0;g<c;g++){var j=new JS.SymmetryOperation(null,0,!0);j.modDim=this.modDim;var h=this.operations[g];j.divisor=h.divisor;j.linearRotTrans=JU.AU.arrayCopyF(h.linearRotTrans,-1);j.setFromMatrix(f,!1);-2!=b&&j.setTimeReversal(h.timeReversal*b);j.xyzOriginal=j.xyz;this.addOp(j,j.xyz,!0)}}return!0},"JU.Lst");
d(b,"getSiteMultiplicity",function(a,c){for(var e=this.finalOperations.length,b=new JU.Lst,d=e;0<=--d;){var f=JU.P3.newP(a);this.finalOperations[d].rotTrans(f);c.unitize(f);for(var g=b.size();0<=--g;){var j=b.get(g);if(1E-6>f.distanceSquared(j)){f=null;break}}null!=f&&b.addLast(f)}return F(e/b.size())},"JU.P3,JS.UnitCell");d(b,"setName",function(a){this.name=a;null!=a&&a.startsWith("HM:")&&this.setHMSymbol(a.substring(3))},"~S");d(b,"getNameType",function(a,c){var e=null,e=a.equals("HM")?this.hmSymbol:
a.equals("ITA")?this.intlTableNumber:a.equals("Hall")?this.hallSymbol:"?";if(null!=e)return e;null==this.info&&(this.info=JS.SpaceGroup.getInfo(this,this.hmSymbol,c.getUnitCellParams(),!0,!1));if("string"==typeof this.info)return null;e=this.info.get(a.equals("Hall")?"HallSymbol":a.equals("ITA")?"ita":"HermannMauguinSymbol");return null==e?null:e.toString()},"~S,J.api.SymmetryInterface");b.getSpaceGroupFromITAName=d(b,"getSpaceGroupFromITAName",function(a){JS.SpaceGroup.getSpaceGroups();for(var c=
JS.SpaceGroup.SG.length,e=0;e<c;e++)if(a.equals(JS.SpaceGroup.SG[e].intlTableNumberFull))return JS.SpaceGroup.SG[e];for(e=0;e<c;e++)if(a.equals(JS.SpaceGroup.SG[e].intlTableNumber))return JS.SpaceGroup.SG[e];return null},"~S");d(b,"checkHallOperators",function(){null!=this.nHallOperators&&this.nHallOperators.intValue()!=this.operationCount&&this.generateAllOperators(this.hallInfo)});R(b,"canonicalSeitzList",null,"sgIndex",-1,"ambiguousNames","","lastInfo","","SG",null);b.htByOpCount=b.prototype.htByOpCount=
new java.util.Hashtable;R(b,"nameToGroup",null,"STR_SG",Q(-1,'1;1;c1^1;p 1;p 1,2;2;ci^1;p -1;-p 1,3:b;2;c2^1;p 1 2 1;p 2y,3:b;2;c2^1;p 2;p 2y,3:c;2;c2^1;p 1 1 2;p 2,3:a;2;c2^1;p 2 1 1;p 2x,4:b;2;c2^2;p 1 21 1;p 2yb,4:b;2;c2^2;p 21;p 2yb,4:b*;2;c2^2;p 1 21 1*;p 2y1,4:c;2;c2^2;p 1 1 21;p 2c,4:c*;2;c2^2;p 1 1 21*;p 21,4:a;2;c2^2;p 21 1 1;p 2xa,4:a*;2;c2^2;p 21 1 1*;p 2x1,5:b1;4;c2^3;c 1 2 1;c 2y,5:b1;4;c2^3;c 2;c 2y,5:b2;4;c2^3;a 1 2 1;a 2y,5:b3;4;c2^3;i 1 2 1;i 2y,5:c1;4;c2^3;a 1 1 2;a 2,5:c2;4;c2^3;b 1 1 2;b 2,5:c3;4;c2^3;i 1 1 2;i 2,5:a1;4;c2^3;b 2 1 1;b 2x,5:a2;4;c2^3;c 2 1 1;c 2x,5:a3;4;c2^3;i 2 1 1;i 2x,6:b;2;cs^1;p 1 m 1;p -2y,6:b;2;cs^1;p m;p -2y,6:c;2;cs^1;p 1 1 m;p -2,6:a;2;cs^1;p m 1 1;p -2x,7:b1;2;cs^2;p 1 c 1;p -2yc,7:b1;2;cs^2;p c;p -2yc,7:b2;2;cs^2;p 1 n 1;p -2yac,7:b2;2;cs^2;p n;p -2yac,7:b3;2;cs^2;p 1 a 1;p -2ya,7:b3;2;cs^2;p a;p -2ya,7:c1;2;cs^2;p 1 1 a;p -2a,7:c2;2;cs^2;p 1 1 n;p -2ab,7:c3;2;cs^2;p 1 1 b;p -2b,7:a1;2;cs^2;p b 1 1;p -2xb,7:a2;2;cs^2;p n 1 1;p -2xbc,7:a3;2;cs^2;p c 1 1;p -2xc,8:b1;4;cs^3;c 1 m 1;c -2y,8:b1;4;cs^3;c m;c -2y,8:b2;4;cs^3;a 1 m 1;a -2y,8:b3;4;cs^3;i 1 m 1;i -2y,8:b3;4;cs^3;i m;i -2y,8:c1;4;cs^3;a 1 1 m;a -2,8:c2;4;cs^3;b 1 1 m;b -2,8:c3;4;cs^3;i 1 1 m;i -2,8:a1;4;cs^3;b m 1 1;b -2x,8:a2;4;cs^3;c m 1 1;c -2x,8:a3;4;cs^3;i m 1 1;i -2x,9:b1;4;cs^4;c 1 c 1;c -2yc,9:b1;4;cs^4;c c;c -2yc,9:b2;4;cs^4;a 1 n 1;a -2yab,9:b3;4;cs^4;i 1 a 1;i -2ya,9:-b1;4;cs^4;a 1 a 1;a -2ya,9:-b2;4;cs^4;c 1 n 1;c -2yac,9:-b3;4;cs^4;i 1 c 1;i -2yc,9:c1;4;cs^4;a 1 1 a;a -2a,9:c2;4;cs^4;b 1 1 n;b -2ab,9:c3;4;cs^4;i 1 1 b;i -2b,9:-c1;4;cs^4;b 1 1 b;b -2b,9:-c2;4;cs^4;a 1 1 n;a -2ab,9:-c3;4;cs^4;i 1 1 a;i -2a,9:a1;4;cs^4;b b 1 1;b -2xb,9:a2;4;cs^4;c n 1 1;c -2xac,9:a3;4;cs^4;i c 1 1;i -2xc,9:-a1;4;cs^4;c c 1 1;c -2xc,9:-a2;4;cs^4;b n 1 1;b -2xab,9:-a3;4;cs^4;i b 1 1;i -2xb,10:b;4;c2h^1;p 1 2/m 1;-p 2y,10:b;4;c2h^1;p 2/m;-p 2y,10:c;4;c2h^1;p 1 1 2/m;-p 2,10:a;4;c2h^1;p 2/m 1 1;-p 2x,11:b;4;c2h^2;p 1 21/m 1;-p 2yb,11:b;4;c2h^2;p 21/m;-p 2yb,11:b*;4;c2h^2;p 1 21/m 1*;-p 2y1,11:c;4;c2h^2;p 1 1 21/m;-p 2c,11:c*;4;c2h^2;p 1 1 21/m*;-p 21,11:a;4;c2h^2;p 21/m 1 1;-p 2xa,11:a*;4;c2h^2;p 21/m 1 1*;-p 2x1,12:b1;8;c2h^3;c 1 2/m 1;-c 2y,12:b1;8;c2h^3;c 2/m;-c 2y,12:b2;8;c2h^3;a 1 2/m 1;-a 2y,12:b3;8;c2h^3;i 1 2/m 1;-i 2y,12:b3;8;c2h^3;i 2/m;-i 2y,12:c1;8;c2h^3;a 1 1 2/m;-a 2,12:c2;8;c2h^3;b 1 1 2/m;-b 2,12:c3;8;c2h^3;i 1 1 2/m;-i 2,12:a1;8;c2h^3;b 2/m 1 1;-b 2x,12:a2;8;c2h^3;c 2/m 1 1;-c 2x,12:a3;8;c2h^3;i 2/m 1 1;-i 2x,13:b1;4;c2h^4;p 1 2/c 1;-p 2yc,13:b1;4;c2h^4;p 2/c;-p 2yc,13:b2;4;c2h^4;p 1 2/n 1;-p 2yac,13:b2;4;c2h^4;p 2/n;-p 2yac,13:b3;4;c2h^4;p 1 2/a 1;-p 2ya,13:b3;4;c2h^4;p 2/a;-p 2ya,13:c1;4;c2h^4;p 1 1 2/a;-p 2a,13:c2;4;c2h^4;p 1 1 2/n;-p 2ab,13:c3;4;c2h^4;p 1 1 2/b;-p 2b,13:a1;4;c2h^4;p 2/b 1 1;-p 2xb,13:a2;4;c2h^4;p 2/n 1 1;-p 2xbc,13:a3;4;c2h^4;p 2/c 1 1;-p 2xc,14:b1;4;c2h^5;p 1 21/c 1;-p 2ybc,14:b1;4;c2h^5;p 21/c;-p 2ybc,14:b2;4;c2h^5;p 1 21/n 1;-p 2yn,14:b2;4;c2h^5;p 21/n;-p 2yn,14:b3;4;c2h^5;p 1 21/a 1;-p 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-4 m 2;p -4 -2,116;8;d2d^6;p -4 c 2;p -4 -2c,117;8;d2d^7;p -4 b 2;p -4 -2ab,118;8;d2d^8;p -4 n 2;p -4 -2n,119;16;d2d^9;i -4 m 2;i -4 -2,120;16;d2d^10;i -4 c 2;i -4 -2c,121;16;d2d^11;i -4 2 m;i -4 2,122;16;d2d^12;i -4 2 d;i -4 2bw,123;16;d4h^1;p 4/m m m;-p 4 2,124;16;d4h^2;p 4/m c c;-p 4 2c,125:1;16;d4h^3;p 4/n b m:1;p 4 2 -1ab;-b,125:2;16;d4h^3;p 4/n b m:2;-p 4a 2b,126:1;16;d4h^4;p 4/n n c:1;p 4 2 -1n;-b,126:2;16;d4h^4;p 4/n n c:2;-p 4a 2bc,127;16;d4h^5;p 4/m b m;-p 4 2ab,128;16;d4h^6;p 4/m n c;-p 4 2n,129:1;16;d4h^7;p 4/n m m:1;p 4ab 2ab -1ab;-b,129:2;16;d4h^7;p 4/n m m:2;-p 4a 2a,130:1;16;d4h^8;p 4/n c c:1;p 4ab 2n -1ab;-b,130:2;16;d4h^8;p 4/n c c:2;-p 4a 2ac,131;16;d4h^9;p 42/m m c;-p 4c 2,132;16;d4h^10;p 42/m c m;-p 4c 2c,133:1;16;d4h^11;p 42/n b c:1;p 4n 2c -1n;-b,133:2;16;d4h^11;p 42/n b c:2;-p 4ac 2b,134:1;16;d4h^12;p 42/n n m:1;p 4n 2 -1n;-b,134:2;16;d4h^12;p 42/n n m:2;-p 4ac 2bc,135;16;d4h^13;p 42/m b c;-p 4c 2ab,135*;16;d4h^13;p 42/m b c*;-p 42 2ab,136;16;d4h^14;p 42/m n m;-p 4n 2n,137:1;16;d4h^15;p 42/n m c:1;p 4n 2n -1n;-b,137:2;16;d4h^15;p 42/n m c:2;-p 4ac 2a,138:1;16;d4h^16;p 42/n c m:1;p 4n 2ab -1n;-b,138:2;16;d4h^16;p 42/n c m:2;-p 4ac 2ac,139;32;d4h^17;i 4/m m m;-i 4 2,140;32;d4h^18;i 4/m c m;-i 4 2c,141:1;32;d4h^19;i 41/a m d:1;i 4bw 2bw -1bw;-b,141:2;32;d4h^19;i 41/a m d:2;-i 4bd 2,142:1;32;d4h^20;i 41/a c d:1;i 4bw 2aw -1bw;-b,142:2;32;d4h^20;i 41/a c d:2;-i 4bd 2c,143;3;c3^1;p 3;p 3,144;3;c3^2;p 31;p 31,145;3;c3^3;p 32;p 32,146:h;9;c3^4;r 3:h;r 3,146:r;3;c3^4;r 3:r;p 3*,147;6;c3i^1;p -3;-p 3,148:h;18;c3i^2;r -3:h;-r 3,148:r;6;c3i^2;r -3:r;-p 3*,149;6;d3^1;p 3 1 2;p 3 2,150;6;d3^2;p 3 2 1;p 3 2",151;6;d3^3;p 31 1 2;p 31 2 (0 0 4),152;6;d3^4;p 31 2 1;p 31 2",153;6;d3^5;p 32 1 2;p 32 2 (0 0 2),154;6;d3^6;p 32 2 1;p 32 2",154:_2;6;d3^6;p 32 2 1;p 32 2" (0 0 4);-b,155:h;18;d3^7;r 3 2:h;r 3 2",155:r;6;d3^7;r 3 2:r;p 3* 2,156;6;c3v^1;p 3 m 1;p 3 -2",157;6;c3v^2;p 3 1 m;p 3 -2,158;6;c3v^3;p 3 c 1;p 3 -2"c,159;6;c3v^4;p 3 1 c;p 3 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6c -2c,186*;12;c6v^4;p 63 m c*;p 63 -2c,187;12;d3h^1;p -6 m 2;p -6 2,188;12;d3h^2;p -6 c 2;p -6c 2,189;12;d3h^3;p -6 2 m;p -6 -2,190;12;d3h^4;p -6 2 c;p -6c -2c,191;24;d6h^1;p 6/m m m;-p 6 2,192;24;d6h^2;p 6/m c c;-p 6 2c,193;24;d6h^3;p 63/m c m;-p 6c 2,193*;24;d6h^3;p 63/m c m*;-p 63 2,194;24;d6h^4;p 63/m m c;-p 6c 2c,194*;24;d6h^4;p 63/m m c*;-p 63 2c,195;12;t^1;p 2 3;p 2 2 3,196;48;t^2;f 2 3;f 2 2 3,197;24;t^3;i 2 3;i 2 2 3,198;12;t^4;p 21 3;p 2ac 2ab 3,199;24;t^5;i 21 3;i 2b 2c 3,200;24;th^1;p m -3;-p 2 2 3,201:1;24;th^2;p n -3:1;p 2 2 3 -1n;-b,201:2;24;th^2;p n -3:2;-p 2ab 2bc 3,202;96;th^3;f m -3;-f 2 2 3,203:1;96;th^4;f d -3:1;f 2 2 3 -1d;-b,203:2;96;th^4;f d -3:2;-f 2uv 2vw 3,204;48;th^5;i m -3;-i 2 2 3,205;24;th^6;p a -3;-p 2ac 2ab 3,206;48;th^7;i a -3;-i 2b 2c 3,207;24;o^1;p 4 3 2;p 4 2 3,208;24;o^2;p 42 3 2;p 4n 2 3,209;96;o^3;f 4 3 2;f 4 2 3,210;96;o^4;f 41 3 2;f 4d 2 3,211;48;o^5;i 4 3 2;i 4 2 3,212;24;o^6;p 43 3 2;p 4acd 2ab 3,213;24;o^7;p 41 3 2;p 4bd 2ab 3,214;48;o^8;i 41 3 2;i 4bd 2c 3,215;24;td^1;p -4 3 m;p -4 2 3,216;96;td^2;f -4 3 m;f -4 2 3,217;48;td^3;i -4 3 m;i -4 2 3,218;24;td^4;p -4 3 n;p -4n 2 3,219;96;td^5;f -4 3 c;f -4a 2 3,220;48;td^6;i -4 3 d;i -4bd 2c 3,221;48;oh^1;p m -3 m;-p 4 2 3,222:1;48;oh^2;p n -3 n:1;p 4 2 3 -1n;-b,222:2;48;oh^2;p n -3 n:2;-p 4a 2bc 3,223;48;oh^3;p m -3 n;-p 4n 2 3,224:1;48;oh^4;p n -3 m:1;p 4n 2 3 -1n;-b,224:2;48;oh^4;p n -3 m:2;-p 4bc 2bc 3,225;192;oh^5;f m -3 m;-f 4 2 3,226;192;oh^6;f m -3 c;-f 4a 2 3,227:1;192;oh^7;f d -3 m:1;f 4d 2 3 -1d;-b,227:2;192;oh^7;f d -3 m:2;-f 4vw 2vw 3,228:1;192;oh^8;f d -3 c:1;f 4d 2 3 -1ad;-b,228:2;192;oh^8;f d -3 c:2;-f 4ud 2vw 3,229;96;oh^9;i m -3 m;-i 4 2 3,230;96;oh^10;i a -3 d;-i 4bd 2c 3'.split(",")))});
ba("JS");Y(null,"JS.HallInfo",["JU.P3i","$.SB","JS.HallRotationTerm","$.HallTranslation","JU.Logger"],function(){var b=O(function(){this.primitiveHallSymbol=this.hallSymbol=null;this.latticeCode="\x00";this.latticeExtension=null;this.isCentrosymmetric=!1;this.nRotations=0;this.vectorCode=this.vector12ths=this.rotationTerms=null;$(this,arguments)},JS,"HallInfo");ia(b,function(){this.rotationTerms=Array(16)});G(b,function(a){try{a.startsWith("Hall:")&&(a=a.substring(5).trim());var c=this.hallSymbol=
