(function(ca,da,ea,fa,ga,ha,S,N,T,W,X,F,Y,Z,ia,P,L,Q,$,ja,aa,ka,la,ma,na,oa,pa,E,qa,ra,sa,ta,ua,va,wa,xa,ya,za,Aa,Ba,Ca,Da,Ea,Fa,Ga,Ha,Ia,Ja,Ka,La,Ma,Na,Oa,Pa,Qa,k,ba){S("JS");T(null,"JS.ScriptExt",["JU.AU"],function(){var p=X(function(){this.e=this.vwr=null;this.chk=!1;this.st=null;this.slen=0;W(this,arguments)},JS,"ScriptExt",null);k(p,"init",function(a){this.e=a;this.vwr=this.e.vwr;return this},"~O");k(p,"atomExpressionAt",function(a){return this.e.atomExpressionAt(a)},"~N");k(p,"checkLength",
function(a){this.e.checkLength(a)},"~N");k(p,"error",function(a){this.e.error(a)},"~N");k(p,"invArg",function(){this.e.invArg()});k(p,"invPO",function(){this.error(23)});k(p,"getShapeProperty",function(a,c){return this.e.getShapeProperty(a,c)},"~N,~S");k(p,"paramAsStr",function(a){return this.e.paramAsStr(a)},"~N");k(p,"centerParameter",function(a){return this.e.centerParameter(a,null)},"~N");k(p,"floatParameter",function(a){return this.e.floatParameter(a)},"~N");k(p,"getPoint3f",function(a,c){return this.e.getPoint3f(a,
c,!0)},"~N,~B");k(p,"intParameter",function(a){return this.e.intParameter(a)},"~N");k(p,"isFloatParameter",function(a){switch(this.e.tokAt(a)){case 2:case 3:return!0}return!1},"~N");k(p,"setShapeProperty",function(a,c,b){this.e.setShapeProperty(a,c,b)},"~N,~S,~O");k(p,"showString",function(a){this.e.showString(a)},"~S");k(p,"stringParameter",function(a){return this.e.stringParameter(a)},"~N");k(p,"getToken",function(a){return this.e.getToken(a)},"~N");k(p,"tokAt",function(a){return this.e.tokAt(a)},
"~N");k(p,"setShapeId",function(a,c,b){b&&this.invArg();c=this.e.setShapeNameParameter(c).toLowerCase();this.setShapeProperty(a,"thisID",c);return c},"~N,~N,~B");k(p,"getColorTrans",function(a,c,b,f){b=3.4028235E38;1765808134!=a.theTok&&--c;switch(this.tokAt(c+1)){case 1111490588:c++;b=this.isFloatParameter(c+1)?a.getTranslucentLevel(++c):this.vwr.getFloat(570425353);break;case 1073742074:c++,b=0}a.isColorParam(c+1)?f[0]=a.getArgbParam(++c):1073742333==this.tokAt(c+1)?(f[0]=0,a.iToken=c+1):3.4028235E38==
b?this.invArg():f[0]=-2147483648;return b},"JS.ScriptEval,~N,~B,~A");k(p,"finalizeObject",function(a,c,b,f,e,d,j,h){e&&this.setShapeProperty(a,"set",d);-2147483648!=c&&this.e.setShapePropertyBs(a,"color",Integer.$valueOf(c),h);3.4028235E38!=b&&this.e.setShapeTranslucency(a,"","translucent",b,h);0!=f&&this.setShapeProperty(a,"scale",Integer.$valueOf(f));0>j&&(j=-1-j,this.setShapeProperty(a,"token",Integer.$valueOf(1073742018)),this.setShapeProperty(a,"token",Integer.$valueOf(1073742046)));0<j&&(this.e.setMeshDisplayProperty(a,
j,0)||this.invArg())},"~N,~N,~N,~N,~B,~O,~N,JU.BS");k(p,"getIntArray2",function(a){a=this.e.getToken(a).getList();for(var c=JU.AU.newInt2(a.size()),b=c.length;0<=--b;){var f=a.get(b).getList();null==f&&this.invArg();c[b]=L(f.size(),0);for(var e=c[b].length;0<=--e;)c[b][e]=f.get(e).intValue}return c},"~N");k(p,"getAllPoints",function(a,c){var b=null,f=null;try{switch(this.e.tokAt(a)){case 7:b=this.e.getPointArray(a,-1,!1,!0);break;case 12290:case 10:case 1073742325:f=this.atomExpressionAt(a)}null==
b&&(null==f&&(f=this.vwr.getAllAtoms()),b=this.bsToArray(f))}catch(e){if(!P(e,Exception))throw e;}(null==b||b.length<c)&&this.invArg();return b},"~N,~N");k(p,"bsToArray",function(a){for(var c=Array(a.cardinality()),b=a.nextSetBit(0),f=0;0<=b;b=a.nextSetBit(b+1))c[f++]=this.vwr.ms.at[b];return c},"JU.BS")});S("JS");T(["JS.ScriptExt"],"JS.CmdExt","java.util.Hashtable JU.AU $.BS $.Base64 $.Lst $.M3 $.M4 $.Measure $.P3 $.P4 $.PT $.Quat $.SB $.V3 J.api.Interface J.atomdata.RadiusData J.c.STER $.VDW J.i18n.GT JM.AtomCollection $.LabelToken $.Measurement $.Text JS.SV $.ScriptCompiler $.ScriptError $.ScriptEval $.ScriptInterruption $.ScriptMathProcessor $.ScriptParam $.T JU.BSUtil $.BoxInfo $.C $.Edge $.Elements $.Escape $.Logger $.Parser $.Point3fi $.SimpleUnitCell JV.FileManager $.JC $.StateManager $.Viewer".split(" "),
function(){var p=$(JS,"CmdExt",JS.ScriptExt);Z(p,function(){aa(this,JS.CmdExt,[])});ba(p,"dispatch",function(a,c,b){this.chk=this.e.chk;this.slen=this.e.slen;this.st=b;switch(a){case 4108:this.audio();break;case 1073741866:b[0].value=this.prepareBinaryOutput(b[0]);break;case 4098:this.assign(!1);break;case 134221829:this.cache();break;case 4102:this.calculate();break;case 4103:this.capture();break;case 4105:this.centerAt();break;case 134221831:this.compare();break;case 528395:this.console();break;
case 4106:this.connect(1);break;case 1094717448:this.configuration();break;case 134221834:this.data();break;case 1613238294:this.connect(0);break;case 4120:this.image();break;case 4122:this.invertSelected();break;case 4124:this.macro();break;case 4125:this.mapProperty();break;case 4126:this.minimize(!1);break;case 603983903:this.modelkit();break;case 1275072532:this.modulation();break;case 4130:this.mutate();break;case 4131:this.navigate();break;case 4133:case 134221850:case 4138:this.plot(b);break;
case 134222350:this.show();break;case 528443:this.stereo();break;case 1814695966:this.unitcell(c?2:1,!1);break;case 134221856:return this.write(c?b:null);case 6:this.measure();break;case 21:this.polyhedra();break;case 20:this.ellipsoid();break;case 4:this.struts()}return null},"~N,~B,~A");k(p,"audio",function(){var a=new java.util.Hashtable,c=null,b=null,b=null,f=this.e.iToken+1;if(1073742334==this.tokAt(f))this.checkLength(f+1),this.chk||this.vwr.sm.stopAudio(null);else{for(;f<this.slen;f++)switch(this.tokAt(f)){case 1073741974:null!=
c&&this.invArg();c=this.paramAsStr(++f);break;case 4:b=this.stringParameter(f);a.put("audioFile",b);break;case 1073741940:b=this.stringParameter(++f);c=this.addFilterAttribute(a,b,"id");this.addFilterAttribute(a,b,"loop");this.addFilterAttribute(a,b,"start");this.addFilterAttribute(a,b,"pause");this.addFilterAttribute(a,b,"play");this.addFilterAttribute(a,b,"ended");this.addFilterAttribute(a,b,"action");break;default:this.checkLength(f+1),a.containsKey("action")&&this.invArg(),b=this.paramAsStr(f),
a.put("autoclose",Boolean.FALSE),a.put("action",b)}!this.chk&&!a.isEmpty()&&(null==c&&(c="audio1"),a.put("id",c),this.vwr.sm.playAudio(a))}});k(p,"addFilterAttribute",function(a,c,b){c=JU.PT.getQuotedOrUnquotedAttribute(c,b);null!=c&&0<c.length&&a.put(b,c);return c},"java.util.Map,~S,~S");k(p,"macro",function(){if(!this.chk){var a=this.e.optParameterAsString(1);if(0==a.length)this.showString(this.vwr.getMacro(null));else{var c=this.vwr.getMacro(a);null==c?this.showString("macro "+a+" could not be found. Current macros include:\n"+
this.vwr.getMacro(null)):(this.showString("running "+c),this.e.cmdScript(4124,c,null,null))}}});k(p,"evalParallel",function(a,c){this.chk=this.e.chk;this.slen=this.e.slen;var b=(new JS.ScriptEval).setViewer(this.vwr);b.historyDisabled=!0;b.compiler=new JS.ScriptCompiler(this.vwr);b.sm=c;try{b.restoreScriptContext(a,!0,!1,!1),b.setAllowJSThreads(!1),b.dispatchCommands(!1,!1,!1)}catch(f){if(P(f,Exception))return this.e.vwr.setStringProperty("_errormessage",""+f),null==b.thisContext&&(JU.Logger.error("Error evaluating context "+
f),f.printStackTrace()),!1;throw f;}return!0},"JS.ScriptContext,JV.ShapeManager");k(p,"getBitsetIdent",function(a,c,b,f,e,d){return this.getBitsetIdentFull(a,c,f,e,d,null)},"JU.BS,~S,~O,~B,~N,~B");k(p,"getBitsetIdentFull",function(a,c,b,f,e,d){var j=!N(a,"JM.BondSet");j?null==c?c=this.vwr.getStandardLabelFormat(0):0==c.length&&(c="%[label]"):null!=c&&0==c.length?c="[%a1 #%i1] %4.3LENGTH [%a2 #%i2] #%#":"%U".equals(c)&&(c="");var h=null==c?-1:c.indexOf("%"),g=2147483647!=f;if(null==a||this.chk||j&&
0>h)return null==c&&(c=""),e?E(-1,[c]):c;var h=this.vwr.ms,s=0;null==JS.CmdExt.labeler&&(JS.CmdExt.labeler=h.getLabeler());b=j||!b?null:a.getAssociatedAtoms(h);var m=null==c||0==c.length,n=j||m?null:JS.CmdExt.labeler.getBondLabelValues();c=m?null:j?JS.CmdExt.labeler.compile(this.vwr,c,"\x00",null):JS.CmdExt.labeler.compile(this.vwr,c,"\u0001",n);var R=g?1:a.cardinality(),l=null!=d;l||(d=Array(R));var z=new JU.P3;for(f=g?f:a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1)){var q;if(j)q=m?h.at[f].getInfo():
JS.CmdExt.labeler.formatLabelAtomArray(this.vwr,h.at[f],c,"\x00",b,z);else{q=h.bo[f];if(null==q)continue;q=m?q.getIdentity():JS.CmdExt.labeler.formatLabelBond(this.vwr,q,c,n,b,z)}q=JU.PT.formatStringI(q,"#",s+1);d[l?f:s]=q;s++;if(g)break}return 1==R&&!e?d[0]:d},"JU.BS,~S,~B,~N,~B,~A");k(p,"getLoadSymmetryParams",function(a,c,b){var f=this.e;this.chk=f.chk;this.slen=f.slen;var e=!1,d=null,j=this.tokAt(a);if(1073742332==j||8==j)d=f.getFractionalPoint(a),j=this.tokAt(a=f.iToken+1);switch(j){case 134217764:e=
b.get("isEmptyLoad")===Boolean.TRUE;case 1073741938:case 1073742080:case 1094713350:case 1073742163:case 1073742114:case 1814695966:null==d&&(d=JU.P3.new3(555,555,-1)),f.iToken=a-1}j=null;if(null!=d){b.put("lattice",d);a=f.iToken+1;c.append(" "+JU.SimpleUnitCell.escapeMultiplier(d));a=this.checkPacked(a,0,b,c);if(1094713350==this.tokAt(a)){b.put("centroid",Boolean.TRUE);c.append(" CENTROID");var h=0;this.isFloatParameter(a+1)&&(--a,h=1073742080);a=this.checkPacked(++a,h,b,c)}if(1073742163==this.tokAt(a)){c.append(" SUPERCELL ");
if(f.isPoint3f(++a)){h=this.getPoint3f(a,!1);if(h.x!=F(h.x)||h.y!=F(h.y)||h.z!=F(h.z)||1>h.x||1>h.y||1>h.z)f.iToken=a,this.invArg();a=f.iToken}else h=this.stringParameter(a);c.append(JU.Escape.e(h));b.put("supercell",h);a=this.checkPacked(++a,0,b,c)}h=0;1073742114==this.tokAt(a)&&(a++,h=this.floatParameter(a++),c.append(" range "+h));b.put("symmetryRange",Float.$valueOf(h));var h=null,g,s=-2147483648;134217764==this.tokAt(a)&&(++a,h=JU.PT.rep(this.paramAsStr(a++),"''",'"'),c.append(" spacegroup "+
JU.PT.esc(h)),h.equalsIgnoreCase("ignoreOperators")?s=-999:(0==h.length?(g=this.vwr.getCurrentUnitCell(),null!=g&&(h=g.getSpaceGroupName())):0<=h.indexOf(",")&&9>d.x&&(9>d.y&&0==d.z)&&(h+="#doNormalize=0"),b.put("spaceGroupName",h),s=-2));d=null;if(1814695966==this.tokAt(a)){++a;g=f.optParameterAsString(a);0==g.length?(g=this.vwr.getCurrentUnitCell(),null!=g&&(d=g.getUnitCellAsArray(!0),j=g.getCartesianOffset())):4==this.tokAt(a)?(d=Q(6,0),JU.SimpleUnitCell.setAbc(g,d,null)):d=f.floatParameterSet(a,
6,9);(null==d||6!=d.length&&9!=d.length)&&this.invArg();c.append(" unitcell [");for(a=0;a<d.length;a++)c.append((0==a?"":" ")+d[a]);c.append("]");b.put("unitcell",d);-2147483648==s&&(s=-1);a=f.iToken+1}-2147483648!=s&&b.put("spaceGroupIndex",Integer.$valueOf(s));e&&null==d&&null!=h&&JU.PT.parseInt(h)}e=!1;null==j&&1073742066==this.tokAt(a)&&(j=this.getPoint3f(++a,!0),e=f.coordinatesAreFractional);null!=j&&(e?(j.setT(f.fractionalPoint),b.put("unitCellOffsetFractional",e?Boolean.TRUE:Boolean.FALSE),
c.append(" offset {"+j.x+" "+j.y+" "+j.z+"/1}")):c.append(" offset "+JU.Escape.eP(j)),b.put("unitCellOffset",j),a=f.iToken+1);return a},"~N,JU.SB,java.util.Map");k(p,"checkPacked",function(a,c,b,f){0==c&&(c=this.tokAt(a));switch(c){case 1073741938:b.put("packed",Boolean.TRUE);var e=null;c=this.tokAt(++a);switch(c){case 1812599299:case 1814695966:case 4:break;default:this.e.isArrayParameter(a)?(e=this.e.getPointArray(a,-1,!1,!0),a=this.e.iToken):this.isFloatParameter(a)?(e=this.floatParameter(a),e=
E(-1,[new JU.P3,JU.P3.new3(e,e,e)])):(e=[],--a)}a++;if(this.e.chk)break;switch(c){case 4:a--;case 1814695966:c=this.e.optParameterAsString(a++).toLowerCase();if(JU.PT.isOneOf(c,";conventional;primitive;rhombohedral;trigonal;")||0<=c.indexOf(",")&&0<=c.indexOf("a")&&0<=c.indexOf("b")&&0<=c.indexOf("c"))return b.put("fillRange",c),f.append(' FILL UNITCELL "'+c+'"'),a;c=this.vwr.getCurrentUnitCell();if(null!=c){e=JU.BoxInfo.toOABC(c.getUnitCellVerticesNoOffset(),c.getCartesianOffset());break}case 1812599299:e=
JU.BoxInfo.toOABC(this.vwr.ms.getBBoxVertices(),null)}switch(e.length){case 2:c=e[1];e=E(-1,[e[0],JU.P3.newP(e[0]),new JU.P3,new JU.P3]);e[1].x=c.x;e[2].y=c.y;e[3].z=c.z;break;case 3:e=E(-1,[new JU.P3,e[0],e[1],e[2]]);break;case 4:break;default:e=E(-1,[new JU.P3,JU.P3.new3(10,0,0),JU.P3.new3(0,10,0),JU.P3.new3(0,0,10)])}b.put("fillRange",e);f.append(" FILL ["+e[0]+e[1]+e[2]+e[3]+"]");break;case 1073742080:c=NaN,this.isFloatParameter(++a)&&(c=this.floatParameter(a++)),this.e.chk||(b.put("packed",Boolean.TRUE),
f.append(" PACKED"),Float.isNaN(c)||(b.put("packingRange",Float.$valueOf(c)),f.append(" "+c)))}return a},"~N,~N,java.util.Map,JU.SB");k(p,"cache",function(){var a=this.tokAt(1),c=null,b=2;switch(a){case 1275069441:case 1073742119:c=this.e.optParameterAsString(b++);case 1073741882:this.checkLength(b);this.chk||("all".equals(c)&&(c=null),c=this.vwr.cacheFileByName(c,1275069441==a),this.showString(0>c?"cache cleared":c+" bytes "+(1275069441==a?" cached":" removed")));break;default:this.invArg()}});k(p,
"calculate",function(){var a=!1,c=!1,b=null,f=null,e=this.e,d=-2147483648,d=-1;if(2<=(e.iToken=e.slen))switch(e.clearDefinedVariableAtomSets(),this.getToken(1).tok){case 2:if(3!=this.intParameter(1)||!this.paramAsStr(2).equalsIgnoreCase("D"))break;0>this.vwr.am.cmi&&e.errorStr(30,"calculate 3D");b="load append $ filter '2D';select visible;center selected";e.optParameterAsString(3).equalsIgnoreCase("ZAP")&&(b+=";zap modelIndex="+Math.max(this.vwr.am.cmi,0));this.chk||e.runScript(b);return;case 1073741824:this.checkLength(2);
break;case 134217764:e.iToken=1;b=2==this.slen?null:this.atomExpressionAt(2);e.checkLast(e.iToken);this.chk||e.showString(""+this.vwr.findSpaceGroup(null,b,null,null,null,null,1));return;case 1086324752:e.iToken=1;b=2==this.slen?null:this.atomExpressionAt(2);e.checkLast(e.iToken);this.chk||e.showString(this.vwr.calculateChirality(b));return;case 1631586315:this.checkLength(2);if(this.chk)return;d=this.vwr.calculateFormalCharges(null);this.showString(J.i18n.GT.i(J.i18n.GT.$("{0} charges modified"),
d));return;case 1075838996:this.checkLength(2);this.chk||this.vwr.ms.assignAromaticBondsBs(!0,null);return;case 1613238294:2!=e.slen&&(b=(c=1639976963==this.tokAt(++e.iToken))?this.vwr.bsA():this.atomExpressionAt(e.iToken),!c&&1639976963!=this.tokAt(++e.iToken)&&(f=this.atomExpressionAt(e.iToken)));if(this.chk)return;d=this.vwr.autoHbond(b,f,!1);-2147483648!=d&&e.report(J.i18n.GT.i(J.i18n.GT.$("{0} hydrogen bonds"),Math.abs(d)),!1);return;case 1612709900:a=this.tokAt(2);(c=1073742335==a)?e.iToken++:
528443==a&&e.iToken++;b=this.slen==e.iToken+1?null:this.atomExpressionAt(e.iToken+1);null==b&&528443==a&&(b=this.vwr.getAtomBitSet("_C & connected(3) & !connected(double)"));e.checkLast(e.iToken);this.chk||(this.vwr.addHydrogens(b,0),c&&(null==b&&(b=this.vwr.bsA()),this.vwr.makeConnections(0.1,1E8,515,1073742025,b,b,null,!1,!1,0),this.vwr.ms.assignAromaticBondsBs(!0,null)));return;case 1111492619:e.iToken=1;b=2==this.slen?null:this.atomExpressionAt(2);e.checkLast(e.iToken);this.chk||e.getPartialCharges(b);
return;case 1088421903:case 1275068447:this.chk||(1275203608==this.tokAt(2)?(a=4==this.tokAt(3)?this.stringParameter(3):null,b=null!=a||3==this.slen?null:this.atomExpressionAt(3),b=E(-1,[a,null,b]),this.showString(e.getShapePropertyData(21,"symmetry",b)?b[1]:"")):(b=2==this.slen?this.vwr.bsA():this.atomExpressionAt(2),a=null,12289==this.tokAt(e.iToken)&&(a=e.centerParameter(e.iToken+1,null)),this.showString(this.vwr.ms.calculatePointGroup(b,a))));return;case 1111490574:this.checkLength(2);this.chk||
(this.vwr.calculateStraightness(),this.vwr.addStateScript("set quaternionFrame '"+this.vwr.getQuaternionFrame()+"'; calculate straightness",!1,!0));return;case 1639976963:b=4>this.slen||this.isFloatParameter(3)?null:this.atomExpressionAt(2);switch(this.tokAt(++e.iToken)){case 4138:break;case 1111490587:if(this.chk)return;e.showString(this.vwr.getAnnotationParser(!0).calculateDSSRStructure(this.vwr,b));return;case 1073741915:c=!0;d=this.slen==e.iToken+1?-1:F(this.floatParameter(++e.iToken));break;
case 0:c=this.vwr.getBoolean(603979826);break;default:this.invArg()}this.chk||this.showString(this.vwr.calculateStructures(b,c,!0,d));return;case 659482:b=e.iToken+1<this.slen?this.atomExpressionAt(++e.iToken):null;f=e.iToken+1<this.slen?this.atomExpressionAt(++e.iToken):null;this.checkLength(++e.iToken);this.chk||(d=this.vwr.calculateStruts(b,f),0<d&&(this.setShapeProperty(1,"type",Integer.$valueOf(32768)),e.setShapePropertyBs(1,"color",Integer.$valueOf(16777215),null),e.setShapeTranslucency(1,"",
"translucent",0.5,null),this.setShapeProperty(1,"type",Integer.$valueOf(1023))),this.showString(J.i18n.GT.i(J.i18n.GT.$("{0} struts added"),d)));return;case 2097180:a=!0;case 1111490575:c=!1;switch(this.tokAt(2)){case 134217759:e.iToken++;break;case 0:c=!a;break;case 1073741952:c=!0;e.iToken++;break;default:c=!0}b=e.iToken+1<this.slen?this.atomExpressionAt(++e.iToken):this.vwr.bsA();this.checkLength(++e.iToken);this.chk||this.vwr.calculateSurface(b,c?3.4028235E38:-1);return}e.errorStr2(53,"CALCULATE",
"3D? aromatic? hbonds? hydrogen? formalCharge? partialCharge? pointgroup? straightness? structure? struts? surfaceDistance FROM? surfaceDistance WITHIN?")});k(p,"capture",function(){if(!this.chk&&!this.vwr.allowCapture())this.showString("Cannot capture on this platform");else{var a=this.vwr.captureParams,c=null==a?"GIF":a.get("type"),b=0,f=0,e=this.e.slen,d="",j=1073742070!=this.vwr.am.animationReplayMode,h=1,g=this.tokAt(h),s=1111490588==g;s&&(g=this.tokAt(++h));var m=null;switch(0==g?g=102409:g){case 4:d=
this.e.optParameterAsString(h++);if(0==d.length){f=102409;break}c=d.toLowerCase();c.endsWith(".gift")||c.endsWith(".pngt")?(s=!0,d=d.substring(0,d.length-1),c=d.toLowerCase()):!c.endsWith(".gif")&&!c.contains(".png")&&(d+=".gif");c.endsWith(".png")?(c.endsWith("0.png")||(d=d.substring(0,d.length-4)+"0000.png"),c="PNG"):c="GIF";s&&(c+="T");g=d.indexOf("0000.");g=0>g||g!=d.lastIndexOf(".")-4;f=!1;528411==this.tokAt(h)&&(j=!0,this.tokAt(++h));switch(this.tokAt(h)){case 134222850:m=this.stringParameter(++h);
break;case 1073742129:f=!0;case 1611141175:a="y";j=!0;h++;f?(h<e&&2!=this.tokAt(h)&&(a=this.e.optParameterAsString(h++).toLowerCase()),m="rotate Y 10 10;rotate Y -10 -10;rotate Y -10 -10;rotate Y 10 10",e=h<e?this.intParameter(h++):5,m=0>e?JU.PT.rep(m,"10;",""+-e+";"):JU.PT.rep(m,"10",""+e)):(h<e&&(a=this.e.optParameterAsString(h++).toLowerCase()),m="rotate Y 360 30;");if(this.chk)return;this.vwr.setNavigationMode(!1);if(""===a||0>"xyz".indexOf(a))a="y";m=JU.PT.rep(m,"Y",a);break;case 3:case 2:b=
this.floatParameter(h++)}if(this.chk)return;if(null!=m){m="set waitformoveto true;"+m+";set waitformoveto "+this.vwr.g.waitForMoveTo;m="capture "+(s?"transparent ":"")+JU.PT.esc(d)+(j?" LOOP;":";")+m+";capture end;";this.e.cmdScript(0,null,m,null);return}f=1073742031;a=new java.util.Hashtable;s=this.vwr.getInt(553648132);g&&(a.put("streaming",Boolean.TRUE),j||this.showString(J.i18n.GT.o(J.i18n.GT.$("Note: Enable looping using the LOOP keyword just after the file name or {0}"),E(-1,["ANIMATION MODE LOOP"]))),
this.showString(J.i18n.GT.o(J.i18n.GT.$("Animation delay based on: {0}"),E(-1,["ANIMATION FPS "+s]))));a.put("captureFps",Integer.$valueOf(s));break;case 102409:case 1073741874:null!=a&&a.put("captureSilent",Boolean.TRUE);case 1073742335:case 1073742334:this.checkLength(-2);f=g;break;default:this.invArg()}this.chk||null==a||(a.put("type",c),c=Integer.$valueOf(this.vwr.getBackgroundArgb()),a.put("backgroundColor",c),a.put("fileName",d),a.put("quality",Integer.$valueOf(-1)),a.put("endTime",Long.$valueOf(0>=
b?-1:System.currentTimeMillis()+Y(1E3*b))),a.put("captureMode",JS.T.nameOf(f).toLowerCase()),a.put("captureLooping",j?Boolean.TRUE:Boolean.FALSE),b=this.vwr.processWriteOrCapture(a),null==b&&(b="canceled"),JU.Logger.info(b))}});k(p,"centerAt",function(){var a=this.getToken(1).tok;switch(a){case 1073741826:case 96:case 1812599299:break;default:this.invArg()}var c=JU.P3.new3(0,0,0);5==this.slen?(c.x=this.floatParameter(2),c.y=this.floatParameter(3),c.z=this.floatParameter(4)):this.e.isCenterParameter(2)?