a.trim(),c=this.extractLatticeInfo(c);if(0!=JS.HallTranslation.getLatticeIndex(this.latticeCode)){this.latticeExtension=JS.HallTranslation.getLatticeExtension(this.latticeCode,this.isCentrosymmetric);c=this.extractVectorInfo(c)+this.latticeExtension;JU.Logger.debugging&&JU.Logger.debug("Hallinfo: "+a+" "+c);a=0;var e="\x00";for(this.primitiveHallSymbol="P";0<c.length&&16>this.nRotations;){var c=this.extractRotationInfo(c,a,e),b=this.rotationTerms[this.nRotations-1];a=b.order;e=b.axisType;this.primitiveHallSymbol+=
" "+b.primitiveCode}this.primitiveHallSymbol+=this.vectorCode}}catch(d){if(da(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.HallTranslation.getLatticeDesignation2(this.latticeCode,this.isCentrosymmetric)});d(b,"extractLatticeInfo",function(a){var c=a.indexOf(" ");if(0>c)return"";var e=a.substring(0,c).toUpperCase();this.latticeCode=e.charAt(0);"-"==this.latticeCode&&(this.isCentrosymmetric=!0,this.latticeCode=e.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("("),
e=a.indexOf(")",c);0<c&&e>c&&(e=a.substring(c+1,e),this.vectorCode=" ("+e+")",a=a.substring(0,c).trim(),c=e.indexOf(" "),0<=c&&(this.vector12ths.x=Integer.parseInt(e.substring(0,c)),e=e.substring(c+1).trim(),c=e.indexOf(" "),0<=c&&(this.vector12ths.y=Integer.parseInt(e.substring(0,c)),e=e.substring(c+1).trim())),this.vector12ths.z=Integer.parseInt(e));return a},"~S");d(b,"extractRotationInfo",function(a,c,e){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.HallRotationTerm(this,d,c,e);this.nRotations++;return a},"~S,~N,~S");l(b,"toString",function(){return this.hallSymbol})});ba("JS");Y(["JU.M4"],"JS.HallRotationTerm",["JU.SB","JS.HallRotation","$.HallTranslation","$.SymmetryOperation","JU.Logger"],function(){var b=O(function(){this.seitzMatrix12ths=this.translation=this.rotation=this.translationString=this.lookupCode=this.primitiveCode=this.inputCode=null;this.isImproper=!1;this.order=0;this.diagonalReferenceAxis=this.axisType="\x00";this.allPositive=
!0;$(this,arguments)},JS,"HallRotationTerm");ia(b,function(){this.seitzMatrix12ths=new JU.M4});G(b,function(a,c,e,b){this.inputCode=c;c+="   ";"-"==c.charAt(0)&&(this.isImproper=!0,c=c.substring(1));this.primitiveCode="";this.order=c.charCodeAt(0)-48;this.axisType=this.diagonalReferenceAxis="\x00";var d=2,f;switch((f=c.charAt(1)).charCodeAt(0)){case 120:case 121:case 122:switch(c.charAt(2).charCodeAt(0)){case 39:case 34:this.diagonalReferenceAxis=f,f=c.charAt(2),d++}case 42:this.axisType=f;break;
case 39:case 34:this.axisType=f;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==e||4==e?"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.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.HallTranslation("\x00",null);this.translationString="";for(e=c.length;d<e;d++)b=c.charAt(d),b=JS.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),e=JU.M4.newM4(null),a=a.vector12ths,d.m03=a.x,d.m13=a.y,d.m23=a.z,e.m03=-a.x,e.m13=-a.y,e.m23=-a.z,this.seitzMatrix12ths.mul2(d,this.seitzMatrix12ths),this.seitzMatrix12ths.mul(e));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")});ba("JS");Y(["JU.M4"],"JS.HallRotation",null,function(){var b=O(function(){this.seitzMatrixInv=this.seitzMatrix=this.rotCode=null;$(this,
arguments)},JS,"HallRotation");ia(b,function(){this.seitzMatrix=new JU.M4;this.seitzMatrixInv=new JU.M4});G(b,function(a,c){this.rotCode=a;var e=C(16,0),b=C(16,0);e[15]=b[15]=1;for(var d=0,f=0;11>f;d++){var g=0;switch(c.charAt(d).charCodeAt(0)){case 32:f++;continue;case 43:case 49:g=1;break;case 45:g=-1}e[f]=g;b[f]=-g;f++}this.seitzMatrix.setA(e);this.seitzMatrixInv.setA(b)},"~S,~S");b.lookup=d(b,"lookup",function(a){for(var c=JS.HallRotation.getHallTerms().length;0<=--c;)if(JS.HallRotation.hallRotationTerms[c].rotCode.equals(a))return JS.HallRotation.hallRotationTerms[c];
return null},"~S");b.getHallTerms=d(b,"getHallTerms",function(){return null==JS.HallRotation.hallRotationTerms?JS.HallRotation.hallRotationTerms=Q(-1,[new JS.HallRotation("1_","+00 0+0 00+"),new JS.HallRotation("2x","+00 0-0 00-"),new JS.HallRotation("2y","-00 0+0 00-"),new JS.HallRotation("2z","-00 0-0 00+"),new JS.HallRotation("2'","0-0 -00 00-"),new JS.HallRotation('2"',"0+0 +00 00-"),new JS.HallRotation("2x'","-00 00- 0-0"),new JS.HallRotation('2x"',"-00 00+ 0+0"),new JS.HallRotation("2y'","00- 0-0 -00"),
new JS.HallRotation('2y"',"00+ 0-0 +00"),new JS.HallRotation("2z'","0-0 -00 00-"),new JS.HallRotation('2z"',"0+0 +00 00-"),new JS.HallRotation("3x","+00 00- 0+-"),new JS.HallRotation("3y","-0+ 0+0 -00"),new JS.HallRotation("3z","0-0 +-0 00+"),new JS.HallRotation("3*","00+ +00 0+0"),new JS.HallRotation("4x","+00 00- 0+0"),new JS.HallRotation("4y","00+ 0+0 -00"),new JS.HallRotation("4z","0-0 +00 00+"),new JS.HallRotation("6x","+00 0+- 0+0"),new JS.HallRotation("6y","00+ 0+0 -0+"),new JS.HallRotation("6z",
"+-0 +00 00+")]):JS.HallRotation.hallRotationTerms});R(b,"hallRotationTerms",null)});ba("JS");Y(null,"JS.HallTranslation",["JU.P3i"],function(){var b=O(function(){this.translationCode="\x00";this.rotationShift12ths=this.rotationOrder=0;this.vectorShift12ths=null;$(this,arguments)},JS,"HallTranslation");G(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.getHallLatticeEquivalent=
d(b,"getHallLatticeEquivalent",function(a){var c=JS.HallTranslation.getLatticeCode(a);return(0<a?"-":"")+c+" 1"},"~N");b.getLatticeIndex=d(b,"getLatticeIndex",function(a){for(var c=1,e=3;c<=JS.HallTranslation.nLatticeTypes;c++,e+=3)if(JS.HallTranslation.latticeTranslationData[e].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.HallTranslation.nLatticeTypes?JS.HallTranslation.getLatticeCode(JS.HallTranslation.getLatticeIndex(String.fromCharCode(a))):
JS.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.HallTranslation.nLatticeTypes?"":(c?"-":"")+JS.HallTranslation.getLatticeCode(a)+": "+(c?"centrosymmetric ":"")+JS.HallTranslation.latticeTranslationData[3*a+1]},"~N");b.getLatticeDesignation2=d(b,"getLatticeDesignation2",function(a,c){var e=JS.HallTranslation.getLatticeIndex(a);c||(e=-e);return JS.HallTranslation.getLatticeDesignation(e)},
"~S,~B");b.getLatticeExtension=d(b,"getLatticeExtension",function(a,c){for(var e=1,b=3;e<=JS.HallTranslation.nLatticeTypes;e++,b+=3)if(JS.HallTranslation.latticeTranslationData[b].charAt(0)==a)return JS.HallTranslation.latticeTranslationData[b+2]+(c?" -1":"");return""},"~S,~B");b.getHallTerms=d(b,"getHallTerms",function(){return null==JS.HallTranslation.hallTranslationTerms?JS.HallTranslation.hallTranslationTerms=Q(-1,[new JS.HallTranslation("a",JU.P3i.new3(6,0,0)),new JS.HallTranslation("b",JU.P3i.new3(0,
6,0)),new JS.HallTranslation("c",JU.P3i.new3(0,0,6)),new JS.HallTranslation("n",JU.P3i.new3(6,6,6)),new JS.HallTranslation("u",JU.P3i.new3(3,0,0)),new JS.HallTranslation("v",JU.P3i.new3(0,3,0)),new JS.HallTranslation("w",JU.P3i.new3(0,0,3)),new JS.HallTranslation("d",JU.P3i.new3(3,3,3)),new JS.HallTranslation("1",JU.P3i.new3(2,6,-1)),new JS.HallTranslation("1",JU.P3i.new3(3,4,-1)),new JS.HallTranslation("2",JU.P3i.new3(3,8,-1)),new JS.HallTranslation("1",JU.P3i.new3(4,3,-1)),new JS.HallTranslation("3",
JU.P3i.new3(4,9,-1)),new JS.HallTranslation("1",JU.P3i.new3(6,2,-1)),new JS.HallTranslation("2",JU.P3i.new3(6,4,-1)),new JS.HallTranslation("4",JU.P3i.new3(6,8,-1)),new JS.HallTranslation("5",JU.P3i.new3(6,10,-1)),new JS.HallTranslation("r",JU.P3i.new3(4,8,8)),new JS.HallTranslation("s",JU.P3i.new3(8,8,4)),new JS.HallTranslation("t",JU.P3i.new3(8,4,8))]):JS.HallTranslation.hallTranslationTerms});b.getHallTranslation=d(b,"getHallTranslation",function(a,c){for(var e=null,b=JS.HallTranslation.getHallTerms().length;0<=
--b;){var d=JS.HallTranslation.hallTranslationTerms[b];if(d.translationCode==a&&(0==d.rotationOrder||d.rotationOrder==c)){e=new JS.HallTranslation(a,null);e.translationCode=a;e.rotationShift12ths=d.rotationShift12ths;e.vectorShift12ths=d.vectorShift12ths;break}}return e},"~S,~N");R(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=b.prototype.nLatticeTypes=F(JS.HallTranslation.latticeTranslationData.length/3)-1;R(b,"hallTranslationTerms",null)});ba("JS");Y(["JU.M4","$.P3"],"JS.SymmetryOperation","java.lang.Boolean $.Character $.Float java.util.HashSet $.Hashtable JU.Lst $.Matrix $.Measure $.P4 $.PT $.SB $.V3 JS.Symmetry JU.BoxInfo $.Logger $.Parser".split(" "),function(){var b=O(function(){this.xyz=this.xyzCanonical=this.xyzOriginal=null;this.doNormalize=!0;this.isFinalized=!1;this.opId=0;this.info=this.centering=
null;this.opType=-1;this.opOrder=0;this.opIsCCW=this.opPlane=this.opAxis=this.opPoint2=this.opPoint=this.opTrans=null;this.isCoincident=this.isIrrelevant=!1;this.myLabels=null;this.modDim=0;this.rsvs=this.linearRotTrans=null;this.isBio=!1;this.sigma=null;this.number=0;this.subsystemCode=null;this.timeReversal=0;this.isCenteringOp=this.unCentered=!1;this.magOp=2147483647;this.divisor=12;this.opAxisCode=this.opX=null;this.opIsLong=!1;$(this,arguments)},JS,"SymmetryOperation",JU.M4);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"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){var c=0>a;c&&(a=-a);var e=0;1<=a&&(e=w(a),a-=e);a=Math.round(48*a);var b;b=0==a%48?1:0==a%24?2:0==a%16?3:0==a%12?4:0==a%8?6:0==a%6?8:0==a%4?12:0==a%3?16:0==a%2?24:48;return(c?"-":"")+(e*b+F(a*b/48))+(1==b?"":"/"+b)},"~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");G(b,function(a,c,e){qa(this,JS.SymmetryOperation,[]);this.doNormalize=e;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,"setGamma",function(a){for(var c=3+this.modDim,e=(this.rsvs=new JU.Matrix(null,c+1,c+1)).getArray(),b=pa(c,0),d=0,f=0;f<c;f++){for(var g=0;g<c;g++)e[f][g]=this.linearRotTrans[d++];b[f]=(a?-1:1)*this.linearRotTrans[d++]}e[c][c]=1;a&&(this.rsvs=this.rsvs.inverse());for(f=0;f<c;f++)e[f][c]=b[f];e=this.rsvs.getSubmatrix(0,0,3,3).getArray();for(f=0;3>f;f++)for(g=0;4>g;g++)this.setElement(f,g,3>g?e[f][g]:
b[f]);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 e=w(a);return 1*(e>>8)/(e&255)}return a/c},"~N,~N");b.finalizeD=d(b,"finalizeD",function(a,c){if(0==c){if(0==a)return 0;var e=F(a);return 1*(e>>8)/(e&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 e=new JU.SB,b=C(4,0),d=0;3>d;d++){a.getRow(d,b);e.append("[\t");for(var f=0;3>f;f++)e.appendI(w(b[f])).append("\t");f=b[3];f!=w(f)&&(f*=12);e.append(JS.SymmetryOperation.twelfthsOf(c?JS.SymmetryOperation.normalizeTwelfths(f/12,12,!0):w(f))).append("\t]\n")}return e.toString()},"JU.M4,~B");d(b,"setMatrixFromXYZ",function(a,c,e){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=la(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,e=!0):0<=a.indexOf("mz)")&&(e=a.indexOf("("),c=a.substring(e+1,a.length-1),a=a.substring(0,e),e=!1);d=JS.SymmetryOperation.getMatrixFromString(this,
a,this.linearRotTrans,e,d);if(null==d)return!1;this.xyzCanonical=d;null!=c&&(e=1==JU.M4.newA16(this.linearRotTrans).determinant3(),this.timeReversal=0>a.indexOf("-x")==0>c.indexOf("-mx")==e?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("/"),b=
a.length;0<c&&c<b-1;){var d=a.charAt(c+1);if(0>"2346".indexOf(d)||c<b-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=C((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 b=0,d=0;this.myLabels=0==this.modDim?JS.SymmetryOperation.labelsXYZ:JS.SymmetryOperation.labelsXn;for(var q=0,f=3+this.modDim,g=0;q<f;g++){if(Float.isNaN(this.linearRotTrans[g]))return!1;b=this.linearRotTrans[g];1E-5>Math.abs(b)&&(b=0);if(0==(g+1)%(f+1)){var j=0==this.divisor?w(b)&255:this.divisor;0==j&&(j=12);b=JS.SymmetryOperation.finalizeF(b,this.divisor);null!=a&&d<a.length&&(b+=a[d++]);b=JS.SymmetryOperation.normalizeTwelfths((0>b?-1:1)*Math.abs(b*
j)/j,j,this.doNormalize);0==this.divisor&&(b=JS.SymmetryOperation.toDivisor(b,j));q++}this.linearRotTrans[g]=b}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){var b=C(16,0);a=JS.SymmetryOperation.getMatrixFromString(null,a,b,!1,c);if(null==a)return null;var d=new JU.M4;d.setA(b);return JS.SymmetryOperation.div12(d,
JS.SymmetryOperation.setDivisor(a))},"~S,~B");b.getJmolCanonicalXYZ=d(b,"getJmolCanonicalXYZ",function(a){try{return JS.SymmetryOperation.getMatrixFromString(null,a,null,!1,!0)}catch(c){if(da(c,Exception))return null;throw c;}},"~S");b.getMatrixFromString=d(b,"getMatrixFromString",function(a,c,b,d,q){var f=!1,g=!1,j=!1;c=JU.PT.rep(c,"[bio[","");var h=null==a?0:a.modDim,m=4+h,p=null==a?JS.SymmetryOperation.setDivisor(c):a.divisor,n=q&&(null==a?!c.startsWith("!"):a.doNormalize),r=0<h?3:0;null!=b&&(b[b.length-
1]=1);var l=c.indexOf(";")+1;0!=l&&(d=!0,l==c.length&&(c+="0,0,0"));var t=-1;a=null==a||0==h?null:a.myLabels;null==a&&(a=JS.SymmetryOperation.labelsXYZ);c=c.toLowerCase()+",";c=c.$replace("(",",");0<h&&(c=JS.SymmetryOperation.replaceXn(c,h+3));for(var s=0,C=0,z=0,u,A=0,F=0,S=0,E=1,D="",T="",K=L(1,0),x=c.length,H=0;H<x;H++){switch((u=c.charAt(H)).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:F=0;f=!0;continue;case 120:case 121:case 122:case 97:case 98:case 99:case 100:case 101:case 102:case 103:case 104:C=
z*m;f="x"<=u?u.charCodeAt(0)-120:u.charCodeAt(0)-97+r;s=C+f;j=j?-1:1;d&&0!=A?(null!=b&&(b[s]=A),j=w(A),A=0):null!=b&&(b[s]=j);D+=JS.SymmetryOperation.plusMinus(D,j,a[f],!1);break;case 44:if(0!=l){if(0<l){t=H;H=l-1;l=-H;F=A=0;continue}l=H+1;H=t}A=JS.SymmetryOperation.normalizeTwelfths(A,0==F?12:0==p?F:p,n);null!=b&&(b[C+m-1]=0==p&&0<F?A=JS.SymmetryOperation.toDivisor(S,F):A);D+=JS.SymmetryOperation.xyzFraction12(A,0==p?F:p,!1,q);T+=(""===T?"":",")+D;if(z==m-2)return T;F=S=A=0;D="";if(2<z++&&0==h)return JU.Logger.warn("Symmetry Operation? "+
c),null;break;case 46:g=!0;E=1;continue;case 48:if(!g&&12==p&&(f||!d))continue;default:var I=u.charCodeAt(0)-48;if(0<=I&&9>=I){if(g){E/=10;0>A&&(j=!0);A+=E*I*(j?-1:1);continue}if(f){K[0]=H;F=JU.PT.parseIntNext(c,K);if(0>F)return null;H=K[0]-1;0==A?null!=b&&(b[s]/=F):(S=w(A),A/=F)}else A=10*A+(j?-1:1)*I}else JU.Logger.warn("symmetry character?"+u)}g=f=j=!1}return null},"JS.SymmetryOperation,~S,~A,~B,~B");b.replaceXn=d(b,"replaceXn",function(a,c){for(var b=c;0<=--b;)a=JU.PT.rep(a,JS.SymmetryOperation.labelsXn[b],
JS.SymmetryOperation.labelsXnSub[b]);return a},"~S,~N");b.toDivisor=d(b,"toDivisor",function(a,c){var b=w(a);b!=a&&(b=a-b,c=w(Math.abs(c/b)),b=w(Math.abs(a)/b));return(b<<8)+c},"~N,~N");b.xyzFraction12=d(b,"xyzFraction12",function(a,c,b,d){if(0==a)return"";12!=c&&(a=w(a),c=a&255,a>>=8);var q=F(c/2);if(b)for(;0>a;)a+=c;else if(d){for(;a>q;)a-=c;for(;a<-q;)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 b=12,d=Math.round(a);if(0.01<Math.abs(d-a)){a/=12;for(b=3;20>b;b++){var q=a*b,d=Math.round(q);if(0.01>Math.abs(d-q))break}if(20==b)return c+a}else{if(12==d)return c+"1";if(12>d)return c+JS.SymmetryOperation.twelfths[d%12];switch(d%12){case 0:return c+F(d/12);case 2:case 10:b=6;break;case 3:case 9:b=4;break;case 4:case 8:b=3;break;case 6:b=2}d=F(d*b/12)}return c+d+"/"+b},"~N");b.plusMinus=d(b,"plusMinus",function(a,c,b,d){var q;return(0==c?"":(0>c?"-":0==
a.length?"":"+")+(1==c||-1==c?"":1>(q=Math.abs(c))&&d?JS.SymmetryOperation.twelfthsOf(12*q):""+w(q)))+b},"~S,~N,~S,~B");b.normalizeTwelfths=d(b,"normalizeTwelfths",function(a,c,b){a*=c;var d=F(c/2);if(b){for(;a>d;)a-=c;for(;a<=-d;)a+=c}return a},"~N,~N,~B");b.getXYZFromMatrix=d(b,"getXYZFromMatrix",function(a,c,b,d){return JS.SymmetryOperation.getXYZFromMatrixFrac(a,c,b,d,!1)},"JU.M4,~B,~B,~B");b.getXYZFromMatrixFrac=d(b,"getXYZFromMatrixFrac",function(a,c,b,d,q){var f="",g=V(a,"JS.SymmetryOperation")?
a:null;if(null!=g&&0<g.modDim)return JS.SymmetryOperation.getXYZFromRsVs(g.rsvs.getRotation(),g.rsvs.getTranslation(),c);var g=C(4,0),j=w(a.getElement(3,3));1==j?j=12:a.setElement(3,3,1);for(var h=0;3>h;h++){var m=3>h?0:3;a.getRow(h,g);for(var p="",n=0;3>n;n++){var r=g[n];0!=JS.SymmetryOperation.approx(r)&&(p+=JS.SymmetryOperation.plusMinus(p,r,JS.SymmetryOperation.labelsXYZ[n+m],q))}if(0!=(c?g[3]:JS.SymmetryOperation.approx(g[3])))p+=JS.SymmetryOperation.xyzFraction12(c?g[3]:g[3]*j,j,b,d);f+=","+
p}return f.substring(1)},"JU.M4,~B,~B,~B,~B");d(b,"rotateAxes",function(a,c,b,d){var q=Array(3);this.getRotationScale(d);for(var f=a.length;0<=--f;)b.setT(a[f]),c.toFractional(b,!0),d.rotate(b),c.toCartesian(b,!0),q[f]=JU.V3.newV(b);return q},"~A,JS.UnitCell,JU.P3,JU.M3");d(b,"fcoord2",function(a){return 12==this.divisor?JS.SymmetryOperation.fcoord(a):this.fc2(w(this.linearRotTrans[3]))+" "+this.fc2(w(this.linearRotTrans[7]))+" "+this.fc2(w(this.linearRotTrans[11]))},"JU.T3");d(b,"fc2",function(a){var c=
a&255;a>>=8;return 0==a?"0":a+"/"+c},"~N");b.fcoord=d(b,"fcoord",function(a){return JS.SymmetryOperation.fc(a.x)+" "+JS.SymmetryOperation.fc(a.y)+" "+JS.SymmetryOperation.fc(a.z)},"JU.T3");b.fc=d(b,"fc",function(a){var c=Math.abs(a);a=0>a?"-":"";c=w(JS.SymmetryOperation.approx(24*c));return c/24==w(c/24)?a+F(c/24):0!=c%8?a+JS.SymmetryOperation.twelfthsOf(c>>1):0==c?"0":24==c?a+"1":a+F(c/8)+"/3"},"~N");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 d=a.length,q="",f=0;f<d;f++){for(var q=q+",",g=0;g<d;g++){var j=a[f][g];0!=j&&(q+=(0>j?"-":q.endsWith(",")?"":"+")+(1==Math.abs(j)?"":""+F(Math.abs(j)))+"x"+(g+1))}q+=JS.SymmetryOperation.xyzFraction12(F(c[f][0]*(b?1:12)),12,!1,!0)}return JU.PT.rep(q.substring(1),",+",",")},"JU.Matrix,JU.Matrix,~B");d(b,"toString",function(){return null==this.rsvs?la(this,JS.SymmetryOperation,"toString",[]):la(this,
JS.SymmetryOperation,"toString",[])+" "+this.rsvs.toString()});d(b,"getMagneticOp",function(){return 2147483647==this.magOp?this.magOp=w(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 d=c.indexOf("m"),d=d-F((3-this.timeReversal)/2);c=0>d?c:c.substring(0,d);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,d,q){if(!(0>=q)){var f=0,g=0,j=0;null==JS.SymmetryOperation.atomTest&&(JS.SymmetryOperation.atomTest=new JU.P3);for(var h=d+q;d<h;d++)JS.Symmetry.newPoint(c,b[d],0,0,0,JS.SymmetryOperation.atomTest),f+=JS.SymmetryOperation.atomTest.x,g+=JS.SymmetryOperation.atomTest.y,j+=JS.SymmetryOperation.atomTest.z;f/=q;g/=q;for(j/=q;-0.001>f||1.001<=f;)c.m03+=0>f?1:-1,f+=0>f?1:-1;if(1<a)for(;-0.001>g||1.001<=g;)c.m13+=0>g?1:-1,g+=0>g?1:-1;if(2<a)for(;-0.001>j||1.001<=j;)c.m23+=0>j?1:-1,j+=0>j?