(c=this.centerParameter(2),this.e.checkLast(this.e.iToken)):this.checkLength(2);!this.chk&&!this.vwr.isJmolDataFrame()&&this.vwr.tm.setCenterAt(a,c)});k(p,"compare",function(){var a=this.e,c=!1,b=!1,f=!1,e=!1,d=!1,j=!1,h=null,g=null,s=null,m=null,n=null,R=null;a.iToken=0;var l=this.isFloatParameter(1)?this.floatParameter(++a.iToken):NaN,z=null,q=null,t=null,e=0;if(4115==this.tokAt(1))q=this.vwr.bsA();else if(q=this.atomExpressionAt(1),a.isArrayParameter(++a.iToken))z=a.getPointArray(a.iToken,-1,!1,
!0);else if(1153433601!=(e=this.tokAt(a.iToken))&&4115!=e)t=this.atomExpressionAt(a.iToken);var r=null,p=!1,v=!1,k=null,u=JU.BSUtil.copy(q);null!=t&&u.or(t);for(var x=null==z&&null!=t&&u.equals(q),u=x,K=1153433601==e,U=!1,w=a.iToken+1;w<this.slen;++w)switch(this.getToken(w).tok){case 4115:u=!0;null==t&&(t=JU.BSUtil.copy(q));break;case 134218757:if(p=!0,e=this.tokAt(w+1),4!=e&&1275203608!=e){k="*";break}case 134218756:k=(v=1275203608==this.tokAt(++w))?"polyhedra":this.stringParameter(w);if(k.equalsIgnoreCase("polyhedra")||
k.equalsIgnoreCase("polyhedron"))v=!0;break;case 1677721602:b=d=!0;k=this.paramAsStr(++w);k.equalsIgnoreCase("SMILES")&&(p=!0,1612709900==this.e.tokAt(w+1)?(k="H",w++):k="*");break;case 3:case 2:l=Math.abs(this.floatParameter(w));break;case 268436992:break;case 2109448:r=this.atomExpressionAt(++w);w=a.iToken;break;case 10:case 1073742325:null!=R&&this.invArg();s=this.atomExpressionAt(a.iToken);e=x?0:this.tokAt(a.iToken+1);m=null==z&&a.isArrayParameter(a.iToken+1)?null:10==e||1073742325==e?this.atomExpressionAt(++a.iToken):
JU.BSUtil.copy(s);null!=r&&(s.and(r),null!=m&&m.and(r));null==m?(e=a.iToken,z=a.getPointArray(a.iToken+1,-1,!1,!0),null==z?a.iToken=e:U=!0):null!=t&&m.and(t);null==n&&(n=new JU.Lst);n.addLast(E(-1,[s,null==m?z:m]));K&&(z=null);w=a.iToken;break;case 1275203608:p=v=!0;break;case 4125:break;case 7:null!=n&&this.invArg();c=!0;h=a.getQuaternionArray(a.theToken.getList(),1073742001);this.getToken(++w);g=a.getQuaternionArray(a.theToken.getList(),1073742001);null==R&&(R=new JU.Lst);R.addLast(E(-1,[h,g]));
break;case 1073742077:c=!0;break;case 1153433601:K=!0;c=!1;break;case 134217751:c=!1;break;case 1073742029:j=!0;break;case 528432:b=!0;break;case 4160:f=!0;break;default:this.invArg()}if(!this.chk){u&&(l=0);Float.isNaN(l)||0>l?l=1:!j&&(!b&&!f)&&(b=f=!0);e=0!=l;(K=!c&&null==k&&!v||null!=z)&&J.api.Interface.getInterface("JU.Eigen",this.vwr,"script");null==n&&null==R&&(v&&null==r&&(r=this.vwr.getAtomBitSet("polyhedra")),null==r?(s=K?this.vwr.getAtomBitSet("spine"):new JU.BS,0>s.nextSetBit(0)?(s=q,m=
t):(m=JU.BSUtil.copy(s),s.and(q),m.and(t))):(s=JU.BSUtil.copy(q),m=JU.BSUtil.copy(t),s.and(r),s.and(q),null!=m&&(m.and(r),m.and(t))),n=new JU.Lst,n.addLast(E(-1,[s,m])));x=null;if(u)for(var x=this.vwr.ms.getModelBS(q,!1),r=Array(x.cardinality()),w=0,D=x.nextSetBit(0);0<=D;D=x.nextSetBit(D+1),w++)r[w]=this.vwr.getModelUndeletedAtomsBitSet(D);else x=JU.BSUtil.newAndSetBit(0),r=E(-1,[q]);for(var B=0,D=x.nextSetBit(0);B<r.length;B++,D=x.nextSetBit(D+1)){var q=r[B],G=Q(2,0);if(u&&v&&0==B)t=q;else{var y=
null,I=new JU.Lst,O=null,M=u?new JU.Lst:n;if(!U)for(w=0;w<n.size();++w){var H=n.get(w);u&&M.addLast(H=E(-1,[JU.BSUtil.copy(H[0]),H[1]]));H[0].and(q)}var F=null,L=null;if(K){null!=z&&(M.clear(),M.addLast(E(-1,[s,z])));try{O=this.vwr.getCenterAndPoints(M,!j)}catch(S){if(P(S,Exception))this.invArg();else throw S;}if(!j){y=O[0].length-1;for(w=1;w<=y;w++){I=O[0][w];H=O[1][w];if(!N(I,"JM.Atom")||!N(H,"JM.Atom"))break;u||JU.Logger.info(" atom 1 "+I.getInfo()+"\tatom 2 "+H.getInfo())}y=JU.Measure.calculateQuaternionRotation(O,
G);w=Float.isNaN(G[1])?NaN:Math.round(100*G[0])/100;G=Float.isNaN(G[1])?NaN:Math.round(100*G[1])/100;this.showString("RMSD "+w+" --\x3e "+G+" Angstroms")}}else if(c){if(null==R)for(w=0;w<M.size();w++){H=M.get(w);h=this.vwr.getAtomGroupQuaternions(H[0],2147483647);g=this.vwr.getAtomGroupQuaternions(H[1],2147483647);for(y=0;y<h.length&&y<g.length;y++)I.addLast(g[y].div(h[y]))}else for(y=0;y<h.length&&y<g.length;y++)I.addLast(g[y].div(h[y]));G[0]=0;h=I.toArray(Array(I.size()));y=JU.Quat.sphereMean(h,
G,1E-4);this.showString("RMSD = "+G[0]+" degrees")}else{w=new JU.M4;F=new JU.P3;if(null!=q&&null!=k&&("H".equals(k)||"*".equals(k)||"".equals(k)))try{k=this.vwr.getSmilesOpt(null==s?q:s,-1,-1,32768|("H".equals(k)?4096:0),null)}catch(V){if(P(V,Exception))a.evalError(V.getMessage(),null);else throw V;}if(d){var T;if(null==q||null==t||null==(T=a.getSmilesExt().getFlexFitList(q,t,k,!p)))break;this.vwr.setDihedrals(T,null,1)}v?(G=JU.BS.copy(s),G.and(q),I=JU.BS.copy(m),I.and(t),G=a.getSmilesExt().mapPolyhedra(G.nextSetBit(0),
I.nextSetBit(0),p,w)):(this.showString("COMPARE using "+(p?"SMILES ":"SMARTS ")+k),H=new JU.Lst,G=new JU.Lst,G=a.getSmilesExt().getSmilesCorrelation(null==s?q:s,null==m?t:m,k,H,G,w,null,!1,null,F,!1,32|(p?1:2)));if(Float.isNaN(G)){this.showString("structures do not match from "+q+" to "+t);break}f&&(L=new JU.V3,w.getTranslation(L));b&&(y=new JU.M3,w.getRotationScale(y),y=JU.Quat.newM(y));this.showString("RMSD = "+G+" Angstroms");u&&(w=this.vwr.getV0abc(D,E(-1,[w])),null!=w&&this.vwr.ms.setModelCagePts(D,
w,null))}null!=O&&(F=O[0][0]);null==F&&(O=this.vwr.getCenterAndPoints(M,!0),F=O[0][0]);M=new JU.P3;I=NaN;if(j)I=1E10;else if(f&&(null==L&&(L=JU.V3.newVsub(O[1][0],F)),I=1E10),b&&(null==y&&a.evalError("option not implemented",null),M.add2(F,y.getNormal()),I=y.getTheta(),0==I&&f))if(0.01<L.length())I=1E10;else if(u)continue;else b=f=e=!1;if(!Float.isNaN(I)&&!Float.isNaN(M.x)){G=null;if(j){G=new JU.Lst;y=O[0].length;for(w=0;w<y;w++)G.addLast(O[1][w])}else b&&(f&&0!=l)&&(H=this.vwr.ms.getAtomPointVector(q),
w=JS.ScriptMathProcessor.getMatrix4f(y.getMatrix(),L),G=JS.ScriptParam.transformPoints(H,w,F));a.useThreads(!0)||(e=!1);if(this.vwr.rotateAboutPointsInternal(a,F,M,I/l,I,e,q,L,G,null,null,null,!1,O)&&e&&a.isJS)throw new JS.ScriptInterruption(a,"compare",1);}}}}});k(p,"configuration",function(){var a=null,c=this.chk?null:this.vwr.bsA();if(1==this.slen){if(this.chk)return;a=this.vwr.ms.setConformation(c);this.vwr.ms.addStateScript("select",null,c,null,";configuration",!0,!1)}else{var c=-2147483648,
b=null;4==this.tokAt(1)?c=-1E3-(this.stringParameter(this.e.checkLast(1))+" ").codePointAt(0):2==this.tokAt(1)?c=this.intParameter(this.e.checkLast(1)):(b=a=this.atomExpressionAt(1),c=4==this.tokAt(this.e.iToken)?-1E3-(this.stringParameter(this.e.checkLast(this.e.iToken+1))+" ").codePointAt(0):this.intParameter(this.e.checkLast(this.e.iToken+1)));if(this.chk)return;this.vwr.addStateScript("configuration "+(null==b?"":JU.Escape.eBS(a)+" ")+c+";",!0,!1);a=this.vwr.ms.getConformation(this.vwr.am.cmi,
c,!0,b)}this.setShapeProperty(1,"type",Integer.$valueOf(30720));this.e.setShapeSizeBs(1,0,a);this.vwr.autoHbond(a,a,!0);this.vwr.selectStatus(a,!1,0,!this.e.doReport(),!1)});k(p,"measure",function(){var a=this.e,c=null,b=0,f=null;if(2==this.slen)switch(this.tokAt(1)){case 1073742334:this.setShapeProperty(6,"hideAll",Boolean.TRUE);return;case 12291:this.chk||this.vwr.clearAllMeasurements();return;case 1113589787:this.chk||this.showMeasureCount(!0);return}this.vwr.shm.loadShape(6);switch(this.tokAt(1)){case 134218756:var e=
this.stringParameter(3==this.slen?2:4);if(this.chk)return;var d=this.vwr.ms.at,j=this.vwr.ms.ac,c=null;try{c=this.vwr.getSmilesMatcher().getCorrelationMaps(e,d,j,this.vwr.bsA(),2)}catch(h){if(P(h,Exception))a.evalError(h.getMessage(),null);else throw h;}if(null==c)return;this.setShapeProperty(6,"maps",c);return}switch(this.slen){case 2:switch(this.getToken(1).tok){case 0:case 1073742335:this.vwr.shm.loadShape(6);this.setShapeProperty(6,"hideAll",Boolean.FALSE);return;case 1073742001:this.chk||a.showStringPrint(this.vwr.getMeasurementInfoAsString(),
!1);return;case 4:this.setShapeProperty(6,"setFormats",this.stringParameter(1));return}a.errorStr(24,"ON, OFF, DELETE");break;case 3:switch(this.getToken(1).tok){case 12291:if(1073742327==this.getToken(2).tok)this.chk||this.vwr.clearAllMeasurements();else{var g=this.intParameter(2)-1;this.chk||this.vwr.deleteMeasurement(g)}return}}for(var s=0,m=0,n=-1,k=-1,l=-1,p=L(5,0),q=Q(-1,[3.4028235E38,3.4028235E38]),t=!1,r=!1,A=!1,v=!0,C=!1,u=null,x=null,e=268438018,E=d=null,U=j=null,w=new JU.Lst,C=new JU.BS,
D=null,B=null,G=null,y=0,I=0,O=NaN,M=null,g=1;g<this.slen;++g)switch(this.getToken(g).tok){default:this.error(15);break;case 1073741974:1!=g&&this.invArg();c=a.optParameterAsString(++g);continue;case 1073741824:a.errorStr(24,"ALL, ALLCONNECTED, DELETE");break;case 1275082241:e=1275082241;if(1073742327==this.tokAt(g+1)&&this.slen==g+2){this.chk||(this.vwr.setShapeProperty(6,"selectall",null),this.showMeasureCount(!0));return}break;case 1113589787:(0<w.size()||0<y||null!=c)&&this.invArg();e=1275082241;
if(this.chk)D=new JU.BS;else if(D=this.vwr.getShapeProperty(6,"selected"),0==D.cardinality())return;t=!0;break;case 268439040:134217736!=this.tokAt(g+1)&&this.invArg();g++;A=!0;break;case 1073741832:M=this.paramAsStr(++g).toLowerCase();break;case 134217736:case 1073741834:case 1073742327:r=1073741834==a.theTok;k=-1;t=!0;r&&A&&this.invArg();break;case 1765808134:b=JU.C.getColix(a.getArgbParam(++g));g=a.iToken;break;case 1073742066:a.isPoint3f(++g)?(f=this.getPoint3f(g,!1),f=Q(-1,[1,f.x,f.y,f.z,0,0,
0])):f=a.floatParameterSet(g,7,7);g=a.iToken;break;case 1665140738:case 1073741917:I=F((1665140738==a.theTok?2E3:1E3)*this.floatParameter(++g));null!=c&&0>=I&&(I=-1);break;case 3:null!=u&&this.invArg();v=t=!0;l=(l+1)%2;q[l]=this.floatParameter(g);break;case 12291:268438018!=e&&1275082241!=e&&this.invArg();e=12291;break;case 4114:var H=this.floatParameter(++g),S=this.paramAsStr(++g),T=this.paramAsStr(++g);this.chk||(U=this.vwr.getFont3D(S,T,H));break;case 2:H=this.intParameter(g);if(t)v=!0,l=(l+1)%