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 d=null==a[b]?null:a[b].getCentering();null!=d&&c.addLast(JU.P3.newP(d))}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 this.opTrans});b.opGet3code=d(b,"opGet3code",function(a){for(var c=0,b=C(4,0),d=0;3>d;d++){a.getRow(d,b);for(var q=0;3>q;q++)switch(w(b[q])){case 1:c|=q+1<<(2-d<<3);break;case -1:c|=16+q+1<<(2-d<<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,d=0,q=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,d=F(180*Math.acos((c-1)/2)/3.141592653589793),120==d&&(null==this.opX&&(this.opX=JS.SymmetryOperation.opGet3x(this)),q=this.opX)):2==b?this.opType=8:(this.opType=6,3==b&&(b=6),d=F(180*Math.acos((-c-1)/
2)/3.141592653589793),120==d&&(null==this.opX&&(this.opX=JS.SymmetryOperation.opGet3x(this)),q=this.opX))}this.opOrder=b;var f=new JU.M4,a=new JU.P3,c=JU.P3.newP(q);f.setM4(this);for(var g=new JU.P3,j=JU.P3.newP(c),h=new JU.P3,m=JU.P3.newP(c),p=new JU.P3,n=1;n<b;n++)f.mul(this),this.rotTrans(a),this.rotTrans(c),1==n&&p.setT(c),g.add(a),j.add(c),6==this.opType&&(0==n%2?m.add(c):h.add(c));this.opTrans=new JU.V3;f.getTranslation(this.opTrans);this.opTrans.scale(1/b);f=JS.SymmetryOperation.approx6(this.opTrans.length());
n=1;this.opPoint=new JU.P3;var r=null,l=!0;switch(this.opType){case 4:j.add2(c,q);j.scale(0.5);this.opPoint=JU.P3.newP(JS.SymmetryOperation.opClean6(j));l=JS.SymmetryOperation.checkOpPoint(this.opPoint);break;case 6:h.scale(2/b);m.scale(2/b);r=JU.V3.newVsub(h,m);r.normalize();this.opAxis=JS.SymmetryOperation.opClean6(r);g.add2(h,m);j.scale(1/b);this.opPoint.setT(JS.SymmetryOperation.opClean6(j));l=JS.SymmetryOperation.checkOpPoint(this.opPoint);180!=d&&(c.cross(q,c),this.opIsCCW=Boolean.$valueOf(0>
c.dot(r)));break;case 2:r=JU.V3.newVsub(j,g);r.normalize();this.opAxis=JS.SymmetryOperation.opClean6(r);g.scale(1/b);a.setT(g);0<f&&g.sub(this.opTrans);this.opPoint.setT(JS.SymmetryOperation.opClean6(g));180!=d&&(c.cross(q,c),this.opIsCCW=Boolean.$valueOf(0>c.dot(r)));if(l=(new Boolean(l&JS.SymmetryOperation.checkOpAxis(a,0==f?this.opAxis:this.opTrans,g,new JU.V3,new JU.V3,null))).valueOf())this.opPoint.setT(g),JS.SymmetryOperation.checkOpAxis(this.opPoint,this.opAxis,g,new JU.V3,new JU.V3,this.opPoint)&&
(this.opPoint2=JU.P3.newP(g)),0<f&&(g.scaleAdd2(0.5,this.opTrans,this.opPoint),l=JS.SymmetryOperation.checkOpPoint(g),null!=this.opPoint2&&(g.scaleAdd2(0.5,this.opTrans,this.opPoint2),JS.SymmetryOperation.checkOpPoint(g)||(this.opPoint2=null)));0>r.dot(a)&&(l=!1);0<f&&0==this.opTrans.z&&1.25==this.opTrans.lengthSquared()?(n=1.25,this.opIsLong=!0):n=1;break;case 8:a.sub(this.opTrans),a.scale(0.5),this.opPoint.setT(a),p.sub(this.opTrans),this.opAxis=JU.V3.newVsub(p,q),c.scaleAdd2(0.5,this.opAxis,q),
this.opAxis.normalize(),this.opPlane=new JU.P4,a.set(q.x+1.1,q.y+1.7,q.z+2.1),a.scale(0.5),this.rotTrans(a),a.sub(this.opTrans),a.scaleAdd2(0.5,q,a),a.scale(0.5),r=new JU.V3,l=JS.SymmetryOperation.checkOpPlane(this.opPoint,a,c,this.opAxis,this.opPlane,r,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),0<f&&(0==this.opTrans.z&&1.25==
this.opTrans.lengthSquared()||0.5==this.opTrans.z&&1.5==this.opTrans.lengthSquared())?(n=1.25,this.opIsLong=!0):n=0.78}if(0<f){JS.SymmetryOperation.opClean6(this.opTrans);if(8==this.opType&&(1==this.opTrans.x||1==this.opTrans.y||1==this.opTrans.z)&&-1==this.m22)l=!1;this.opType|=1;if(Math.abs(JS.SymmetryOperation.approx(this.opTrans.x))>=n||Math.abs(JS.SymmetryOperation.approx(this.opTrans.y))>=n||Math.abs(JS.SymmetryOperation.approx(this.opTrans.z))>=n)l=!1}else this.opTrans=null;l||(this.isIrrelevant=
!0)});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,d,q,f){null==JS.SymmetryOperation.opPlanes&&(JS.SymmetryOperation.opPlanes=JU.BoxInfo.getBoxFacesFromOABC(null));for(var g=JU.BoxInfo.faceOrder,j=null==
f?1:-1,h=0;6>h;h++){var m=JU.Measure.getIntersection(a,c,JS.SymmetryOperation.opPlanes[g[h]],b,d,q);if(null!=m&&JS.SymmetryOperation.checkOpPoint(m)&&0>c.dot(d)*j&&(null==f||0<=JS.SymmetryOperation.approx(f.distance(m)-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,d,q,f,g){JU.Measure.getPlaneThroughPoints(a,c,b,f,g,q);c=JU.BoxInfo.unitCubePoints;d=b=0;for(g=8;0<=--g;){var j=JU.Measure.getPlaneProjection(c[g],q,a,f);switch(w(Math.signum(JS.SymmetryOperation.approx6(j)))){case 1:if(0<
d)return!0;b++;break;case -1:if(0<b)return!0;d++}}return!(8==d||8==b)},"JU.P3,JU.P3,JU.P3,JU.V3,JU.P4,JU.V3,JU.V3");b.getAdditionalOperations=d(b,"getAdditionalOperations",function(a){for(var c=a.length,b=new JU.Lst,d=new java.util.HashSet,q=new java.util.Hashtable,f=0;f<c;f++){var g=a[f];b.addLast(g);var j=g.getOpName(1);d.add(j+";");0!=(g.getOpType()&8)&&JS.SymmetryOperation.addPlaneMap(q,g)}for(f=1;f<c;f++)a[f].addOps(d,b,q,c,f);return b.toArray(Array(b.size()))},"~A");d(b,"addOps",function(a,
c,b,d,q){var f=new JU.V3;this.getTranslation(f);for(var g=8==(this.getOpType()&8),j=new JU.V3,h=null,m=3;-2<=--m;)for(var p=3;-2<=--p;)for(var n=3;-2<=--n;)null==h&&(h=new JS.SymmetryOperation(null,0,!1)),j.set(m,p,n),!this.checkOpSimilar(j)&&h.opCheckAdd(this,f,d,j,a,c,q+1)&&(g&&JS.SymmetryOperation.addPlaneMap(b,h),h=null)},"java.util.HashSet,JU.Lst,java.util.Map,~N,~N");b.addPlaneMap=d(b,"addPlaneMap",function(a,c){var b=c.getOpName(0),d=a.get(b);c.isCoincident=!1;var q=8==c.opType;if(null==d)a.put(b,
d=new JU.Lst);else if(b=d.get(0),b.isCoincident)c.isCoincident=!0;else if(q||8==b.opType){c.isCoincident=!0;for(q=d.size();0<=--q;)d.get(q).isCoincident=!0}d.addLast(c)},"java.util.Map,JS.SymmetryOperation");d(b,"checkOpSimilar",function(a){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 0==JS.SymmetryOperation.approx6(a.dot(this.opAxis))}},"JU.V3");d(b,"opCheckAdd",function(a,c,b,d,q,f,g){this.setM4(a);
b=JU.V3.newV(d);b.add(c);this.setTranslation(b);this.isFinalized=!0;11==g&&(1==d.x&&0==d.y&&0==d.z)&&System.out.println("SO test"+a);this.setOpTypeAndOrder();return!this.isIrrelevant&&(0!=this.opType&&1!=this.opType)&&(a=this.getOpName(1)+";",!q.contains(a))?(q.add(a),f.addLast(this),this.isFinalized=!0,this.xyz=JS.SymmetryOperation.getXYZFromMatrix(this,!1,!1,!1),!0):!1},"JS.SymmetryOperation,JU.V3,~N,JU.V3,java.util.HashSet,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 d=this.opTrans.length();if(null!=this.opIsCCW&&d<(1<d?6:0.5)==(this.opIsCCW===Boolean.TRUE))a="w";break;case 82:JS.SymmetryOperation.isCoaxial(this.opAxis)||(a="o"),0==this.opPoint.length()&&(a="o"==a?"q":"Q")}return this.opAxisCode=""+a+"."+String.fromCharCode(48+c)+"."+b+"."});b.getGlideFromTrans=d(b,"getGlideFromTrans",function(a,c){var b=Math.abs(JS.SymmetryOperation.approx(12*a.x)),d=Math.abs(JS.SymmetryOperation.approx(12*
a.y)),q=Math.abs(JS.SymmetryOperation.approx(12*a.z));9==b&&(b=3);9==d&&(d=3);9==q&&(q=3);return 0!=b&&0!=d&&0!=q?3==b&&3==d&&3==q?"d":6==b&&6==d&&6==q?"n":"g":0!=b&&0!=d||0!=d&&0!=q||0!=q&&0!=b?3==b&&3==d||3==b&&3==q||3==d&&3==q?"d":6==b&&6==d||6==b&&6==q||6==d&&6==q?0==b&&0==c.x||0==d&&0==c.y||0==q&&0==c.z?"g":"n":"g":0!=b?"a":0!=d?"b":"c"},"JU.T3,JU.T3");R(b,"atomTest",null,"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=b.prototype.labelsXYZ=Q(-1,
["x","y","z"]);b.labelsXn=b.prototype.labelsXn=Q(-1,"x1 x2 x3 x4 x5 x6 x7 x8 x9 x10 x11 x12 x13".split(" "));b.labelsXnSub=b.prototype.labelsXnSub=Q(-1,"xyzabcdefghij".split(""));b.x=b.prototype.x=JU.P3.new3(3.141592653589793,2.718281828459045,8.539734222673566);R(b,"C3codes",L(-1,[200978,1184513,1245458,135953,1245442,131857,200962,1180417]),"xneg",null,"opPlanes",null)});ba("JS");Y(null,"JS.SymmetryInfo",["JU.PT","JS.SpaceGroup","$.SymmetryOperation","JU.SimpleUnitCell"],function(){var b=O(function(){this.isMultiCell=
this.coordinatesAreFractional=!1;this.cellRange=this.infoStr=this.additionalOperations=this.symmetryOperations=this.sgName=null;this.latticeType="P";this.intlTableNoFull=this.intlTableNo=null;$(this,arguments)},JS,"SymmetryInfo");G(b,function(){});d(b,"setSymmetryInfo",function(a,c,b){var d;if(null==b){this.cellRange=a.get("unitCellRange");this.sgName=a.get("spaceGroup");if(null==this.sgName||""===this.sgName)this.sgName="spacegroup unspecified";this.intlTableNo=a.get("intlTableNo");this.intlTableNoFull=
a.get("intlTableNoFull");b=a.get("latticeType");this.latticeType=null==b?"P":b.charAt(0);d=a.containsKey("symmetryCount")?a.get("symmetryCount").intValue():0;this.symmetryOperations=a.remove("symmetryOps");this.isMultiCell=(this.coordinatesAreFractional=a.containsKey("coordinatesAreFractional")?a.get("coordinatesAreFractional").booleanValue():!1)&&null!=this.symmetryOperations}else this.cellRange=null,this.sgName=b.getName(),this.intlTableNoFull=b.intlTableNumberFull,this.intlTableNo=b.intlTableNumber,