2,q[l]=H;else{k=this.vwr.ms.getFirstAtomIndexFromAtomNumber(H,this.vwr.getVisibleFramesBitSet());if(!this.chk&&0>k)return;null!=B&&this.invArg();4<(p[0]=++s)&&a.bad();p[s]=k}break;case 1094713359:n=this.intParameter(++g);break;case 1073742334:268438018!=e&&this.invArg();e=1073742334;break;case 1073742335:268438018!=e&&this.invArg();e=1073742335;break;case 1073742114:v=t=!0;k=-1;break;case 1073741989:case 1073741990:x=Boolean.$valueOf(1073741989==a.theTok);t=!0;A=1073741990==a.theTok;break;case 1648363544:0<=
l&&this.invArg();u=a.encodeRadiusParameter(g,!1,!0);if(null==u)return;u.values=q;g=a.iToken;t=A=!0;x=Boolean.$valueOf(!1);1==y&&(y++,s++,H=JU.BSUtil.copy(C),JU.BSUtil.invertInPlace(H,this.vwr.ms.ac),H.and(this.vwr.ms.getAtomsWithinRadius(5,C,!1,null,null)),w.addLast(H));break;case 12290:case 10:case 1073742325:y++;case 1073742332:case 8:case 1073742330:(0<=k||null!=D)&&this.invArg();s=Array(1);B=a.centerParameter(g,s);if(N(s[0],"JU.BS")&&(B=C=s[0],!this.chk&&0==C.length()))return;N(B,"JU.P3")&&(s=
new JU.Point3fi,s.setT(B),s.mi=n,B=s);4<(s=++m)&&a.bad();g=a.iToken;w.addLast(B);break;case 1715472409:E=this.paramAsStr(g);break;case 1073742188:O=this.floatParameter(++g);break;case 4:H=this.stringParameter(g);JM.Measurement.isUnits(H)||H.equals("default")?j=H:d=H;break;case 1073742164:G=a.tickParamAsStr(g,!1,!0,!0),g=a.iToken,e=12290}(null!=u&&(0<=l||2!=s)||1275082241!=e&&null==D&&2>s&&null==c&&(null==G||1==s))&&a.bad();null!=d&&0!=d.indexOf(s+":")&&(d=s+":"+d);v&&q[1]<q[0]&&(q[1]=q[0],q[0]=3.4028235E38==
q[1]?3.4028235E38:-200);if(!this.chk)if(C=null!=c&&null==B&&268438018==e,null!=B||null!=D||null!=G||C){null==u&&(u=new J.atomdata.RadiusData(q,0,null,null));null!=G&&(G.id="default");if(C)e=266284;else if(null!=B&&(null!=E||null!=d)&&268438018==e)e=12290;a=null;if(null!=U||null!=M||0!=b||null!=d&&(C||0<=d.indexOf("\n")))a=JM.Text.newMeasure(this.vwr,U,b);null!=a&&(a.pymolOffset=f,a.setAlignmentLCR(M));this.setShapeProperty(6,"measure",this.vwr.newMeasurementData(c,w).set(e,null,u,E,d,j,G,r,A,x,t,
I,b,a,O,D));1275082241==e&&this.showMeasureCount(!1)}else switch(a=null==c?p:c,e){case 12291:this.setShapeProperty(6,"delete",a);break;case 1073742335:this.setShapeProperty(6,"show",a);break;case 1073742334:this.setShapeProperty(6,"hide",a);break;default:this.setShapeProperty(6,null==d&&null==j?"toggle":"toggleOn",a),null!=d&&this.setShapeProperty(6,"setFormats",d)}});k(p,"showMeasureCount",function(a){var c=this.vwr.getShapeProperty(6,"selected"),b=c.cardinality();if(a)for(a=c.nextSetBit(0);0<=a;a=
c.nextSetBit(a+1))this.showString(this.vwr.shm.getShape(6).getInfoAsString(a));this.showString(b+(1==b?" measure":" measures")+" selected")},"~B");k(p,"connect",function(a){var c=this.e,b=Q(2,0),f=Array(2);f[0]=f[1]=this.vwr.bsA();var e=NaN,d=L(-1,[-2147483648]),j=0,h=131071,g=1073742026,s=!1,m=!1,n=!1,k=3.4028235E38,l=!1,p=0,q=0,t=new JU.BS,r=!1,A=0,v=0,C=0,u=!1;if(1==this.slen)this.chk||this.vwr.rebondState(c.$isStateScript);else if(1073877011==this.tokAt(1))this.chk||this.vwr.connectNBO(this.e.optParameterAsString(2));
else{for(;a<this.slen;++a){switch(this.getToken(a).tok){case 1073742335:case 1073742334:this.checkLength(2);this.chk||this.vwr.rebondState(c.$isStateScript);return;case 2:case 3:if(0<p){(m||l)&&c.error(23);h=JU.Edge.getBondOrderFromFloat(this.floatParameter(a));131071==h&&this.invArg();m=!0;break}2<++q&&c.bad();var x=this.floatParameter(a);268441090==this.tokAt(a+1)&&(x=-x/100,a++);b[j++]=x;break;case 12290:case 10:case 1073742325:(2<p||r&&0<p)&&c.bad();(m||l)&&this.invArg();f[p++]=this.atomExpressionAt(a);
r=c.isBondSet;if(2==p){for(var x=c.iToken,K=a;K<x;K++)if(1073741824==this.tokAt(K)&&this.paramAsStr(K).equals("_1")){A=a;break}c.iToken=x}a=c.iToken;break;case 1086324742:u=!0;break;case 1765808134:case 1111490588:case 1073742074:l=!0;k=this.getColorTrans(c,a,!1,d);a=c.iToken;break;case 1073742086:d=1073741852==this.tokAt(2);this.checkLength(d?3:2);if(this.chk)return;this.vwr.clearModelDependentObjects();this.vwr.ms.deleteAllBonds();e=new JU.BS;this.vwr.ms.setPdbConectBonding(0,0,e);if(d){c=c.$isStateScript&&
this.vwr.getBoolean(603979872);this.vwr.ms.autoBondBs4(null,null,e,null,this.vwr.getMadBond(),c,null);this.vwr.addStateScript(c?"set legacyAutoBonding TRUE;connect PDB AUTO;set legacyAutoBonding FALSE;":"connect PDB auto;",!1,!0);return}this.vwr.addStateScript("connect PDB;",!1,!0);return;case 1073741852:case 1073741904:case 1073742025:case 1073742026:n=!0;++a!=this.slen&&this.invArg();g=c.theTok;1073741852==g&&!(131071==h||2048==h||515==h)&&this.invArg();break;case 659482:l||(d[0]=16777215,k=0.5,
e=this.vwr.getFloat(570425406),l=!0),n||(g=1073742026,n=!0);case 1073741824:if(c.isColorParam(a)){v=-a;break}case 1075838996:case 1613238294:h=this.paramAsStr(a);131071==(h=JU.Edge.getBondOrderFromString(h))&&this.invArg();m&&c.error(18);m=!0;switch(h){case 33:switch(this.tokAt(a+1)){case 3:h=JU.Edge.getPartialBondOrderFromFloatEncodedInt(this.st[++a].intValue);break;case 2:h=this.intParameter(++a)}break;case 2048:2==this.tokAt(a+1)&&(h=this.intParameter(++a)<<11,C=this.floatParameter(++a));break;
case 65537:n||(g=1073742025,n=!0)}break;case 1665140738:e=this.floatParameter(++a);l=!0;break;case 1073742333:++a!=this.slen&&this.invArg();case 12291:g=12291;s=!0;l=!1;break;default:v=a}0<a&&(v==-a||v==a&&c.isColorParam(a)?(l=!0,d[0]=c.getArgbParam(a),a=c.iToken):v==a&&this.invArg())}if(!this.chk){2>j&&(0==j&&(b[0]=1E8),b[1]=b[0],b[0]=0.1);l&&(m||(h=65535),n||(g=1073742025));m=j=0;if(0<A){C=new JU.BS;this.vwr.definedAtomSets.put("_1",C);u=f[0];for(n=u.nextSetBit(0);0<=n;n=u.nextSetBit(n+1))C.set(n),
f=this.vwr.makeConnections(b[0],b[1],h,g,C,this.atomExpressionAt(A),t,r,!1,0),j+=Math.abs(f[0]),m+=f[1],C.clear(n)}else f=this.vwr.makeConnections(b[0],b[1],h,g,f[0],f[1],t,r,u,C),j+=Math.abs(f[0]),m+=f[1];b=c.doReport();s?b&&c.report(J.i18n.GT.i(J.i18n.GT.$("{0} connections deleted"),m),!1):(l&&(this.vwr.selectBonds(t),Float.isNaN(e)||c.setShapeSizeBs(1,Math.round(2E3*e),null),this.finalizeObject(1,d[0],k,0,!1,null,0,t),this.vwr.selectBonds(null)),b&&c.report(J.i18n.GT.o(J.i18n.GT.$("{0} new bonds; {1} modified"),
E(-1,[Integer.$valueOf(j),Integer.$valueOf(m)])),!1))}}},"~N");k(p,"console",function(){switch(this.getToken(1).tok){case 1073742334:this.chk||this.vwr.showConsole(!1);break;case 1073742335:this.chk||this.vwr.showConsole(!0);break;case 1073741882:this.chk||this.vwr.sm.clearConsole();break;case 134221856:this.showString(this.stringParameter(2));break;default:this.invArg()}});k(p,"data",function(){var a=this.e,c=null,b=null,f=!1,e;switch(a.iToken=this.slen){case 5:c=this.paramAsStr(2);case 4:case 2:b=
this.paramAsStr(1);if(b.equalsIgnoreCase("clear")){this.chk||this.vwr.setData(null,null,0,0,0,0,0);return}if(0<=(e=b.indexOf("@")))c=""+a.getParameter(b.substring(e+1),4,!0),b=b.substring(0,e).trim();else if(null==c&&0<=(e=b.indexOf(" ")))c=b.substring(e+1).trim(),b=b.substring(0,e).trim(),f=!0;break;default:a.bad()}e=b.substring(0,(b+" ").indexOf(" ")).toLowerCase();if(e.equals("model")||e.equals("append"))a.cmdLoad();else if(!this.chk){var d=0<=b.toLowerCase().indexOf("(default)");if(e.equals("connect_atoms"))this.vwr.ms.connect(this.parseDataArray(c,
!1));else if(0==e.indexOf("ligand_"))this.vwr.setLigandModel(b.substring(7).toUpperCase()+"_data",c.trim());else if(0==e.indexOf("file_"))this.vwr.setLigandModel(b.substring(5)+"_file",c.trim());else if(a=Array(4),e.equals("element_vdw")){a[0]=e;a[1]=c.$replace(";","\n");c=JU.Elements.elementNumberMax;e=L(c+1,0);for(d=1;d<=c;d++)e[d]=d;a[2]=e;a[3]=Integer.$valueOf(0);this.vwr.setData("element_vdw",a,c,0,0,0,0)}else if(0==e.indexOf("data2d_"))a[0]=b,a[1]=this.parseDataArray(c,!1),a[3]=Integer.$valueOf(2),
this.vwr.setData(b,a,0,0,0,0,0);else if(0==e.indexOf("data3d_"))a[0]=b,a[1]=this.parseDataArray(c,!0),a[3]=Integer.$valueOf(3),this.vwr.setData(b,a,0,0,0,0,0);else{var j=JU.PT.getTokens(b);if(0==e.indexOf("property_")&&!(2==j.length&&j[1].equals("set"))){d=this.vwr.bsA();a[0]=e;var h=f?0:this.vwr.getP("propertyAtomNumberField").intValue(),g=f?0:this.vwr.getP("propertyAtomNumberColumnCount").intValue(),s=f?-2147483648:this.vwr.getP("propertyDataField").intValue(),m=f?0:this.vwr.getP("propertyDataColumnCount").intValue();
!f&&0<=b.indexOf(" ")&&(3==j.length&&(h=JU.PT.parseInt(j[1]),s=JU.PT.parseInt(j[2])),5==j.length&&(h=JU.PT.parseInt(j[1]),g=JU.PT.parseInt(j[2]),s=JU.PT.parseInt(j[3]),m=JU.PT.parseInt(j[4])));0>h&&(h=0);0>s&&(s=0);b=this.vwr.ms.ac;f=null;j=JU.BS.newN(b);if(0<h){for(var f=L(b+2,0),n=0;n<=b;n++)f[n]=-1;for(n=d.nextSetBit(0);0<=n;n=d.nextSetBit(n+1)){var k=this.vwr.ms.at[n].getAtomNumber();k>b+1||(0>k||j.get(k))||(j.set(k),f[k]=n)}a[2]=f}else a[2]=JU.BSUtil.copy(d);a[1]=c;a[3]=Integer.$valueOf(0);this.vwr.setData(e,
a,b,h,g,s,m)}else"occupany".equals(e)&&(e="occupancy"),h=JM.AtomCollection.getUserSettableType(e),-1<h?this.vwr.setAtomData(h,e,c,d):(a[0]=b,a[1]=c,a[3]=Integer.$valueOf(0),this.vwr.setData(e,a,0,0,0,0,0))}}});k(p,"ellipsoid",function(){var a=this.e,c=0,b=1,f=3.4028235E38,e=!1,d=!1;this.setShapeProperty(20,"thisID",null);switch(this.getToken(1).tok){case 1073742335:c=2147483647;break;case 1073742334:break;case 2:c=this.intParameter(1);break;case 36867:this.e.sm.loadShape(20);this.setShapeProperty(20,
"select",this.paramAsStr(2));b=a.iToken;d=e=!0;break;case 1073741974:case 268441089:case 1073741824:this.e.sm.loadShape(20);1073741974==a.theTok&&b++;this.setShapeId(20,b,!1);b=a.iToken;e=!0;break;default:this.invArg()}if(e){for(c=L(-1,[-2147483648]);++b<this.slen;){var e=this.paramAsStr(b),j=null;this.getToken(b);if(!d)switch(a.theTok){case 1073742330:e="points";j=Array(3);j[0]=a.objectNameParameter(++b);if(this.chk)continue;a.getShapePropertyData(24,"getVertices",j);break;case 1825200146:j=this.e.optParameterAsString(++b);
if(0==j.length)continue;break;case 1611272194:var j=Array(3),h=null;switch(this.getToken(b+1).tok){case 11:for(var b=a.theToken.value,g=3;0<=--g;)b.getColumnV(g,j[g]=new JU.V3);break;case 1073742195:b+=2;case 268437504:h=new JU.Lst;for(g=3;0<=--g;){switch(this.tokAt(++b)){case 268437504:break;default:a.isCenterParameter(b)?h.addLast(JS.SV.newV(8,this.centerParameter(b))):268437504!=this.tokAt(b)&&h.addLast(this.getToken(b))}b=a.iToken}268437505!=this.getToken(++b).tok&&this.invArg();break;case 7:h=