this.latticeType=b.latticeType,d=b.getOperationCount(),this.symmetryOperations=b.finalOperations,this.coordinatesAreFractional=!0;this.infoStr="Spacegroup: "+this.sgName;if(null!=this.symmetryOperations){var q="";b="\nNumber of symmetry operations: "+(0==d?1:d)+"\nSymmetry Operations:";for(var f=0;f<d;f++){var g=this.symmetryOperations[f];b+="\n"+g.fixMagneticXYZ(g,g.xyz,!0);g.isCenteringOp&&(q+=" ("+JU.PT.rep(JU.PT.replaceAllCharacters(g.xyz,"xyz","0"),"0+","")+")")}0<q.length&&(this.infoStr+="\nCentering: "+
q);this.infoStr+=b;this.infoStr+="\n"}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="");return c},"java.util.Map,~A,JS.SpaceGroup");d(b,"getAdditionalOperations",function(){null==this.additionalOperations&&null!=this.symmetryOperations&&(this.additionalOperations=JS.SymmetryOperation.getAdditionalOperations(this.symmetryOperations));return this.additionalOperations});d(b,
"getSpaceGroupFromOperators",function(){return JS.SpaceGroup.determineSpaceGroupN(this.sgName)})});ba("JS");Y(["JU.P3","$.V3"],"JS.SymmetryDesc","java.lang.Boolean $.Float java.util.Hashtable JU.BS $.Lst $.M4 $.Measure $.P4 $.PT $.Quat $.SB JS.T JS.SpaceGroup $.Symmetry $.SymmetryOperation JU.Escape $.Logger".split(" "),function(){var b=O(function(){this.modelSet=null;$(this,arguments)},JS,"SymmetryDesc");G(b,function(){});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 1145047050: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,d=0,q=a.length;d<q;d++){var f=3==d?"draw":7==d?"axispoint":JS.SymmetryDesc.keys[d];null!=a[d]&&b.put(f,a[d])}return b;case 1073741961:return a[0]+"  \t"+a[2];case 1145047050: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 1145047051: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 1145047050: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 1145047051: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,d,q,f,g,j,h,m,p){a.isFinalized||a.doFinalize();var n=1==h.cardinality()&&h.get(10),l=-1==a.timeReversal;0==f&&(f=1);JS.SymmetryDesc.ptemp.set(0,0,0);JS.SymmetryDesc.vtrans.set(0,0,0);var v=null,t=null==b||Float.isNaN(b.x)?new JU.P3:b;if(null!=d){JS.SymmetryDesc.pta01.setT(t);JS.SymmetryDesc.pta02.setT(d);c.toFractional(JS.SymmetryDesc.pta01,!0);c.toFractional(JS.SymmetryDesc.pta02,!0);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);h.get(10)&&(null!=d&&t.equals(d))&&(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 C=0!=a.timeReversal;if(n&&!C)return a=JS.SymmetryDesc.getKeyType("matrix"),c=Array(-a),c[-1-a]=s,c;n=new JU.V3;JS.SymmetryDesc.pta01.set(1,0,0);JS.SymmetryDesc.pta02.set(0,1,0);var z=JU.P3.new3(0,0,1);JS.SymmetryDesc.pta01.add(t);JS.SymmetryDesc.pta02.add(t);z.add(t);var u=JS.SymmetryDesc.rotTransCart(a,c,t,JS.SymmetryDesc.vtrans),A=JS.SymmetryDesc.rotTransCart(a,c,JS.SymmetryDesc.pta01,
JS.SymmetryDesc.vtrans),Q=JS.SymmetryDesc.rotTransCart(a,c,JS.SymmetryDesc.pta02,JS.SymmetryDesc.vtrans),S=JS.SymmetryDesc.rotTransCart(a,c,z,JS.SymmetryDesc.vtrans),E=JU.V3.newVsub(A,u),D=JU.V3.newVsub(Q,u),T=JU.V3.newVsub(S,u);JS.SymmetryOperation.approx6Pt(JS.SymmetryDesc.vtrans);JS.SymmetryDesc.vtemp.cross(E,D);var K=0>JS.SymmetryDesc.vtemp.dot(T);K&&(A.sub2(u,E),Q.sub2(u,D),S.sub2(u,T));var x=JU.Quat.getQuaternionFrame(u,A,Q).div(JU.Quat.getQuaternionFrame(t,JS.SymmetryDesc.pta01,JS.SymmetryDesc.pta02)),
x=JU.Quat.new4(x.q1,x.q2,x.q3,x.q0),H=JU.Measure.computeHelicalAxis(t,u,x),x=JU.P3.newP(H[0]),I=JU.P3.newP(H[1]),G=w(Math.abs(JU.PT.approx(H[3].x,1))),ea=JS.SymmetryOperation.approx(H[3].y);K&&(A.add2(u,E),Q.add2(u,D),S.add2(u,T));H=JU.V3.newVsub(u,t);0.1>H.length()&&(H=null);var O=null,L=null,N=null,R=0,aa=0,$=0==G,ga=!$,ba=!1,ca=!1,X=!ga&&!K;if(ga||K)H=null;if(K&&$)L=JU.P3.newP(t),L.add(u),L.scale(0.5),O=u,ba=!0;else if(K){var P=0==ea?new JU.V3:I,y=0;switch(G){case 60:y=0.6666667;break;case 120:y=
2;break;case 90:y=1;break;case 180:N=JU.P3.newP(t);N.add(P);x.scaleAdd2(0.5,P,t);0.1<N.distance(u)?(H=JU.V3.newVsub(u,N),JS.SymmetryDesc.setFractional(c,H,JS.SymmetryDesc.ptemp,null),n.setT(JS.SymmetryDesc.ptemp)):H=null;JS.SymmetryDesc.vtemp.setT(I);JS.SymmetryDesc.vtemp.normalize();R=-JS.SymmetryDesc.vtemp.x*x.x-JS.SymmetryDesc.vtemp.y*x.y-JS.SymmetryDesc.vtemp.z*x.z;v=JU.P4.new4(JS.SymmetryDesc.vtemp.x,JS.SymmetryDesc.vtemp.y,JS.SymmetryDesc.vtemp.z,R);aa=0.01>Math.abs(R)&&0.4<JS.SymmetryDesc.vtemp.x*
JS.SymmetryDesc.vtemp.y?1.3:1.05;K=ga=!1;ca=!0;break;default:K=!1}0!=y&&(JS.SymmetryDesc.vtemp.sub2(t,x),JS.SymmetryDesc.vtemp.add(u),JS.SymmetryDesc.vtemp.sub(x),JS.SymmetryDesc.vtemp.sub(P),JS.SymmetryDesc.vtemp.scale(y),x.add(JS.SymmetryDesc.vtemp),L=new JU.P3,L.scaleAdd2(0.5,P,x),O=new JU.P3,O.scaleAdd2(-2,L,u),O.scale(-1))}else null!=H&&(JS.SymmetryDesc.ptemp.setT(H),c.toFractional(JS.SymmetryDesc.ptemp,!1),n.setT(JS.SymmetryDesc.ptemp),c.toCartesian(JS.SymmetryDesc.ptemp,!1),H.setT(JS.SymmetryDesc.ptemp));
var fa=G;JS.SymmetryDesc.approx0(I);if(ga){var U=new JU.P3;JS.SymmetryDesc.vtemp.setT(I);y=G;K?(U.setT(O),y=O):0==ea?(y=u,U.setT(x)):(y=u,U.scaleAdd2(0.5,JS.SymmetryDesc.vtemp,x));JS.SymmetryDesc.ptemp.add2(x,JS.SymmetryDesc.vtemp);y=Math.round(JU.Measure.computeTorsion(t,x,JS.SymmetryDesc.ptemp,y,!0));0!=JS.SymmetryOperation.approx(y)&&(G=y,0>G&&(G=360+G))}var R=y=null,Z=String.fromCharCode(0),Y=a.getOpOrder(),W=a.getOpIsCCW();if(h.get(2)||h.get(15)){y=R="identity";if(ba)JS.SymmetryDesc.ptemp.setT(L),
c.toFractional(JS.SymmetryDesc.ptemp,!1),y="Ci: "+JS.SymmetryDesc.strCoord(a,JS.SymmetryDesc.ptemp,a.isBio),R="inversion center";else if(ga)y=null==W||K||0==ea?"":W===Boolean.TRUE?"(+)":"(-)",K?y=F(360/fa)+"-bar"+y+" axis":0!=ea?(JS.SymmetryDesc.ptemp.setT(I),c.toFractional(JS.SymmetryDesc.ptemp,!1),y=F(360/fa)+y+" ("+JS.SymmetryDesc.strCoord(a,JS.SymmetryDesc.ptemp,a.isBio)+") screw axis"):y="C"+F(360/fa)+y+" axis",R=y;else if(null!=H){var da=" "+JS.SymmetryDesc.strCoord(a,n,a.isBio);$?(R=y="translation",
y+=":"+da):ca&&(m&&(JS.SymmetryDesc.fixGlideTrans(n),H.setT(n),c.toCartesian(H,!0)),da=" "+JS.SymmetryDesc.strCoord(a,n,a.isBio),Z=JS.SymmetryOperation.getGlideFromTrans(n,I),R=y=Z+"-glide plane",y+="|translation:"+da)}else ca&&(R=y="mirror plane");K&&!ba&&(JS.SymmetryDesc.ptemp.setT(L),c.toFractional(JS.SymmetryDesc.ptemp,!1),y+="|at "+JS.SymmetryDesc.strCoord(a,JS.SymmetryDesc.ptemp,a.isBio));l&&(y+="|time-reversed",R+=" (time-reversed)")}var ia=!0,da=ga&&!K&&0!=ea;da||(ia=JS.SymmetryDesc.checkHandedness(c,
I),ia||(G=-G,0>G&&(G=360+G),I.scale(-1)));var ma=!1,M=null;if(null!=q&&h.get(3))if(0==a.getOpType()||p&&a.isIrrelevant)System.out.println("!!SD irrelevent "+a.getOpTitle()+a.getOpPoint()),M="";else{var ha=null,M="\ndraw ID "+q+"_",B=new JU.SB;B.append(M).append("* delete");m||(JS.SymmetryDesc.drawLine(B,M+"frame1X",0.15,t,JS.SymmetryDesc.pta01,"red"),JS.SymmetryDesc.drawLine(B,M+"frame1Y",0.15,t,JS.SymmetryDesc.pta02,"green"),JS.SymmetryDesc.drawLine(B,M+"frame1Z",0.15,t,z,"blue"));var z=null,ja=
0,ka=0.2>t.distance(u);q=m?"<hover>"+q+": "+a.xyz+"\n"+y+"</hover>":null;if(ga){var Z="red",fa=G,la=1;JS.SymmetryDesc.vtemp.setT(I);K&&(Z="purple");aa="";m&&(x.setT(a.getOpPoint()),c.toCartesian(x,!1));U=new JU.P3;0!=ea&&!K?(ha=M+"screw",Z=W===Boolean.TRUE?"orange":W===Boolean.FALSE?"yellow":4==Y?"lightgray":"grey",m||(JS.SymmetryDesc.drawLine(B,M+"rotLine1",0.1,t,x,"red"),JS.SymmetryDesc.ptemp.add2(x,JS.SymmetryDesc.vtemp),JS.SymmetryDesc.drawLine(B,M+"rotLine2",0.1,u,JS.SymmetryDesc.ptemp,"red"),
U.scaleAdd2(0.5,JS.SymmetryDesc.vtemp,x))):(U.setT(x),ia||!ka&&!m&&x.sub2(x,JS.SymmetryDesc.vtemp),K?(ha=M+"rotinv",m?(JS.SymmetryDesc.vtemp.normalize(),W===Boolean.TRUE&&JS.SymmetryDesc.vtemp.scale(-1)):0==ea?(U.setT(L),JS.SymmetryDesc.vtemp.scale(3*f),ka?(JS.SymmetryDesc.ptemp.scaleAdd2(0.25,JS.SymmetryDesc.vtemp,x),x.scaleAdd2(-0.24,JS.SymmetryDesc.vtemp,x),U.scaleAdd2(0.31,JS.SymmetryDesc.vtemp,U),Z="cyan"):(JS.SymmetryDesc.ptemp.scaleAdd2(-1,JS.SymmetryDesc.vtemp,x),JS.SymmetryDesc.drawLine(B,
M+"rotLine1",0.1,t,L,"red"),JS.SymmetryDesc.drawLine(B,M+"rotLine2",0.1,O,L,"red"))):ka||(la=t.distance(U),JS.SymmetryDesc.drawLine(B,M+"rotLine1",0.1,t,U,"red"),JS.SymmetryDesc.drawLine(B,M+"rotLine2",0.1,O,U,"red"))):(ha=M+"rot",JS.SymmetryDesc.vtemp.scale(3*f),!ka&&!m&&(JS.SymmetryDesc.drawLine(B,M+"rotLine1",0.1,t,U,"red"),JS.SymmetryDesc.drawLine(B,M+"rotLine2",0.1,u,U,"red")),U.setT(x),0==ea&&ka&&U.scaleAdd2(0.25,JS.SymmetryDesc.vtemp,U)));m||(180<fa&&(fa=180-fa),JS.SymmetryDesc.ptemp.add2(U,
JS.SymmetryDesc.vtemp),B.append(M).append("rotRotArrow arrow width 0.1 scale "+JU.PT.escF(la)+" arc ").append(JU.Escape.eP(U)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.setT(t),0.1>JS.SymmetryDesc.ptemp.distance(u)&&JS.SymmetryDesc.ptemp.set(Math.random(),Math.random(),Math.random()),B.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.set(0,fa-5*Math.signum(fa),0),B.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color red"));(ma=ma||!a.opIsLong&&p&&0<