a.theToken.getList();switch(h.size()){case 1:h=new JU.Lst;for(g=3;0<=--g;)h.addLast(this.getToken(++b));break;case 3:break;default:this.invArg()}break;default:for(g=0;3>g;g++)j[g]=new JU.V3,j[g].setT(this.centerParameter(++b)),b=a.iToken}if(null!=h)for(b=3;0<=--b;)switch(g=h.get(b),g.tok){case 7:j[b]=JU.V3.new3(JS.SV.fValue(g.getList().get(0)),JS.SV.fValue(g.getList().get(1)),JS.SV.fValue(g.getList().get(2)));break;case 8:j[b]=JU.V3.newV(g.value)}b=a.iToken;break;case 12289:j=this.centerParameter(++b);
b=a.iToken;break;case 1094713359:j=Integer.$valueOf(this.intParameter(++b));break;case 12291:j=Boolean.TRUE,this.checkLength(b+1)}if(null==j)switch(a.theTok){case 1073742335:e="on";j=Boolean.TRUE;break;case 1073742334:e="on";j=Boolean.FALSE;break;case 536875059:this.isFloatParameter(b+1)?j=Float.$valueOf(this.floatParameter(++b)):a.isCenterParameter(b)?(b=this.centerParameter(b),j=Q(-1,[b.x,b.y,b.z])):j=a.floatParameterSet(++b,3,3);b=a.iToken;break;case 12290:case 10:case 1073742325:e="atoms";j=this.atomExpressionAt(b);
b=a.iToken;break;case 1765808134:case 1111490588:case 1073742074:f=this.getColorTrans(a,b,!0,c);b=a.iToken;continue;case 1073742075:j=this.paramAsStr(++b)}null==j&&this.invArg();this.setShapeProperty(20,e.toLowerCase(),j)}this.finalizeObject(20,c[0],f,0,!1,null,0,null);this.setShapeProperty(20,"thisID",null)}else a.setShapeSizeBs(20,c,null)});k(p,"image",function(){this.chk||this.vwr.getConsole();var a=1,c=null;1073741974==this.tokAt(1)&&(c=this.e.optParameterAsString(++a),a++);var b=this.e.optParameterAsString(a),
f=this.e.optParameterAsString(this.slen-1).equalsIgnoreCase("close");if(!f&&(this.slen==a||this.slen==a+2))b=this.slen==a+2?this.intParameter(a++):-1,a=0>b?-1:this.intParameter(a),f=new java.util.Hashtable,f.put("fileName","\u0001\u0001"+c),f.put("backgroundColor",Integer.$valueOf(this.vwr.getBackgroundArgb())),f.put("type","png"),f.put("quality",Integer.$valueOf(-1)),f.put("width",Integer.$valueOf(b)),f.put("height",Integer.$valueOf(a)),this.chk||this.vwr.processWriteOrCapture(f);else{if(f)switch(this.slen){case 2:b=
"closeall";break;case 3:case 4:break;default:this.checkLength(0)}this.chk||this.vwr.fm.loadImage(f?"\u0001close":b,"\u0001"+b+"\u0001"+("".equals(c)||null==c?null:c),!1)}});k(p,"invertSelected",function(){var a=this.e,c=null,b=null,f=null,e=-2147483648,d=1;switch(this.tokAt(1)){case 0:if(this.chk)return;f=this.vwr.bsA();c=this.vwr.ms.getAtomSetCenter(f);this.vwr.invertAtomCoord(c,null,f,-1,!1);return;case 528443:case 1153433601:d++;case 10:case 1073742325:case 12290:f=this.atomExpressionAt(d);if(!a.isAtomExpression(a.iToken+
1)){a.checkLengthErrorPt(a.iToken+1,a.iToken+1);if(!this.chk)for(a=f.nextSetBit(0);0<=a;a=f.nextSetBit(a+1))this.vwr.invertAtomCoord(null,null,f,a,!1);return}e=f.nextSetBit(0);f=this.atomExpressionAt(a.iToken+1);break;case 134217751:c=a.centerParameter(2,null);break;case 134217750:b=a.planeParameter(1,!1);break;case 134219777:b=a.hklParameter(2,null,!0)}a.checkLengthErrorPt(a.iToken+1,1);null==b&&(null==c&&-2147483648==e)&&this.invArg();this.chk||-1!=e&&this.vwr.invertSelected(c,b,e,f)});k(p,"mapProperty",
function(){for(var a,c,b,f,e,d=0,j=0,h=0,g=this.e;;){if(1113589787==this.tokAt(1))a=this.vwr.bsA(),c=this.atomExpressionAt(2),b=f="selected";else{a=this.atomExpressionAt(1);if(1073742336!=this.tokAt(++g.iToken)||!JS.T.tokAttr(d=this.tokAt(++g.iToken),1077936128))break;b=this.paramAsStr(g.iToken);c=this.atomExpressionAt(++g.iToken);if(1073742336!=this.tokAt(++g.iToken)||!JS.T.tokAttr(j=this.tokAt(++g.iToken),2048))break;f=this.paramAsStr(g.iToken)}e=JS.T.tokAttr(h=this.tokAt(g.iToken+1),1077936128)?
this.paramAsStr(++g.iToken):JS.T.nameOf(h=1094715393);g.checkLast(g.iToken);if(this.chk)return;var s=null;this.showString("mapping "+b.toUpperCase()+" for "+a.cardinality()+" atoms to "+f.toUpperCase()+" for "+c.cardinality()+" atoms using "+e.toUpperCase());if(JS.T.tokAttrOr(d,1094713344,1111490560)&&JS.T.tokAttrOr(j,1094713344,1111490560)&&JS.T.tokAttrOr(h,1094713344,1111490560)){var m=this.getBitsetPropertyFloat(a,d|224,null,NaN,NaN),n=this.getBitsetPropertyFloat(a,h|224,null,NaN,NaN),d=this.getBitsetPropertyFloat(c,
h|224,null,NaN,NaN),k=1715472409==j,l=Q(k?this.vwr.ms.ac:d.length,0),s=new JU.BS;if(m.length==n.length){for(var p=new java.util.Hashtable,h=0;h<m.length;h++)p.put(Float.$valueOf(n[h]),Float.$valueOf(m[h]));m=-1;for(h=n=0;h<d.length;h++){var m=c.nextSetBit(m+1),q=p.get(Float.$valueOf(d[h]));null!=q&&(s.set(m),l[k?m:n]=q.floatValue(),n++)}k?this.vwr.setData(f,E(-1,[f,l,s,Integer.$valueOf(1),Boolean.TRUE]),this.vwr.ms.ac,0,0,2147483647,0):JS.T.tokAttr(j,2048)?this.vwr.setAtomProperty(s,j,0,0,null,l,
null):this.error(56)}}if(null==s){b=this.getBitsetIdent(a,"{"+e+"=%["+e+"]}."+f+" = %["+b+"]",null,!1,2147483647,!1);a=new JU.SB;for(h=0;h<b.length;h++)0>b[h].indexOf("null")&&a.append(b[h]).appendC("\n");JU.Logger.debugging&&JU.Logger.debug(a.toString());b=JU.BSUtil.copy(this.vwr.slm.bsSubset);this.vwr.slm.setSelectionSubset(c);try{g.runScript(a.toString())}catch(t){if(P(t,Exception))c=t,this.vwr.slm.setSelectionSubset(b),g.errorStr(-1,"Error: "+c.getMessage());else if(P(t,Error))c=t,this.vwr.slm.setSelectionSubset(b),
g.errorStr(-1,"Error: "+c.toString());else throw t;}this.vwr.slm.setSelectionSubset(b)}this.showString("DONE");return}this.invArg()});k(p,"minimize",function(a){for(var c=null,b=2147483647,f=0,e=!1,d=!1,j=null,h=!1,g=!1,s=this.vwr.getMinimizer(!1),m=0,n=a?2:1;n<this.slen;n++)switch(this.getToken(n).tok){case 1073741905:f=this.floatParameter(++n);continue;case 1073742114:m=this.floatParameter(++n);continue;case 1073741935:b=0;continue;case 1073741874:case 1073742162:this.checkLength(2);if(this.chk||
null==s)return;s.setProperty(this.paramAsStr(n),null);return;case 1073741882:this.checkLength(2);if(this.chk||null==s)return;s.setProperty("clear",null);return;case 1073741894:1!=n&&this.invArg();c=a=0;b=L(5,0);if(1073741882==this.tokAt(++n))this.checkLength(3);else{for(;4>a&&!this.isFloatParameter(n);)b[++a]=this.atomExpressionAt(n).nextSetBit(0),n=this.e.iToken+1;b[0]=a;1==a&&this.invArg();c=this.floatParameter(this.e.checkLast(n))}this.chk||this.vwr.getMinimizer(!0).setProperty("constraint",E(-1,
[b,Float.$valueOf(c)]));return;case 12293:1!=n&&this.invArg();if(this.slen==++n){this.chk||(n=this.vwr.getMinimizer(!0).getProperty("fixed",0),null==n?this.e.showString("no atoms are fixed for minimization"):(a=n.cardinality(),this.e.showString(a+(1==a?" atom is":" atoms are")+" fixed for minimization: "+n+"\nunfix them with MINIMIZE FIX NONE")));return}j=this.atomExpressionAt(n);0>j.nextSetBit(0)&&(j=null);n=this.e.iToken;this.chk||this.vwr.getMinimizer(!0).setProperty("fixed",j);if(n+1==this.slen)return;
continue;case 1073741828:e=!0;continue;case 1073742072:case 1113589787:h=!0;break;case 1086324742:g=!0;break;case 1073742148:d=!0;break;case 266298:b=this.intParameter(++n);continue;case 10:case 1073742325:h=!0;case 1275082241:1275082241==this.e.theTok&&n++;c=this.atomExpressionAt(n);n=this.e.iToken;1073742072==this.tokAt(n+1)&&(n++,h=!0);continue;default:this.invArg()}a&&(e||h||g)&&this.invArg();if(!this.chk)try{this.vwr.minimize(this.e,b,f,c,j,null,m,(e?16:0)|(a?256:0)|(h?32:0)|(g?64:0)|(d?1:0))}catch(k){if(P(k,
Exception))throw new JS.ScriptInterruption(this.e,"minimize",1);throw k;}},"~B");k(p,"modulation",function(){var a=null,c=this.e,b=!0,f=!1,e=null,d=1;switch(this.getToken(d).tok){case 1073742334:b=!1;case 0:case 1073742335:break;case 12290:case 10:case 1073742325:e=this.atomExpressionAt(1);switch(this.tokAt(c.iToken+1)){case 1073742334:b=!1;case 1073742335:c.iToken++}c.checkLast(c.iToken);break;case 1073742332:case 8:a=c.getPoint3f(1,!1,!0);f=1073742335==this.tokAt(c.iToken+1);break;default:var j=
c.theToken.value.toString();d++;j.equalsIgnoreCase("t")?c.theTok=3:j.equalsIgnoreCase("m")||j.equalsIgnoreCase("q")?c.theTok=2:this.invArg();case 3:case 2:switch(c.theTok){case 3:this.isFloatParameter(d)?(a=this.floatParameter(d),a=JU.P3.new3(a,a,a)):a=c.getPoint3f(d,!1,!0);break;case 2:2==this.tokAt(d)?(f=this.intParameter(d),a=JU.P3.new3(f,f,f)):a=c.getPoint3f(d,!1,!0),f=!0}break;case 536875059:b=this.floatParameter(2);this.chk||this.vwr.setFloatProperty("modulationScale",b);return}this.chk||(this.vwr.tm.setVibrationPeriod(0),
this.vwr.setModulation(e,b,a,f))});k(p,"mutate",function(){var a=this.e.iToken,c,b=null,f=null,e=null,d=!1;switch(this.tokAt(++a)){case 1073741904:b="alpha";d=!0;c=null;switch(this.tokAt(++a)){case 0:this.invArg();break;default:switch(f=this.e.paramAsStr(a),a=this.e.iToken,this.tokAt(a+1)){case 0:break;case 268437504:case 1073742195:case 7:b=null;e=this.e.floatParameterSet(++a,2,2147483647);1==e.length%2&&this.invArg();a=this.e.iToken;break;default:b=this.e.paramAsStr(++a),a=this.e.iToken}}break;
case 2:this.st[1]=JS.T.o(4,""+this.st[1].value);default:c=this.atomExpressionAt(a);a=++this.e.iToken;break;case 268441089:c=this.vwr.getFrameAtoms(),a=++this.e.iToken}if(!this.chk&&null!=c){c.and(this.vwr.getFrameAtoms());var j=c.nextSetBit(0);0>j&&this.invArg();j=this.vwr.ms.at[j].mi;if(this.vwr.ms.isTrajectory(j)||!this.vwr.ms.am[j].isBioModel)return}null==f&&(f=this.e.optParameterAsString(a));this.e.checkLast(a);if(!this.chk){a=f.startsWith("~");if(!a&&!d&&(0<=f.indexOf(".")||0>f.indexOf("-")&&
3<f.length&&f.startsWith("==")))d=E(-1,[f]),f=null;else if(f=JU.PT.replaceAllCharacters(f,",; \t\n"," ").trim().toUpperCase(),!a&&0<=f.indexOf("-"))d=JU.PT.split(f,"-");else{if(a||3!=f.length||!this.vwr.getJBR().isKnownPDBGroup(f,20))f=this.vwr.getJBR().toStdAmino3(a?f.substring(1):f);d=JU.PT.getTokens(f)}this.e.iToken=this.e.slen;0<d.length&&!this.vwr.getJBR().getBioModelSet(this.vwr.ms).mutate(c,f,d,b,e)&&this.invArg()}});k(p,"navigate",function(){var a=this.e;if(1==this.slen)a.setBooleanProperty("navigationMode",
!0);else{var c=JU.V3.new3(0,1,0),b=new JU.Lst,f;if(2==this.slen)switch(this.getToken(1).tok){case 1073742335:case 1073742334:if(this.chk)return;a.setObjectMad10(34,"axes",10);this.setShapeProperty(34,"position",JU.P3.new3(50,50,3.4028235E38));a.setBooleanProperty("navigationMode",!0);this.vwr.tm.setNavOn(1073742335==a.theTok);return;case 1073742162:this.chk||this.vwr.tm.setNavXYZ(0,0,0);return;case 8:case 1112152078:break;default:this.invArg()}!this.chk&&!this.vwr.getBoolean(603979889)&&a.setBooleanProperty("navigationMode",
!0);for(var e=1;e<this.slen;e++){var d=this.isFloatParameter(e)?this.floatParameter(e++):2;0>d&&this.invArg();!this.chk&&0<d&&a.refresh(!1);switch(this.getToken(e).tok){case 8:case 1073742332:f=this.getPoint3f(e,!0);a.iToken++;a.iToken!=this.slen&&this.invArg();this.chk||this.vwr.tm.setNavXYZ(f.x,f.y,f.z);return;case 554176526:f=this.floatParameter(++e);this.chk||b.addLast(E(-1,[Integer.$valueOf(554176526),Float.$valueOf(d),Float.$valueOf(f)]));continue;case 12289:f=this.centerParameter(++e);e=a.iToken;
this.chk||b.addLast(E(-1,[Integer.$valueOf(134217751),Float.$valueOf(d),f]));continue;case 528432:switch(this.getToken(++e).tok){case 1111492629:c.set(1,0,0);e++;break;case 1111492630:c.set(0,1,0);e++;break;case 1111492631:c.set(0,0,1);e++;break;case 8:case 1073742332:c.setT(this.getPoint3f(e,!0));e=a.iToken+1;break;case 1073741824:this.invArg()}f=this.floatParameter(e);this.chk||b.addLast(E(-1,[Integer.$valueOf(528432),Float.$valueOf(d),c,Float.$valueOf(f)]));continue;case 4160:var j=f=NaN;if(this.isFloatParameter(++e))f=
this.floatParameter(e),j=this.floatParameter(++e);else switch(this.tokAt(e)){case 1111492629:f=this.floatParameter(++e);break;case 1111492630:j=this.floatParameter(++e);break;default:f=this.centerParameter(e);e=a.iToken;this.chk||b.addLast(E(-1,[Integer.$valueOf(4160),Float.$valueOf(d),f]));continue}this.chk||b.addLast(E(-1,[Integer.$valueOf(268441090),Float.$valueOf(d),Float.$valueOf(f),Float.$valueOf(j)]));continue;case 268441088:continue;case 1112152078:f=new JU.Lst;a.isAtomExpression(e+1)?(j=
this.atomExpressionAt(++e),e=a.iToken):j=this.vwr.bsA();if(this.chk)return;this.vwr.getPolymerPointsAndVectors(j,f);var h;if(0<(h=f.size())){for(var j=Array(h),g=0;g<h;g++)j[g]=f.get(g);b.addLast(E(-1,[Integer.$valueOf(1112152078),Float.$valueOf(d),j]));continue}break;case 1073742084:if(1073742330==this.getToken(e+1).tok){e++;f=a.objectNameParameter(++e);if(this.chk)return;this.setShapeProperty(22,"thisID",f);f=this.getShapeProperty(22,"vertices");a.refresh(!1);null==f&&this.invArg();j=F(this.isFloatParameter(e+
1)?this.floatParameter(++e):0);h=F(this.isFloatParameter(e+1)?this.floatParameter(++e):2147483647);b.addLast(E(-1,[Integer.$valueOf(1073742084),Float.$valueOf(d),f,null,L(-1,[j,h])]));continue}for(f=new JU.Lst;a.isCenterParameter(e+1);)f.addLast(this.centerParameter(++e)),e=a.iToken;if(0<f.size()){f=f.toArray(Array(f.size()));this.chk||b.addLast(E(-1,[Integer.$valueOf(1073742084),Float.$valueOf(d),f,null,L(-1,[0,2147483647])]));continue}default:this.invArg()}}!this.chk&&(!this.vwr.isJmolDataFrame()&&
!this.vwr.is2D())&&this.vwr.tm.navigateList(a,b)}});k(p,"plot",function(a){var c=this.e,b=this.vwr.am.cmi;0>b&&c.errorStr(30,"plot");var b=this.vwr.ms.getJmolDataSourceFrame(b),f=a.length-1,e=a!==this.st,d=!0,j=this.st;e&&(c.st=this.st=a);var h=e?134222350:a[0].tok,g=e||134221850==h||4138==h?0:1,s=null,m=!0,n=!1;switch(h){case 135176:m=!1;n=!0;break;case 134222350:d=m=!1;break;case 134221856:m=!1,4==JS.CmdExt.tokAtArray(f,a)?s=this.stringParameter(f--):1073742336==JS.CmdExt.tokAtArray(f-1,a)?(s=this.paramAsStr(f-
2)+"."+this.paramAsStr(f),f-=3):(c.st=this.st=j,c.iToken=this.st.length,this.error(13)),c.slen=this.slen=f+1}var e="",k=null,l="",p=!1,q=!1,t=!1,r=!1,A=Array(3),v=L(3,0),C=JU.BSUtil.copy(this.vwr.bsA()),u="; select "+JU.Escape.eBS(C)+";\n ",r=c.optParameterAsString(f).toLowerCase(),x=null,K=null,F=null,w=JS.CmdExt.tokAtArray(g,a);4==w&&(w=JS.T.getTokFromName(a[g].value));switch(w){default:c.iToken=1;this.invArg();break;case 134221834:c.iToken=1;r="data";u="";break;case 1715472409:c.iToken=g+1;for(a=
0;3>a;a++){switch(this.tokAt(c.iToken)){case 4:v[a]=JS.T.getTokFromName(c.getToken(c.iToken).value);break;default:v[a]=this.tokAt(c.iToken);break;case 0:0==a&&this.invArg();case 1287653388:case 32:case 64:a=2;continue}1715472409!=v[a]&&!JS.T.tokAttr(v[a],1077936128)&&this.invArg();A[a]=this.getToken(c.iToken).value.toString();c.iToken++}1287653388==this.tokAt(c.iToken)&&(F=this.stringParameter(++c.iToken),d=!1,c.iToken++);32==this.tokAt(c.iToken)&&(x=this.getPoint3f(++c.iToken,!1),c.iToken++);64==
this.tokAt(c.iToken)&&(K=this.getPoint3f(++c.iToken,!1),c.iToken++);r="property "+A[0]+(null==A[1]?"":" "+A[1])+(null==A[2]?"":" "+A[2]);0>C.nextSetBit(0)&&(C=this.vwr.getModelUndeletedAtomsBitSet(b));l="select "+JU.Escape.eBS(C)+";\n ";break;case 4138:r.equalsIgnoreCase("draw")&&(r=c.optParameterAsString(--f).toLowerCase());r=f>g&&r.startsWith("r");r="ramachandran"+(r?" r":"")+(135176==h?" draw":"");break;case 134221850:case 136314895:e=' "'+this.vwr.getQuaternionFrame()+'"';l="set quaternionFrame"+
e+";\n  ";p=!0;r.equalsIgnoreCase("draw")&&(n=!0,r=c.optParameterAsString(--f).toLowerCase());t=(q=r.startsWith("deriv")||r.startsWith("diff"))&&0<r.indexOf("2");q&&f--;if(r.equalsIgnoreCase("helix")||r.equalsIgnoreCase("axis"))q=n=!0,f=-1;r=((f<=g?"":c.optParameterAsString(f))+"w").substring(0,1);if(r.equals("a")||r.equals("r"))q=!0;JU.PT.isOneOf(r,";w;x;y;z;r;a;")||c.evalError("QUATERNION [w,x,y,z,a,r] [difference][2]",null);r="quaternion "+r+(q?" difference":"")+(t?"2":"")+(n?" draw":"")}this.st=
j;if(this.chk)return"";if(m&&(l+="plot "+r,j=this.vwr.ms.getJmolDataFrameIndex(b,l),0<j&&134221856!=h&&134222350!=h))return this.vwr.setCurrentModelIndexClear(j,!0),"";m=f=j=null;g=Array(3);if(1715472409==w){j=this.getBitsetPropertyFloat(C,v[0]|224,1715472409==v[0]?A[0]:null,null==x?NaN:x.x,null==K?NaN:K.x);g[0]=A[0]+" "+JU.Escape.eAF(j);null!=A[1]&&(f=this.getBitsetPropertyFloat(C,v[1]|224,1715472409==v[1]?A[1]:null,null==x?NaN:x.y,null==K?NaN:K.y),g[1]=A[1]+" "+JU.Escape.eAF(f));null!=A[2]&&(m=
this.getBitsetPropertyFloat(C,v[2]|224,1715472409==v[2]?A[2]:null,null==x?NaN:x.z,null==K?NaN:K.z),g[2]=A[2]+" "+JU.Escape.eAF(m));null==x&&(x=JU.P3.new3(this.getPlotMinMax(j,!1,v[0]),this.getPlotMinMax(f,!1,v[1]),this.getPlotMinMax(m,!1,v[2])));null==K&&(K=JU.P3.new3(this.getPlotMinMax(j,!0,v[0]),this.getPlotMinMax(f,!0,v[1]),this.getPlotMinMax(m,!0,v[2])));JU.Logger.info("plot min/max: "+x+" "+K);n=k=null;if(d){n=JU.P3.new3(1,1,1);k=new JU.P3;k.ave(K,x);n.sub2(K,x);n.set(n.x/200,n.y/200,n.z/200);
JS.T.tokAttr(v[0],1094713344)?(n.x=1,k.x=0):0.1<n.x&&10>=n.x&&(n.x=1);JS.T.tokAttr(v[1],1094713344)?(n.y=1,k.y=0):0.1<n.y&&10>=n.y&&(n.y=1);JS.T.tokAttr(v[2],1094713344)?(n.z=1,k.z=0):0.1<n.z&&10>=n.z&&(n.z=1);if(null==A[2]||null==A[1])k.z=x.z=K.z=n.z=0;for(a=0;a<j.length;a++)j[a]=(j[a]-k.x)/n.x;if(null!=A[1])for(a=0;a<f.length;a++)f[a]=(f[a]-k.y)/n.y;if(null!=A[2])for(a=0;a<m.length;a++)m[a]=(m[a]-k.z)/n.z}k=E(-1,[C,j,f,m,x,K,n,k,F,g])}if(134221856==h)return this.vwr.writeFileData(s,"PLOT_"+r,b,
k);d=r.equals("data")?"1 0 H 0 0 0 # Jmol PDB-encoded data":this.vwr.getPdbData(b,r,null,k,null,!0);if(134222350==h)return d;JU.Logger.debugging&&JU.Logger.debug(d);if(135176==h)return c.runScript(d),"";h=this.vwr.fm.getFileInfo();s=this.vwr.getBoolean(603979792);this.vwr.g.appendNew=!0;d=null!=d&&null==this.vwr.openStringInlineParamsAppend(d,null,!0);this.vwr.g.appendNew=s;this.vwr.fm.setFileInfo(h);if(!d)return"";h=this.vwr.ms.mc;this.vwr.ms.setJmolDataFrame(l,b,h-1);1715472409!=w&&(l+=";\n"+u);
l=this.vwr.addStateScript(l,!0,!1);d=150;switch(w){default:b="frame 0.0; frame last; reset;select visible;wireframe only;";d=10;break;case 1715472409:this.vwr.setFrameTitle(h-1,r+" plot for model "+this.vwr.getModelNumberDotted(b));b="frame 0.0; frame last; reset;select visible; spacefill 3.0; wireframe 0;draw plotAxisX"+h+' {100 -100 -100} {-100 -100 -100} "'+A[0]+'";draw plotAxisY'+h+' {-100 100 -100} {-100 -100 -100} "'+A[1]+'";';null!=A[2]&&(b+="draw plotAxisZ"+h+' {-100 -100 100} {-100 -100 -100} "'+
A[2]+'";');break;case 4138:this.vwr.setFrameTitle(h-1,"ramachandran plot for model "+this.vwr.getModelNumberDotted(b));b="frame 0.0; frame last; reset;select visible; color structure; spacefill 3.0; wireframe 0;draw ramaAxisX"+h+' {100 0 0} {-100 0 0} "phi";draw ramaAxisY'+h+' {0 100 0} {0 -100 0} "psi";';break;case 134221850:case 136314895:this.vwr.setFrameTitle(h-1,r.$replace("w"," ")+e+" for model "+this.vwr.getModelNumberDotted(b)),b=JU.C.getHexCode(this.vwr.cm.colixBackgroundContrast),b="frame 0.0; frame last; reset;select visible; wireframe 0; spacefill 3.0; isosurface quatSphere"+
h+" color "+b+" sphere 100.0 mesh nofill frontonly translucent 0.8;draw quatAxis"+h+'X {100 0 0} {-100 0 0} color red "x";draw quatAxis'+h+'Y {0 100 0} {0 -100 0} color green "y";draw quatAxis'+h+'Z {0 0 100} {0 0 -100} color blue "z";color structure;draw quatCenter'+h+"{0 0 0} scale 0.02;"}c.runScript(b+u);l.setModelIndex(this.vwr.am.cmi);this.vwr.setRotationRadius(d,!0);c.sm.loadShape(31);this.showString("frame "+this.vwr.getModelNumberDotted(h-1)+(0<r.length?" created: "+r+(p?e:""):""));return""},
"~A");k(p,"polyhedra",function(){var a=this.e,c=1==this.slen,b=!1,f=c,e=!1,d=!1,j=!1,h=NaN,g=0;a.sm.loadShape(21);this.setShapeProperty(21,"init",Boolean.TRUE);var s=3.4028235E38,m=-1,n=L(-1,[-2147483648]),k=-1,l=-1,p=null,q=0,t=null,r=!1,A=!1,v=null,C=null;if(2==this.slen&&1073742001==this.tokAt(1))this.chk||a.showStringPrint(this.getShapeProperty(21,"list"),!1);else{for(var u=1;u<this.slen;++u){var x=null,v=null;switch(this.getToken(u).tok){case 1073742197:h=NaN;case 1073741872:a=1073742197==this.e.theTok?