ea&&!K&&a.getOpTrans().length()>(2==Y?0.71:3==Y?0.578:4==Y?0.51:0.3))&&System.out.println("SD ignoring "+a.getOpTrans().length()+" "+a.getOpTitle()+a.xyz);f=null;if(0==ea&&!K){JS.SymmetryDesc.ptemp.scaleAdd2(0.5,JS.SymmetryDesc.vtemp,x);x.scaleAdd2(m?-0.5:-0.45,JS.SymmetryDesc.vtemp,x);if(p&&null!=(f=a.getOpPoint2()))U.setT(f),c.toCartesian(U,!1),U.scaleAdd2(-0.5,JS.SymmetryDesc.vtemp,U);m&&this.scaleByOrder(JS.SymmetryDesc.vtemp,Y,W)}else p&&0!=ea&&!K&&0.4<(P=a.getOpTrans().length())?W!==Boolean.TRUE&&
null!=W&&0.5==P&&(ma=!0):m&&K&&(f=A,JS.SymmetryDesc.vtemp.scale(-1),this.scaleByOrder(JS.SymmetryDesc.vtemp,Y,W),aa="80");0<ea&&!K&&(aa=""+(90-w(90*(1*JS.SymmetryDesc.vtemp.length()/ea))));ma||(p=ha+Y+"rotVector1",JS.SymmetryDesc.drawVector(B,M,p,"vector","0.1"+aa,x,JS.SymmetryDesc.vtemp,l?"gray":Z,q),null!=f&&JS.SymmetryDesc.drawVector(B,M,p+"b","vector","0.1"+aa,U,JS.SymmetryDesc.vtemp,l?"gray":Z,q))}else if(ca){JS.SymmetryDesc.ptemp.sub2(N,t);!m&&0.2<t.distance(N)&&JS.SymmetryDesc.drawVector(B,
M,"planeVector","vector","0.05",t,JS.SymmetryDesc.ptemp,l?"gray":"cyan",null);P=JU.P4.newPt(v);if(null==H)Z="green";else{ha=M+"glide";switch(Z.charCodeAt(0)){case 103:Z="gold";break;case 97:Z="magenta";break;case 98:Z="violet";break;case 99:Z="blue";break;case 110:Z="orange";break;case 100:Z="grey";break;default:Z="grey"}P.w+=0.01;m||(JS.SymmetryDesc.drawFrameLine("X",N,E,0.15,JS.SymmetryDesc.ptemp,B,ha,"red"),JS.SymmetryDesc.drawFrameLine("Y",N,D,0.15,JS.SymmetryDesc.ptemp,B,ha,"green"),JS.SymmetryDesc.drawFrameLine("Z",
N,T,0.15,JS.SymmetryDesc.ptemp,B,ha,"blue"))}P=this.modelSet.vwr.getTriangulator().intersectPlane(P,c.getCanonicalCopy(aa,!0),3);if(null!=P){ea=m&&a.isCoincident;z=new JU.P3;B.length();for(f=P.size();0<=--f;)aa=P.get(f),B.append(M).append(null==H?"m":"g").append("planep").appendI(f).append(" ").append(JU.Escape.eP(aa[0])).append(JU.Escape.eP(aa[1])),3==aa.length?(!ea||0==f%2!=(null==H))&&B.append(JU.Escape.eP(aa[2])):(z.add(aa[0]),z.add(aa[1]),ja+=2),B.append(" color translucent ").append(Z),null!=
q&&B.append(" ").append(JU.PT.esc(q))}if(null==P||0==P.size())p?ma=!0:(JS.SymmetryDesc.ptemp.add2(x,I),B.append(M).append("planeCircle scale 2.0 circle ").append(JU.Escape.eP(x)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color translucent ").append(Z).append(" mesh fill"),null!=q&&B.append(" ").append(JU.PT.esc(q)))}K&&(ha=M+"inv",ba?(B.append(M).append("invPoint diameter 0.4 ").append(JU.Escape.eP(L)),null!=q&&B.append(" ").append(JU.PT.esc(q)),JS.SymmetryDesc.ptemp.sub2(O,t),m||JS.SymmetryDesc.drawVector(B,
M,"Arrow","vector","0.05",t,JS.SymmetryDesc.ptemp,l?"gray":"cyan",null)):(4==Y&&(B.append(M).append("RotPoint diameter 0.3 color red").append(JU.Escape.eP(L)),null!=q&&B.append(" ").append(JU.PT.esc(q))),m||(B.append(" color cyan"),ka||(JS.SymmetryDesc.ptemp.sub2(u,O),JS.SymmetryDesc.drawVector(B,M,"Arrow","vector","0.05",O,JS.SymmetryDesc.ptemp,l?"gray":"cyan",null)),1073742066!=g&&(JS.SymmetryDesc.vtemp.setT(E),JS.SymmetryDesc.vtemp.scale(-1),JS.SymmetryDesc.drawFrameLine("X",O,JS.SymmetryDesc.vtemp,
0.15,JS.SymmetryDesc.ptemp,B,ha,"red"),JS.SymmetryDesc.vtemp.setT(D),JS.SymmetryDesc.vtemp.scale(-1),JS.SymmetryDesc.drawFrameLine("Y",O,JS.SymmetryDesc.vtemp,0.15,JS.SymmetryDesc.ptemp,B,ha,"green"),JS.SymmetryDesc.vtemp.setT(T),JS.SymmetryDesc.vtemp.scale(-1),JS.SymmetryDesc.drawFrameLine("Z",O,JS.SymmetryDesc.vtemp,0.15,JS.SymmetryDesc.ptemp,B,ha,"blue")))));null!=H&&(ca&&m?null!=z&&(N=z,N.scale(1/ja),N.scaleAdd2(-0.5,H,N)):null==N&&(N=m?new JU.P3:JU.P3.newP(t)),null!=N&&!ma&&JS.SymmetryDesc.drawVector(B,
M,"transVector","vector",X?"0.1":"0.05",N,H,l&&!K&&!ca&&!ga?"darkGray":"gold",q));m||(JS.SymmetryDesc.ptemp2.setT(u),JS.SymmetryDesc.ptemp.sub2(A,u),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),JS.SymmetryDesc.drawLine(B,M+"frame2X",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,"red"),JS.SymmetryDesc.ptemp.sub2(Q,u),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),JS.SymmetryDesc.drawLine(B,M+"frame2Y",0.2,JS.SymmetryDesc.ptemp2,
JS.SymmetryDesc.ptemp,"green"),JS.SymmetryDesc.ptemp.sub2(S,u),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),JS.SymmetryDesc.drawLine(B,M+"frame2Z",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,"purple"),B.append("\nsym_point = "+JU.Escape.eP(t)),B.append("\nvar p0 = "+JU.Escape.eP(JS.SymmetryDesc.ptemp2)),V(t,"JM.Atom")?(B.append("\nvar set2 = within(0.2,p0);if(!set2){set2 = within(0.2,p0.uxyz.xyz)}"),B.append("\n set2 &= {_"+t.getElementSymbol()+"}")):B.append("\nvar set2 = p0.uxyz"),
B.append("\nsym_target = set2;if (set2) {"),!ka&&(1073742066!=g&&null==d&&!j)&&(B.append(M).append("offsetFrameX diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(E)).append("*0.9} color red"),B.append(M).append("offsetFrameY diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(D)).append("*0.9} color green"),B.append(M).append("offsetFrameZ diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(T)).append("*0.9} color purple")),B.append("\n}\n"));M=B.toString();JU.Logger.debugging&&
JU.Logger.info(M)}null==H&&(n=null);da&&(H=JU.V3.newV(I),JS.SymmetryDesc.ptemp.setT(H),c.toFractional(JS.SymmetryDesc.ptemp,!1),n=JU.V3.newV(JS.SymmetryDesc.ptemp));ca&&(G=0);K?ba&&(n=H=I=x=null):$&&(I=x=null);null!=I&&I.normalize();g=null;if(h.get(0)||h.get(17))g=a.isBio?s.toString():0<a.modDim?a.xyzOriginal:JS.SymmetryOperation.getXYZFromMatrix(s,!1,!1,!1),C&&(g=a.fixMagneticXYZ(s,g,!0));j=Array(20);for(f=h.nextSetBit(0);0<=f;f=h.nextSetBit(f+1))switch(f){case 0:j[f]=g;break;case 19:null!=b&&(null==
d&&!a.isBio&&0==a.modDim)&&(JS.SymmetryDesc.pta02.setT(b),c.toFractional(JS.SymmetryDesc.pta02,!0),s.rotTrans(JS.SymmetryDesc.pta02),JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta02),c.unitize(JS.SymmetryDesc.pta02),JS.SymmetryDesc.vtrans.sub2(JS.SymmetryDesc.pta02,JS.SymmetryDesc.ptemp),s=JU.M4.newM4(a),s.add(JS.SymmetryDesc.vtrans),m=JS.SymmetryOperation.getXYZFromMatrix(s,!1,!1,!1),C&&(m=a.fixMagneticXYZ(s,m,!0)),j[f]=m);break;case 1:j[f]=a.xyzOriginal;break;case 2:j[f]=y;break;case 3:j[f]=M;break;
case 4:j[f]=JS.SymmetryDesc.approx0(n);break;case 5:j[f]=JS.SymmetryDesc.approx0(H);break;case 6:j[f]=JS.SymmetryDesc.approx0(L);break;case 7:j[f]=JS.SymmetryDesc.approx0(null!=x&&h.get(22)?t:x);break;case 8:j[f]=null==v?JS.SymmetryDesc.approx0(I):null;break;case 9:j[f]=0!=G?Integer.$valueOf(G):null;break;case 10:j[f]=s;break;case 11:j[f]=0<JS.SymmetryDesc.vtrans.lengthSquared()?JS.SymmetryDesc.vtrans:null;break;case 12:j[f]=a.getCentering();break;case 13:j[f]=Integer.$valueOf(a.timeReversal);break;
case 14:null!=v&&h.get(22)&&(P=JU.Measure.distanceToPlane(v,t),v.w-=P);j[f]=v;break;case 15:j[f]=R;break;case 16:j[f]=Integer.$valueOf(a.number);break;case 17:m=null;!a.isBio&&!g.equals(a.xyzOriginal)&&0<a.number&&(l=JS.SymmetryOperation.getMatrixFromXYZ(a.xyzOriginal,!1),l.sub(s),m=new JU.P3,l.getTranslation(m));j[f]=(0>a.number?0:a.number)+(null==m?" [0 0 0]":" ["+w(-m.x)+" "+w(-m.y)+" "+w(-m.z)+"]");break;case 18:j[f]=a.xyzCanonical}return j},"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(12.001*a)){case 9:return-0.25;case -9:return 0.25;default:return a}},"~N");b.checkHandedness=d(b,"checkHandedness",function(a,c){var b,d,q;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);d=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));JS.SymmetryDesc.ptemp.set(0,0,1);a.toCartesian(JS.SymmetryDesc.ptemp,!1);q=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));return 0==b?0==d?0<q:0<d:0==q?0<b:0==d?0<q:0<b*d*q},"J.api.SymmetryInterface,JU.P3");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.drawLine=d(b,"drawLine",function(a,c,b,d,q,f){a.append(c).append(" diameter ").appendD(b).append(JU.Escape.eP(d)).append(JU.Escape.eP(q)).append(" color ").append(f)},
"JU.SB,~S,~N,JU.P3,JU.P3,~S");b.drawFrameLine=d(b,"drawFrameLine",function(a,c,b,d,q,f,g,j){q.setT(c);q.add(b);JS.SymmetryDesc.drawLine(f,g+"Pt"+a,d,c,q,"translucent "+j)},"~S,JU.P3,JU.V3,~N,JU.P3,JU.SB,~S,~S");b.drawVector=d(b,"drawVector",function(a,c,b,d,q,f,g,j,h){d.equals("vline")&&(JS.SymmetryDesc.ptemp2.add2(f,g),d="",g=JS.SymmetryDesc.ptemp2);a.append(c).append(b).append(" diameter ").append(q+" ").append(d).append(JU.Escape.eP(f)).append(JU.Escape.eP(g)).append(" color ").append(j);null!=
h&&a.append(' "'+h+'"')},"JU.SB,~S,~S,~S,~S,JU.T3,JU.T3,~S,~S");b.setFractional=d(b,"setFractional",function(a,c,b,d){b.setT(c);null!=d&&a.toUnitCell(b,d);a.toFractional(b,!1)},"J.api.SymmetryInterface,JU.T3,JU.P3,JU.P3");b.rotTransCart=d(b,"rotTransCart",function(a,c,b,d){b=JU.P3.newP(b);c.toFractional(b,!1);a.rotTrans(b);b.add(d);c.toCartesian(b,!1);return b},"JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.V3");b.strCoord=d(b,"strCoord",function(a,c,b){JS.SymmetryDesc.approx0(c);return b?