-1:2==this.tokAt(u+1)?this.intParameter(++u):1;this.chk||J.api.Interface.getInterface("JU.BZone",this.vwr,"script").createBZ(this.vwr,a,null,!1,t,h,q,p);return;case 6:x="info";v=this.e.theToken.getMap();f=!0;break;case 134217751:x="points";v=Float.$valueOf(1073742334==this.tokAt(++u)?0:this.e.floatParameter(u));r=!0;break;case 536875059:h=this.floatParameter(++u);r=!0;continue;case 1814695966:null!=t&&this.invArg();x="unitCell";v=Boolean.TRUE;f=!0;break;case 1073742072:this.e.restrictSelected(!1,
!1),a.theTok=1073742335;case 1073742335:case 12291:case 1073742334:(u+1!=this.slen||f||1<g)&&this.error(18);x=1073742334==a.theTok?"off":1073742335==a.theTok?"on":"delete";e=!0;break;case 7:(null==t||f)&&this.invArg();f=!0;v=this.getIntArray2(u);C=this.getAllPoints(a.iToken+1,3);u=a.iToken;N(C[0],"JM.Atom")&&this.setShapeProperty(21,"model",Integer.$valueOf(C[0].getModelIndex()));x="definedFaces";v=E(-1,[v,C]);break;case 1073741961:x="full";break;case 2:null!=t&&this.invArg();x="nVertices";v=Integer.$valueOf(this.intParameter(u));
f=!0;268436992==this.tokAt(u+1)&&u++;break;case 1677721602:null!=t&&this.invArg();0<g&&this.invPO();f=!0;x="bonds";c=!0;break;case 1073741852:-1!=m&&this.invArg(),m=0,u--;case 1665140738:u++;case 3:null!=t&&this.invArg();0<g&&this.invPO();x=0>=m?"radius":"radius1";v=Float.$valueOf(m=0==m?0:this.floatParameter(u));f=!0;break;case 1073742066:this.isFloatParameter(u+1)?q=this.floatParameter(++u):(p=this.e.centerParameter(++u,null),u=a.iToken);r=!0;continue;case 1073741937:this.setShapeProperty(21,"collapsed",
null);case 1073742099:case 1073741924:x=JS.T.nameOf(a.theTok);switch(this.tokAt(u+1)){case 268440324:case 268436992:u++}v=Float.$valueOf(this.floatParameter(++u));break;case 1094717454:null==t&&this.invArg();x="model";v=Integer.$valueOf(this.intParameter(++u));break;case 1073742170:(1<g||null!=t&&!b||k==u)&&this.invPO();g=3;a.isAtomExpression(++u)?(x=f||b?"to":"toBitSet",v=this.atomExpressionAt(u)):a.isArrayParameter(u)?(x="toVertices",v=a.getPointArray(u,-1,!1,!0)):this.error(19);u=a.iToken;f=!0;
break;case 12290:case 10:case 1073742325:d&&this.invPO();switch(++g){case 1:null!=t&&this.invArg();x="centers";break;case 2:x="to";f=!0;break;default:a.bad()}v=this.atomExpressionAt(u);l=u=a.iToken;f=(new Boolean(f|u+1==this.slen)).valueOf();break;case 1073741948:case 1073741886:f=!0;A=1==u;d&&this.error(18);d=!0;x=1073741886==this.e.theTok?"collapsed":null;this.isFloatParameter(u+1)&&this.setShapeProperty(21,"faceCenterOffset",Float.$valueOf(this.floatParameter(++u)));break;case 1765808134:case 1111490588:case 1073742074:l==
u-1&&(f=!0);s=this.getColorTrans(a,u,!0,n);r=!0;u=a.iToken;continue;case 1073742044:case 1073741933:case 1073741956:case 1073741934:l==u-1&&(f=!0);j&&this.error(18);r=j=!0;x=JS.T.nameOf(a.theTok);break;case 1073742182:case 1073742060:case 1073741861:case 1073741958:case 1073741964:continue;case 1073741974:case 268441089:case 1073741824:case 4:if(!a.isColorParam(u)){1!=u&&this.invPO();t=1073741974==a.theTok?this.stringParameter(++u):a.optParameterAsString(u);268441089==this.tokAt(u+1)&&(t+=this.paramAsStr(++u));
this.setShapeProperty(21,"thisID",t);this.setShapeProperty(21,"model",Integer.$valueOf(this.vwr.am.cmi));if(!a.isCenterParameter(u+1))continue;x="center";v=this.centerParameter(++u);u=a.iToken;b=!0;break}default:if(a.isColorParam(u)){l==u-1&&(f=!0);n[0]=a.getArgbParam(u);a.isCenterParameter(u)&&(k=a.iToken+1);u=a.iToken;continue}this.invArg()}null!=x&&this.setShapeProperty(21,x,v);if(e)return}f?(!d&&c&&this.setShapeProperty(21,"bonds",null),this.setShapeProperty(21,"generate",Boolean.$valueOf(A))):
r||this.error(19);null!=p&&this.setShapeProperty(21,"offset",p);Float.isNaN(h)||this.setShapeProperty(21,"scale",Float.$valueOf(h));-2147483648!=n[0]&&this.setShapeProperty(21,"colorThis",Integer.$valueOf(n[0]));3.4028235E38!=s&&a.setShapeTranslucency(21,"","translucentThis",s,null);this.setShapeProperty(21,"init",Boolean.FALSE)}});k(p,"write",function(a){null==a&&this.vwr.haveAccessInternal(null)&&this.invArg();var c=this.e,b=1,f=1,e=null,d=null,j=null,h=null,g="SPT",s=!0,m=!1,n=!1;null==a?(a=this.st,
m=this.vwr.isApplet&&!this.vwr.isSignedApplet||!this.vwr.haveAccess(JV.Viewer.ACCESS.ALL)||0<this.vwr.fm.getPathForAllFiles().length):(b=f=0,s=!1,m=!s);var k=JS.CmdExt.tokAtArray(b,a);if(4==k&&!s){var l=JS.T.getTokenFromName(JS.SV.sValue(a[0]).toLowerCase());null!=l&&(k=l.tok)}switch(k){case 0:break;case 134221850:case 4138:case 1715472409:return d=this.plot(a),m?d:this.writeMsg(d);case 134222850:c.isArrayParameter(b+1)&&(e=c.stringParameterSet(++b),h=j=".",f=b=c.iToken+1,k=this.tokAt(b));break;default:g=
JS.SV.sValue(this.tokenAt(b,a)).toUpperCase()}var p=this.vwr.getExportDriverList(),l=null,q=s?this.slen:a.length,t="",r=null,A=!1,v=null,C=0,u=null,x=!1,E=null,F=-1,w=-1,D=!1,B=null,G=-2147483648;0!=k&&(s&&1<this.slen&&1073741848==this.tokAt(this.slen-2))&&(g=this.paramAsStr(this.slen-1).toUpperCase(),f=q,q-=2,k=0);switch(k){case 15:case 6:g="VAR";v=this.tokenAt(b++,a);break;case 1073741984:g="INLINE";l=JS.SV.sValue(this.tokenAt(++b,a));b++;break;case 1275068447:g="PGRP";b++;t=JS.SV.sValue(this.tokenAt(b,
a)).toLowerCase();t.equals("draw")&&b++;break;case 1073742329:b++;x=!0;break;case 1073742158:case 134222850:for(r=JS.SV.sValue(this.tokenAt(++b,a)).toLowerCase();r.equals("localpath")||r.equals("remotepath");)r.equals("localpath")?j=JS.SV.sValue(this.tokenAt(++b,a)):h=JS.SV.sValue(this.tokenAt(++b,a)),r=JS.SV.sValue(this.tokenAt(++b,a)).toLowerCase();g="SPT";break;case 1228935687:case 134320141:case 1610616855:case 135180:case 1073742015:case 1073742018:case 1073877011:case 1073877010:case 135188:b++;
break;case 1073741991:g="ZIPALL";b++;break;case 36868:g="VAR";b+=2;break;case 1073741929:case 4115:case 4120:case 1073742062:case 1073742139:case 4166:case 1073741824:case 4:switch(k){case 4115:b+1<q&&1073742325==a[++b].tok||10==a[b].tok?(r=c.atomExpression(a,b,0,!0,!1,null,!0),b=c.iToken+1):r=this.vwr.getAllAtoms();this.chk||(E=this.vwr.ms.getModelBS(r,!0));break;case 1073741929:k=4120,A=!0;case 4120:g="IMAGE";b++;break;case 1073742139:r=JS.SV.sValue(this.tokenAt(++b,a)).toUpperCase();JU.PT.isOneOf(r,
";PNG;PNGJ;")?(u=r,b++):u="PNG";break;case 4166:C=c.intParameterRange(++b,1,10);if(2147483647==C)return"";this.chk||(this.vwr.tm.setVibrationPeriod(0),c.isJS||c.delayScript(100));b++;break;default:k=4120}if(4120==k&&b<a.length)if(k=JS.T.getTokenFromName(JS.SV.sValue(a[b]).toLowerCase()),null!=k&&(g=JS.SV.sValue(k).toUpperCase()),JU.PT.isOneOf(g,p.toUpperCase())){b++;g=g.substring(0,1).toUpperCase()+g.substring(1).toLowerCase();D=!0;s&&(B="Jmol."+g.toLowerCase());break}else if(JU.PT.isOneOf(g,";ZIP;ZIPALL;SPT;STATE;")){b++;
break}else g="IMAGE";2==JS.CmdExt.tokAtArray(b,a)&&(F=JS.SV.iValue(this.tokenAt(b++,a)),0>=F&&this.invArg(),w=JS.SV.iValue(this.tokenAt(b++,a)),0>=w&&this.invArg())}if(f<q){r=JS.SV.sValue(this.tokenAt(b,a));if(r.equalsIgnoreCase("clipboard")){if(this.chk)return""}else JU.PT.isOneOf(r.toLowerCase(),";jpg;jpeg;jpg64;jpeg64;gif;gift;pdf;ppm;png;pngj;pngt;")?(2==JS.CmdExt.tokAtArray(b+1,a)&&2==JS.CmdExt.tokAtArray(b+2,a)&&(F=JS.SV.iValue(this.tokenAt(++b,a)),0>=F&&this.invArg(),w=JS.SV.iValue(this.tokenAt(++b,
a)),0>=w&&this.invArg()),2==JS.CmdExt.tokAtArray(b+1,a)&&(G=JS.SV.iValue(this.tokenAt(++b,a)))):JU.PT.isOneOf(r.toLowerCase(),";xyz;xyzrn;xyzvib;mol;mol67;sdf;v2000;v3000;json;pdb;pqr;cml;cif;cifp1;pwmat;pwslab;qcjson;xsf;")&&(g=r.toUpperCase(),b+1==q&&b++);g.equals("IMAGE")&&JU.PT.isOneOf(r.toLowerCase(),";jpg;jpeg;jpg64;jpeg64;gif;gift;pdf;ppm;png;pngj;pngt;scene;")&&(g=r.toUpperCase(),G=-2147483648,b++)}b+2==q&&JS.SV.sValue(this.tokenAt(++b,a));switch(JS.CmdExt.tokAtArray(b,a)){case 0:m=!0;break;