c.x+" "+c.y+" "+c.z:a.fcoord2(c)},"JS.SymmetryOperation,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,d,q,f,g,j,h,m,p,n,l,v){var t=0,s=JS.SymmetryDesc.nullReturn(m);switch(m){case 1073741994:return""+b.getLatticeType();case 1073742001:t=1825200146;break;case 135176:t=
135176;break;case 1275068418:switch(t=JS.SymmetryDesc.getType(h),t){case 1153433601:case 1073741961:case 1073742001:case 134217751:case 1086326789:case 36868:m=t;break;default:t=JS.SymmetryDesc.getKeyType(h)}}var w=JS.SymmetryDesc.getInfoBS(t),z=-2==n,u=q,A=1073742066==l&&(1153433601==m||134217751==m)?j:null;null!=A&&(j=null);var F=u=null,C=null;if(null==j){if(null==d){C=z?b.getAdditionalOperations():b.getSymmetryOperations();if(null==C||Math.abs(q)>C.length||0==q)return s;u=Math.abs(q)-1;d=null==
f?C[u].xyz:C[u].getxyzTrans(f);F=C[u].xyzOriginal}else u=q=0;var E=new JS.Symmetry;E.setSpaceGroup(!1);var D=null!=b&&b.isBio();j=D?E.addBioMoleculeOperation(b.getSpaceGroup().finalOperations[u],0>q):E.addSpaceGroupOperation((0>q?"!":"=")+d,Math.abs(q));if(0>j)return s;var G=E.getSpaceGroupOperation(j);v&&(G.isCoincident=C[u].isCoincident);null!=F&&(G.xyzOriginal=F);G.number=q;D||G.getCentering();null==g&&0<=c&&(g=this.modelSet.at[c]);if(134217751==m||1153433601==m){if(D||null==g)return s;E.setUnitCell(b);
JS.SymmetryDesc.ptemp.setT(g);b.toFractional(JS.SymmetryDesc.ptemp,!1);if(Float.isNaN(JS.SymmetryDesc.ptemp.x))return s;t=new JU.P3;E.newSpaceGroupPoint(JS.SymmetryDesc.ptemp,j,null,0,0,0,t);1073742066==l&&(b.unitize(t),t.add(A));E.toCartesian(t,!1);return 1153433601==m?this.getAtom(b,a,c,t):t}u=this.createInfoArray(G,b,g,null,null==h?"sym":h,p,l,null!=f,w,v,z);1275068418==m&&null!=h&&(t=JS.SymmetryDesc.getKeyType(h))}else{z="info";A=!1;switch(m){case 1275068418:t=JS.SymmetryDesc.getKeyType(h);h=
z=null;0==n&&(n=-1);break;case 1073742001:h=z=null;0==n&&(n=-1);A=!0;w.set(21);w.set(0);w.set(19);break;case 135176:null==h&&(h=v?"sg":"sym");z="all";A=!0;break;case 1153433601:h=z=null;default:0==n&&(n=1)}l=this.getSymopInfoForPoints(b,a,q,f,g,j,h,z,p,n,l,w);if(A)return l;if("string"==typeof l)return s;u=l;if(1153433601==m)return!V(g,"JM.Atom")&&!V(j,"JM.Atom")&&(c=-1),null==u?s:this.getAtom(b,a,c,u[7])}if(null==u)return s;a=0<u.length&&V(u[0],Array);if(0>n&&0>=q&&null==d&&(1275068418==m||a)){1275068418==
m&&(0<u.length&&!V(u[0],Array))&&(u=Q(-1,[u]));a=new JU.Lst;for(j=0;j<u.length;j++)a.addLast(JS.SymmetryDesc.getInfo(u[j],0>t?t:m));return a}if(0>t&&(0<=n||0<q||null!=d))m=t;0<n&&a&&(u=u[0]);135176==m&&(v&&-2==n)&&(m=134217764);return JS.SymmetryDesc.getInfo(u,m)},"~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,d){var q=null;0<=b&&this.modelSet.getAtomBitsMDa(1094715402,Integer.$valueOf(this.modelSet.at[b].getElementNumber()),q=new JU.BS);b=
new JU.BS;this.modelSet.getAtomsWithin(0.02,d,b,c);null!=q&&b.and(q);b.isEmpty()&&(d=JU.P3.newP(d),a.toUnitCell(d,null),a.toCartesian(d,!1),this.modelSet.getAtomsWithin(0.02,d,b,c),null!=q&&b.and(q));return b},"J.api.SymmetryInterface,~N,~N,JU.T3");d(b,"getSymopInfoForPoints",function(a,c,b,d,q,f,g,j,h,m,l,n){d=n.get(21)||n.get(3)&&3==n.cardinality();n.clear(21);var r=d?"":null;f=this.getSpaceGroupInfo(a,c,null,b,q,f,g,h,m,!1,!0,l,null,n);if(null==f)return r;a=f.get("operations");if(null==a)return r;
c=d?new JU.SB:null;b--;q=!d&&0>b;f=f.get("symmetryInfo");m="label".equals(j);for(h=j=0;h<a.length;h++)if(!(null==a[h]||0<=b&&b!=h))if(d){if(null!=g)return a[h][3]+"\nprint "+JU.PT.esc(f);0<c.length()&&c.appendC("\n");m||(0>b&&c.appendI(h+1).appendC("\t"),c.append(a[h][0]).appendC("\t"));c.append(a[h][2])}else{if(!q)return a[h];a[j++]=a[h]}if(!d){b=Array(j);for(h=0;h<j;h++)b[h]=a[h];return b}return 0==c.length()?null!=g?"draw "+g+"* delete":r:c.toString()},"J.api.SymmetryInterface,~N,~N,JU.P3,JU.P3,JU.P3,~S,~S,~N,~N,~N,JU.BS");
d(b,"getSymopInfo",function(a,b,d,k,q,f,g,j,h,m,l,n){0==j&&(j=JS.SymmetryDesc.getType(g));var r=1153433601==j?new JU.BS:"",v=0<=a?this.modelSet.at[a].mi:this.modelSet.vwr.am.cmi;if(0>v)return r;var t=this.modelSet.am[v].biosymmetry;if(null==t&&null==(t=this.modelSet.getUnitCell(v)))t=(new JS.Symmetry).setUnitCell(null,!1);if(135176!=j||2147483647!=d&&null==n)return this.getSymmetryInfo(v,a,t,b,d,k,q,f,g,j,h,m,l,!1);if(null==t)return r;j="";d=null==b&&(0>m&&null==n)&&-2==m?t.getAdditionalOperations():
t.getSymmetryOperations();if(null!=d)if(null==g&&(g="sg"),r=d.length,null!=q&&null==f||null!=n){null==n&&(n=t.getInvariantSymops(q,null));for(var r=n.length,s=0;s<r;s++)0<m&&m!=s+1||(d=n[s],j+=this.getSymmetryInfo(v,a,t,b,d,k,q,f,g+d,135176,h,m,l,null==q))}else for(d=1;d<=r;d++)j+=this.getSymmetryInfo(v,a,t,b,d,k,q,f,g+d,135176,h,m,l,!0);return j},"~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");d(b,"getSpaceGroupInfo",function(a,b,d,k,q,f,g,j,h,m,l,n,r,v){null==v&&(v=new JU.BS,v.setBits(0,JS.SymmetryDesc.keys.length),
v.clear(19));var t=1==v.cardinality()&&v.get(10),s=null,w=!t&&null==q&&null==g&&0>=h&&v.cardinality()>=JS.SymmetryDesc.keys.length,z=!1,u=null,A=null!=d&&0<d.length,C=A&&0<=d.indexOf("[--]");if(l||!A){var F=w&&0==k;if(t)r=a;else{0>b&&(b=V(q,"JM.Atom")?q.mi:this.modelSet.vwr.am.cmi);if(0>b)u="no single current model";else if(null==r&&!(z=null!=(r=this.modelSet.am[b].biosymmetry))&&null==(r=this.modelSet.getUnitCell(b)))u="not applicable";null!=u?(s=new java.util.Hashtable,s.put("spaceGroupInfo",""),
s.put("spaceGroupNote",u),s.put("symmetryInfo","")):w&&(s=this.modelSet.getInfo(b,"spaceGroupInfo"));if(null!=s)return s;d=r.getSpaceGroupName()}var s=new java.util.Hashtable,u=r.getSymmetryOperations(),E=z?r.spaceGroup:null,w=C?"":null,D=0;if(null!=u){t||(z?a.setSpaceGroupTo(JS.SpaceGroup.getNull(!1,!1,!1)):a.setSpaceGroup(!1));0!=u[0].timeReversal&&(a.getSpaceGroupOperation(0).timeReversal=1);for(var G=Array(u.length),K="",x=0,H=0;x<u.length&&H!=h;x++){var I=u[x],O=I.xyzOriginal,L;if(t)L=x;else{L=
!(0==x&&0<=I.xyz.indexOf("x4"))&&null!=a.getSpaceGroupOperation(x)?x:z?a.addBioMoleculeOperation(E.finalOperations[x],!1):a.addSpaceGroupOperation("="+I.xyz,x+1);if(0>L)continue;I=a.getSpaceGroupOperation(x);if(null==I)continue;I.xyzOriginal=O}null!=w&&(w+=";"+I.xyz);I=0<k&&k-1!=L?null:this.createInfoArray(I,r,q,f,g,j,n,!1,v,!1,!1);if(null!=I&&!(0<h&&++H!=h)&&(G[x]=I,t||(K+="\n"+(x+1)+"\t"+I[v.get(19)?19:0]+"\t  "+I[2]),D++,0<k))break}s.put("operations",G);t||s.put("symmetryInfo",0==K.length?"":K.substring(1))}if(t)return s;
u=0==D?"\n no symmetry operations":0>=h&&0>=k?"\n"+D+" symmetry operation"+(1==D?":\n":"s:\n"):"";null!=w&&(d=w.substring(w.indexOf(";")+1));F&&this.modelSet.setInfo(b,"spaceGroupInfo",s)}else s=new java.util.Hashtable;s.put("spaceGroupName",d);s.put("spaceGroupNote",null==u?"":u);if(z)a=d;else if(A&&!C&&a.setSpaceGroupName(d),a=a.getSpaceGroupInfoObj(d,null==r?null:r.getUnitCellParams(),m,!l),null==a||a.equals("?"))a="?",s.put("spaceGroupNote","could not identify space group from name: "+d+'\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,b,d,k,q){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(k);JS.SymmetryDesc.vtrans.setT(JS.SymmetryDesc.pta02);a.unitize(JS.SymmetryDesc.pta02);k=3.4028235E38;for(var f=-1,g=0,j=b.length;g<j;g++){var h=
b[g];JS.SymmetryDesc.pta01.setT(d);h.rotTrans(JS.SymmetryDesc.pta01);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);var m=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);if(1.96E-6>m){JS.SymmetryDesc.vtrans.sub(JS.SymmetryDesc.ptemp);JS.SymmetryOperation.normalize12ths(JS.SymmetryDesc.vtrans);h=JU.M4.newM4(h);h.add(JS.SymmetryDesc.vtrans);JS.SymmetryDesc.pta01.setT(d);h.rotTrans(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);m=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);
if(1.96E-6<=m)continue;return h}m<k&&(k=m,f=g)}q&&(h=b[f],JS.SymmetryDesc.pta01.setT(d),h.rotTrans(JS.SymmetryDesc.pta01),a.unitize(JS.SymmetryDesc.pta01),System.err.println(""+f+" "+JS.SymmetryDesc.pta01.distance(JS.SymmetryDesc.pta02)+" "+JS.SymmetryDesc.pta01+" "+JS.SymmetryDesc.pta02+" "+JU.V3.newVsub(JS.SymmetryDesc.pta02,JS.SymmetryDesc.pta01)));return null},"JS.UnitCell,~A,JU.P3,JU.P3,~B");R(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.vtemp=b.prototype.vtemp=new JU.V3;b.ptemp=b.prototype.ptemp=new JU.P3;b.ptemp2=b.prototype.ptemp2=new JU.P3;b.pta01=b.prototype.pta01=new JU.P3;b.pta02=b.prototype.pta02=new JU.P3;b.vtrans=b.prototype.vtrans=new JU.V3});ba("JS");Y(["JU.SimpleUnitCell","JU.P3","JV.JC"],"JS.UnitCell","java.lang.Double $.Float java.util.Hashtable JU.Lst $.M3 $.M4 $.P4 $.PT $.Quat $.V3 J.api.Interface JS.Symmetry JU.BoxInfo $.Escape".split(" "),
function(){var b=O(function(){this.fractionalOffset=this.vertices=null;this.allFractionalRelative=!1;this.moreInfo=this.unitCellMultiplied=this.unitCellMultiplier=this.cartesianOffset=null;this.name="";$(this,arguments)},JS,"UnitCell",JU.SimpleUnitCell,Cloneable);ia(b,function(){this.cartesianOffset=new JU.P3});b.fromOABC=d(b,"fromOABC",function(a,b){var d=new JS.UnitCell;3==a.length&&(a=Q(-1,[new JU.P3,a[0],a[1],a[2]]));var k=C(-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]);d.init(k);d.allFractionalRelative=b;d.initUnitcellVertices();d.setCartesianOffset(a[0]);return d},"~A,~B");b.fromParams=d(b,"fromParams",function(a,b){var d=new JS.UnitCell;d.init(a);d.initUnitcellVertices();d.allFractionalRelative=b;return d},"~A,~B");d(b,"initOrientation",function(a){if(null!=a){var b=new JU.M4;b.setToM3(a);this.matrixFractionalToCartesian.mul2(b,this.matrixFractionalToCartesian);this.matrixCartesianToFractional.setM4(this.matrixFractionalToCartesian).invert();this.initUnitcellVertices()}},
"JU.M3");d(b,"toUnitCell",function(a,b){null!=this.matrixCartesianToFractional&&(null==b?(this.matrixCartesianToFractional.rotTrans(a),this.unitize(a),this.matrixFractionalToCartesian.rotTrans(a)):(this.matrixCtoFNoOffset.rotTrans(a),this.unitize(a),a.add(b),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");d(b,"toUnitCellRnd",function(a,b){null!=this.matrixCartesianToFractional&&(null==b?(this.matrixCartesianToFractional.rotTrans(a),this.unitizeRnd(a),this.matrixFractionalToCartesian.rotTrans(a)):
(this.matrixCtoFNoOffset.rotTrans(a),this.unitizeRnd(a),a.add(b),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");d(b,"unitize",function(a){JU.SimpleUnitCell.unitizeDim(this.dimension,a)},"JU.T3");d(b,"unitizeRnd",function(a){JU.SimpleUnitCell.unitizeDimRnd(this.dimension,a)},"JU.T3");d(b,"reset",function(){this.unitCellMultiplied=this.unitCellMultiplier=null;this.setOffset(JU.P3.new3(0,0,0))});d(b,"setOffset",function(a){if(null!=a){this.unitCellMultiplied=null;var b=V(a,"JU.T4")?a:null,d=null==
b?1.4E-45:b.w,k=999999<d;if(null!=b?0>=d||k:100<=a.x||100<=a.y)if(this.unitCellMultiplier=0==a.z&&a.x==a.y&&!k?null:k?JU.P4.newPt(b):JU.P3.newP(a),this.unitCellMultiplied=null,null==b||0==b.w||k)return;if(this.hasOffset()||0<a.lengthSquared())this.fractionalOffset=new JU.P3,this.fractionalOffset.setT(a);this.matrixCartesianToFractional.m03=-a.x;this.matrixCartesianToFractional.m13=-a.y;this.matrixCartesianToFractional.m23=-a.z;this.cartesianOffset.setT(a);this.matrixFractionalToCartesian.m03=0;this.matrixFractionalToCartesian.m13=
0;this.matrixFractionalToCartesian.m23=0;this.matrixFractionalToCartesian.rotTrans(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))}},"JU.T3");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=new JU.P3;this.fractionalOffset.setT(this.cartesianOffset);this.matrixCartesianToFractional.m03=0;this.matrixCartesianToFractional.m13=0;this.matrixCartesianToFractional.m23=0;this.matrixCartesianToFractional.rotTrans(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)},"JU.T3");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,"dumpInfo",function(a,b){var d=b?this.getUnitCellMultiplied():this;return d!==this?d.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,"getUnitCellMultiplied",function(){if(null==this.unitCellMultiplier||0<this.unitCellMultiplier.z&&this.unitCellMultiplier.z==w(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,"getVertices",function(){return this.vertices});
d(b,"getCartesianOffset",function(){return this.cartesianOffset});d(b,"getFractionalOffset",function(){return this.fractionalOffset});d(b,"getTensor",function(a,b){var d=J.api.Interface.getUtil("Tensor",a,"file");if(0==b[0]&&0==b[1]&&0==b[2]){var k=b[7],q=C(-1,[k,k,k]);return d.setFromEigenVectors(JS.UnitCell.unitVectors,q,"iso","Uiso="+k,null)}d.parBorU=b;var k=pa(6,0),f=w(b[6]);if(12==f)k[0]=19.739208802178716*b[0],k[1]=19.739208802178716*b[1],k[2]=19.739208802178716*b[2],k[3]=39.47841760435743*
b[3],k[4]=39.47841760435743*b[4],k[5]=39.47841760435743*b[5],b[7]=(b[0]+b[1]+b[3])/3;else{var q=4==f||5==f||8==f||9==f,g=2-f%2,j=8==f||9==f||10==f?19.739208802178716:4==f||5==f?0.25:2==f||3==f?Math.log(2):1,f=b[0]*j*(q?this.a_*this.a_:1),h=b[1]*j*(q?this.b_*this.b_:1),m=b[2]*j*(q?this.c_*this.c_:1),l=b[3]*j*(q?this.a_*this.b_:1)*g,n=b[4]*j*(q?this.a_*this.c_:1)*g,q=b[5]*j*(q?this.b_*this.c_:1)*g;b[7]=Math.pow(f/19.739208802178716/this.a_/this.a_*h/19.739208802178716/this.b_/this.b_*m/19.739208802178716/
this.c_/this.c_,0.3333);k[0]=this.a*this.a*f+this.b*this.b*this.cosGamma*this.cosGamma*h+this.c*this.c*this.cosBeta*this.cosBeta*m+this.a*this.b*this.cosGamma*l+this.b*this.c*this.cosGamma*this.cosBeta*q+this.a*this.c*this.cosBeta*n;k[1]=this.b*this.b*this.sinGamma*this.sinGamma*h+this.c*this.c*this.cA_*this.cA_*m+this.b*this.c*this.cA_*this.sinGamma*q;k[2]=this.c*this.c*this.cB_*this.cB_*m;k[3]=2*this.b*this.b*this.cosGamma*this.sinGamma*h+2*this.c*this.c*this.cA_*this.cosBeta*m+this.a*this.b*this.sinGamma*
l+this.b*this.c*(this.cA_*this.cosGamma+this.sinGamma*this.cosBeta)*q+this.a*this.c*this.cA_*n;k[4]=2*this.c*this.c*this.cB_*this.cosBeta*m+this.b*this.c*this.cosGamma*q+this.a*this.c*this.cB_*n;k[5]=2*this.c*this.c*this.cA_*this.cB_*m+this.b*this.c*this.cB_*this.sinGamma*q}return d.setFromThermalEquation(k,JU.Escape.eAF(b))},"JV.Viewer,~A");d(b,"getCanonicalCopy",function(a,b){var d=this.getScaledCell(b);return JU.BoxInfo.getCanonicalCopy(d,a)},"~N,~B");d(b,"getScaledCell",function(a){var b=Array(8),
d=null,k=null;a&&(null!=this.unitCellMultiplier&&0==this.unitCellMultiplier.z)&&(d=new JU.P3,k=new JU.P3,JU.SimpleUnitCell.ijkToPoint3f(w(this.unitCellMultiplier.x),d,0,0),JU.SimpleUnitCell.ijkToPoint3f(w(this.unitCellMultiplier.y),k,0,0),k.sub(d));for(var l=null==this.unitCellMultiplier||0==this.unitCellMultiplier.z?1:Math.abs(this.unitCellMultiplier.z),f=0;8>f;f++){var g=b[f]=JU.P3.newP(JU.BoxInfo.unitCubePoints[f]);null!=d&&b[f].add3(d.x+k.x*g.x,d.y+k.y*g.y,d.z+k.z*g.z);b[f].scale(l);this.matrixFractionalToCartesian.rotTrans(g);
a||g.sub(this.cartesianOffset)}return b},"~B");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,"checkDistance",function(a,b,d,k,l,f,g,j){a=JU.P3.newP(a);this.toCartesian(a,!0);for(var h=
-l;h<=l;h++)for(var m=-f;m<=f;m++)for(var p=-g;p<=g;p++){j.set(b.x+h,b.y+m,b.z+p);this.toCartesian(j,!0);var n=a.distance(j);if(0<k?Math.abs(n-d)<=k:n<=d&&0.1<n)return j.set(h,m,p),!0}return!1},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");d(b,"getUnitCellMultiplier",function(){return this.unitCellMultiplier});d(b,"getUnitCellVectors",function(){var a=this.matrixFractionalToCartesian;return Q(-1,[JU.P3.newP(this.cartesianOffset),JU.P3.new3(this.fix(a.m00),this.fix(a.m10),this.fix(a.m20)),JU.P3.new3(this.fix(a.m01),
this.fix(a.m11),this.fix(a.m21)),JU.P3.new3(this.fix(a.m02),this.fix(a.m12),this.fix(a.m22))])});d(b,"fix",function(a){return 0.001>Math.abs(a)?0:a},"~N");d(b,"isSameAs",function(a){if(a.unitCellParams.length!=this.unitCellParams.length)return!1;for(var b=this.unitCellParams.length;0<=--b;)if(this.unitCellParams[b]!=a.unitCellParams[b]&&(!Float.isNaN(this.unitCellParams[b])||!Float.isNaN(a.unitCellParams[b])))return!1;return null==this.fractionalOffset?!a.hasOffset():null==a.fractionalOffset?!this.hasOffset():
0==this.fractionalOffset.distanceSquared(a.fractionalOffset)},"JS.UnitCell");d(b,"hasOffset",function(){return null!=this.fractionalOffset&&0!=this.fractionalOffset.lengthSquared()});d(b,"getQuaternionRotation",function(a){var b=JU.V3.newVsub(this.vertices[4],this.vertices[0]),d=JU.V3.newVsub(this.vertices[2],this.vertices[0]),k=JU.V3.newVsub(this.vertices[1],this.vertices[0]),l=new JU.V3,f=new JU.V3,g="-"==a.charAt(0)?-1:1;0>g&&(a=a.substring(1));var j=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 h=(j=!j.equals(a))?1:0;2==a.length&&(h=a.charCodeAt(1)-48,a=a.substring(0,1));var m=0==h%2;switch("abcABCDEF".indexOf(a)){case 7:g=-g;case 4:b.cross(k,d),h=(5-h)%4+1;default:a=b;b=k;break;case 8:g=-g;case 5:g=-g,d.cross(k,b),h=(2+h)%4+1;case 1:a=d;d=k;g=-g;break;case 3:g=-g;case 6:k.cross(b,d),m&&(h=6-h);case 2:a=k,!j&&0<h&&(h=5-h)}0<h&&0<g!=m&&(b=d,a.scale(-1));switch(h){case 2:a.scale(-1);b.scale(-1);break;case 3:b.scale(-1);break;
case 4:a.scale(-1)}l.cross(a,b);f.cross(l,a);return JU.Quat.getQuaternionFrame(null,f,l).inv()},"~S");d(b,"getV0abc",function(a,b){if(V(a,Array))return a;var d,k=!1,l=Array(4),f=l[0]=JU.V3.new3(0,0,0);l[1]=JU.V3.new3(1,0,0);l[2]=JU.V3.new3(0,1,0);l[3]=JU.V3.new3(0,0,1);var g=new JU.M3;if("string"==typeof a){d=a;var j="0,0,0";if(0==d.indexOf("a="))return JU.SimpleUnitCell.setOabc(d,null,l);k=d.indexOf(";");0<=k&&(j=d.substring(k+1),d=d.substring(0,k));d+=";0,0,0";(k=d.startsWith("!"))&&(d=d.substring(1));
var h=new JS.Symmetry;h.setSpaceGroup(!1);d=h.addSpaceGroupOperation("="+d,0);if(0>d)return null;d=h.getSpaceGroupOperation(d);d.doFinalize();j=JU.PT.split(j,",");h=C(3,0);if(3==j.length)for(var m=0;3>m;m++){var p=j[m],n=p.indexOf("/");h[m]=0<=n?JU.PT.parseFloat(p.substring(0,n))/JU.PT.parseFloat(p.substring(n+1)):JU.PT.parseFloat(p)}j=JU.P3.new3(h[0],h[1],h[2]);d.setTranslation(j);null!=b&&b.setM4(d)}else if(V(a,"JU.M3"))d=JU.M4.newMV(a,new JU.P3);else if(V(a,"JU.M4"))d=a;else{d=a[0];d.getRotationScale(g);
this.toCartesian(f,!1);d.rotTrans(f);for(d=1;4>d;d++)this.toCartesian(l[d],!0),g.rotate(l[d]);return l}d.getRotationScale(g);d.getTranslation(f);k?(g.invert(),g.transpose(),g.rotate(f),f.scale(-1)):g.transpose();this.toCartesian(f,!1);for(d=1;4>d;d++)g.rotate(l[d]),this.toCartesian(l[d],!0);return l},"~O,JU.M4");d(b,"toFromPrimitive",function(a,b,d,k){var l=d.length-3,f=null;if("r"==b||null==k){switch(b.charCodeAt(0)){default:return!1;case 114:return JU.SimpleUnitCell.getReciprocal(d,d,1),!0;case 80:a=
!0;f=JU.M3.newA9(C(-1,[1,0,0,0,1,0,0,0,1]));break;case 65:f=JU.M3.newA9(C(-1,[1,0,0,0,0.5,0.5,0,-0.5,0.5]));break;case 66:f=JU.M3.newA9(C(-1,[0.5,0,0.5,0,1,0,-0.5,0,0.5]));break;case 67:f=JU.M3.newA9(C(-1,[0.5,0.5,0,-0.5,0.5,0,0,0,1]));break;case 82:f=JU.M3.newA9(C(-1,[0.6666667,-0.33333334,-0.33333334,0.33333334,0.33333334,-0.6666667,0.33333334,0.33333334,0.33333334]));break;case 73:f=JU.M3.newA9(C(-1,[-0.5,0.5,0.5,0.5,-0.5,0.5,0.5,0.5,-0.5]));break;case 70:f=JU.M3.newA9(C(-1,[0,0.5,0.5,0.5,0,0.5,
0.5,0.5,0]))}a||f.invert()}else f=JU.M3.newM3(k),a&&f.invert();for(a=d.length;--a>=l;)b=d[a],this.toFractional(b,!1),f.rotate(b),this.toCartesian(b,!1);return!0},"~B,~S,~A,JU.M3");d(b,"getConventionalUnitCell",function(a,b){var d=this.getUnitCellVectors();(!a.equals("P")||null!=b)&&this.toFromPrimitive(!1,a.charAt(0),d,b);return d},"~S,JU.M3");b.cloneUnitCell=d(b,"cloneUnitCell",function(a){var b=null;try{b=a.clone()}catch(d){if(!da(d,"CloneNotSupportedException"))throw d;}return b},"JS.UnitCell");
d(b,"getEquivPoints",function(a,b,d,k,l,f){var g=0<=b.indexOf("fromfractional"),j=0<=b.indexOf("tofractional");b=0<=b.indexOf("packed");null==k&&(k=new JU.Lst);a=JU.P3.newP(a);g||this.toFractional(a,!0);for(var g=k.size(),h=0,m=d.length;h<m;h++){var p=JU.P3.newP(a);d[h].rotTrans(p);p.x=this.fixFloor(p.x-Math.floor(p.x));p.y=this.fixFloor(p.y-Math.floor(p.y));p.z=this.fixFloor(p.z-Math.floor(p.z));k.addLast(p);g++}if(b)for(h=f;h<g;h++)a.setT(k.get(h)),this.unitizeRnd(a),0==a.x&&(k.addLast(JU.P3.new3(0,
a.y,a.z)),k.addLast(JU.P3.new3(1,a.y,a.z)),0==a.y&&(k.addLast(JU.P3.new3(1,1,a.z)),k.addLast(JU.P3.new3(0,0,a.z)),0==a.z&&(k.addLast(JU.P3.new3(1,1,1)),k.addLast(JU.P3.new3(0,0,0))))),0==a.y&&(k.addLast(JU.P3.new3(a.x,0,a.z)),k.addLast(JU.P3.new3(a.x,1,a.z)),0==a.z&&(k.addLast(JU.P3.new3(a.x,0,0)),k.addLast(JU.P3.new3(a.x,1,1)))),0==a.z&&(k.addLast(JU.P3.new3(a.x,a.y,0)),k.addLast(JU.P3.new3(a.x,a.y,1)),0==a.x&&(k.addLast(JU.P3.new3(0,a.y,0)),k.addLast(JU.P3.new3(1,a.y,1))));JS.UnitCell.checkDuplicate(k,
l,f,-1);if(!j)for(h=k.size();--h>=f;)this.toCartesian(k.get(h),!0);return k},"JU.P3,~S,~A,JU.Lst,~N,~N");d(b,"fixFloor",function(a){return 1==a?0:a},"~N");b.checkDuplicate=d(b,"checkDuplicate",function(a,b,d,k){for(0>k&&(k=a.size());b<k;b++)for(var l=a.get(b),f=Math.max(b+1,d);f<k;f++)1.96E-6>a.get(f).distanceSquared(l)&&(a.removeItemAt(f),k--,f--)},"JU.Lst,~N,~N,~N");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});b.unitVectors=b.prototype.unitVectors=Q(-1,[JV.JC.axisX,JV.JC.axisY,JV.JC.axisZ])})})(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.defineStatics,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.p0p,Clazz.pu$h,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);