case 1073741884:break;case 805307393:B=g.equals("IMAGE")?"?jmol.png":"?jmol."+g.toLowerCase();break;case 1073741824:case 4:B=JS.SV.sValue(this.tokenAt(b,a));if(B.equalsIgnoreCase("clipboard")||!this.vwr.haveAccess(JV.Viewer.ACCESS.ALL))B=null;break;default:this.invArg()}if(g.equals("IMAGE")||g.equals("FRAME")||g.equals("VIBRATION"))g=null!=B&&0<=B.indexOf(".")?B.substring(B.lastIndexOf(".")+1).toUpperCase():"JPG";if(g.equals("ISOSURFACE")||g.equals("CONTACT")||g.equals("PLB"))n=g.equals("CONTACT"),
g.equals("PLB")||(g=null!=B&&0<=B.indexOf(".")?B.substring(B.lastIndexOf(".")+1).toUpperCase():"JVXL"),g.equals("PMESH")?g="ISOMESH":g.equals("PMB")&&(g="ISOMESHBIN"),g.equals("PLY")?g="ISOPLY":g.equals("PLB")&&(g="ISOPLYBIN");k=JU.PT.isOneOf(g.toLowerCase(),";jpg;jpeg;jpg64;jpeg64;gif;gift;pdf;ppm;png;pngj;pngt;scene;");if(!k&&(g.equals("MNU")?g="MENU":g.equals("WRL")||g.equals("VRML")?(g="Vrml",D=!0):g.equals("X3D")?(g="X3d",D=!0):g.equals("STL")?(g="Stl",D=!0):g.equals("IDTF")?(g="Idtf",D=!0):
g.equals("MA")?(g="Maya",D=!0):g.equals("JS")?(g="Js",D=!0):g.equals("OBJ")?(g="Obj",D=!0):g.equals("JVXL")?g="ISOSURFACE":g.equals("XJVXL")?g="ISOSURFACE":g.equals("JMOL")?g="ZIPALL":g.equals("HIS")&&(g="HISTORY"),g.equals("COORD")||g.equals("COORDS")))g=null!=B&&0<=B.indexOf(".")?B.substring(B.lastIndexOf(".")+1).toUpperCase():"XYZ";null!=e&&(JV.FileManager.isJmolType(g)||this.invArg(),g.equals("PNG")&&(g="PNGJ"));!k&&(!D&&!JU.PT.isOneOf(g,";SCENE;JMOL;ZIP;ZIPALL;SPT;HISTORY;MO;NBO;ISOSURFACE;MESH;PMESH;PMB;PLY;PLB;ISOMESHBIN;ISOMESH;ISOPLY;ISOPLYBIN;VAR;FILE;FUNCTION;CFI;CIF;CIFP1;CML;JSON;XYZ;XYZRN;XYZVIB;MENU;MOL;MOL67;PDB;PGRP;PQR;PWMAT;PWSLAB;QUAT;RAMA;SDF;V2000;V3000;QCJSON;XSF;INLINE;"))&&
c.errorStr2(54,"COORDS|FILE|FUNCTIONS|HISTORY|IMAGE|INLINE|ISOSURFACE|JMOL|MENU|MO|NBO|POINTGROUP|QUATERNION [w,x,y,z] [derivative]|RAMACHANDRAN|SPT|STATE|VAR x|ZIP|ZIPALL|CLIPBOARD","CIF|CIFP1|CML|CFI|GIF|GIFT|JPG|JPG64|JMOL|JVXL|MESH|MOL|PDB|PMESH|PNG|PNGJ|PNGT|PPM|PQR|PWMAT|PWSLAB|SDF|CD|JSON|QCJSON|V2000|V3000|SPT|XJVXL|XSF|XYZ|XYZRN|XYZVIB|ZIP"+p.toUpperCase().$replace(";","|"));if(this.chk)return"";var b=Array(1),y,f=this.vwr.getBoolean(603979934);if(D){f&&JU.Logger.startTimer("export");d=new java.util.Hashtable;
d.put("type",g);null!=B&&d.put("fileName",B);(s||null!=B)&&d.put("fullPath",b);d.put("width",Integer.$valueOf(F));d.put("height",Integer.$valueOf(w));try{l=this.vwr.generateOutputForExport(d)}catch(I){if(P(I,Exception))return l=I.toString();throw I;}if(null==l||0==l.length)return"";if(m)return l;if(!g.equals("Povray")&&!g.equals("Idtf")||null==b[0])return this.writeMsg(l);d=g.equals("Idtf")?".tex":".ini";B=b[0]+d;y=new java.util.Hashtable;y.put("fileName",B);y.put("type",d);y.put("text",l);y.put("fullPath",
b);d=this.vwr.processWriteOrCapture(y);g.equals("Idtf")&&(l=l.substring(0,l.indexOf("\\begin{comment}")));l="Created "+b[0]+":\n\n"+l;f&&this.showString(JU.Logger.getTimerMsg("export",0));null!=d&&((g=!d.startsWith("OK"))&&c.evalError(d,null),c.report(l,g));return""}D=null;p=!1;if(null==l){l=g.intern();if("MENU"===l)l=this.vwr.getMenu("");else if("PGRP"===l)l=this.vwr.ms.getPointGroupAsString(this.vwr.bsA(),null,0,1,null,null,t.equals("draw")?"":null);else if("PDB"===l||"PQR"===l)m?l=this.vwr.getPdbAtomData(null,
null,"PQR"===l,x):(p=!0,g="PDB_"+l+"-coord "+x);else if("FILE"===l)"?".equals(B)&&(B="?Jmol."+this.vwr.getP("_fileType")),m?l=this.e.getCurrentModelFileAsString(null):p=!0;else if(JU.PT.isOneOf(l,";CIF;CIFP1;SDF;MOL;MOL67;V2000;V3000;CD;JSON;XYZ;XYZRN;XYZVIB;CML;QCJSON;PWMAT;PWSLAB;XSF;")){a=this.vwr.bsA();this.vwr.setErrorMessage(null," ("+a.cardinality()+" atoms)");l=this.vwr.getModelExtract(a,x,!1,l);d=this.vwr.getErrorMessageUn();this.vwr.setErrorMessage(null,null);if(0<=this.vwr.am.cmi&&!a.equals(y=
this.vwr.getModelUndeletedAtomsBitSet(this.vwr.am.cmi)))d+="\nNote! Selected atom set "+a+" is not the same as the current model "+y;l.startsWith("ERROR:")&&(D=l)}else if("CFI"===l)l=this.vwr.getModelFileData("selected","cfi",!1);else if("FUNCTION"===l)l=this.vwr.getFunctionCalls(null),g="TXT";else if("VAR"===l)null==v&&(v=c.getParameter(JS.SV.sValue(this.tokenAt(s?2:1,a)),1073742190,!0)),a=null,15==v.tok?(a=new JU.Lst,a.addLast(v.value.data)):6==v.tok&&(a=null==B?new JU.Lst:this.prepareBinaryOutput(v)),
null==a?(l=v.asString(),g="TXT"):null!=B&&(y=new java.util.Hashtable,y.put("data",a),null==(D=l=this.vwr.createZip(B,1==a.size()||B.endsWith(".png")||B.endsWith(".pngj")?"BINARY":"ZIPDATA",y))&&c.evalError("#CANCELED#",null));else if("SPT"===l)if(x)y=this.vwr.ms.getTaintedAtoms(2),this.vwr.setAtomCoordsRelative(JU.P3.new3(0,0,0),null),l=this.vwr.getStateInfo(),this.vwr.ms.setTaintedAtoms(y,2);else{if(l=this.vwr.getStateInfo(),null!=j||null!=h)l=JV.FileManager.setScriptFileReferences(l,j,h,null)}else"ZIP"===
l||"ZIPALL"===l?null!=B&&(y=new java.util.Hashtable,null!=e&&y.put("data",e),null==(D=l=this.vwr.createZip(B,g,y))&&c.evalError("#CANCELED#",null)):"HISTORY"===l?(l=this.vwr.getSetHistory(2147483647),g="SPT"):"MO"===l||"NBO"===l?(l=this.getMoJvxl(2147483647,"NBO"===l),g="XJVXL"):"PMESH"===l||"PMB"===l?(null==(l=this.getIsosurfaceJvxl(29,l))&&this.error(31),g="XJVXL"):"ISOMESH"===l?(null==(l=this.getIsosurfaceJvxl(24,l))&&this.error(31),g="PMESH"):"ISOMESHBIN"===l?(null==(D=this.getIsosurfaceJvxl(24,
"ISOMESHBIN"))&&this.error(31),g="PMB"):"ISOPLY"===l?(null==(l=this.getIsosurfaceJvxl(24,l))&&this.error(31),g="PLY"):"ISOPLYBIN"===l?(null==(D=this.getIsosurfaceJvxl(24,"ISOPLYBIN"))&&this.error(31),g="PLB"):"ISOSURFACE"===l||"MESH"===l?(null==(l=this.getIsosurfaceJvxl(n?25:24,l))&&this.error(31),g=0<=l.indexOf("<?xml")?"XJVXL":"JVXL",m||this.showString(this.getShapeProperty(n?25:24,"jvxlFileInfo"))):(s&&(m&&null==B)&&(m=!1,B="\u0001"),null==u&&0>G&&(G=-1));null==l&&(l="")}if(!s)return l;if(m)return c.showStringPrint(l,
!0),"";if(null!=D&&"string"==typeof D)return this.writeMsg(D);if(p)return this.writeMsg(this.vwr.writeFileData(B,g,0,null));if(g.equals("SCENE"))D=u;else if(null==D&&(!k||null!=B))D=l;f&&JU.Logger.startTimer("write");k&&(c.refresh(!1),0>F&&(F=A?250:this.vwr.getScreenWidth()),0>w&&(w=A?250:this.vwr.getScreenHeight()));y=new java.util.Hashtable;null!=B&&y.put("fileName",B);y.put("backgroundColor",Integer.$valueOf(this.vwr.getBackgroundArgb()));y.put("type",g);if(A){y.put("is2D",Boolean.TRUE);var L,
c="smiles could not be generated";try{if(L=this.vwr.getOpenSmiles(null),0<L.length){var M=this.vwr.setLoadFormat(!0,"_"+L,"2",!1),M=M+("?width="+F+"&height="+w+"&format="+g.toLowerCase());this.showString(M);c=this.vwr.fm.getFileAsBytes(M,null)}}catch(H){if(!P(H,Exception))throw H;}if("string"==typeof c)return this.showString(c),null;D=c}"string"==typeof D&&-2147483648==G?y.put("text",D):N(D,Array)&&y.put("bytes",D);null!=e&&y.put("scripts",e);null!=E&&y.put("bsFrames",E);y.put("fullPath",b);y.put("quality",
Integer.$valueOf(G));y.put("width",Integer.$valueOf(F));y.put("height",Integer.$valueOf(w));y.put("nVibes",Integer.$valueOf(C));c=this.vwr.processWriteOrCapture(y);null==c&&(c="canceled");k&&c.startsWith("OK")&&(c+="; width="+F+"; height="+w);f&&this.showString(JU.Logger.getTimerMsg("write",0));return this.writeMsg(c+(null==d?"":d))},"~A");k(p,"prepareBinaryOutput",function(a){var c=a.getMap();if(null==c||!c.containsKey("$_BINARY_$"))return null;a=new JU.Lst;for(var b,c=c.entrySet().iterator();c.hasNext()&&
((b=c.next())||1);){var f=b.getKey();if(!f.equals("$_BINARY_$")){var e=b.getValue(),d=15==e.tok?e.value.data:null;null==d&&(e=e.asString(),d=e.startsWith(JV.JC.BASE64_TAG)?JU.Base64.decodeBase64(e):e.getBytes());if(f.equals("_DATA_")){a=new JU.Lst;a.addLast(d);break}else f.equals("_IMAGE_")?(a.add(0,f),a.add(1,null),a.add(2,d)):(a.addLast(f),a.addLast(null),a.addLast(d))}}return a},"JS.SV");k(p,"writeMsg",function(a){if(this.chk||null==a)return"";var c=!a.startsWith("OK");c&&(this.e.evalError(a,null),
alert(a));this.e.report(a,c);return a},"~S");k(p,"show",function(){var a=this.e,c=null,b=this.paramAsStr(1),f=null,e=0;3<this.slen&&268441088==this.tokAt(this.slen-3)&&268439040==this.tokAt(this.slen-2)?(f="!/"+this.paramAsStr(this.slen-1),this.slen-=3,e=3):2<this.slen&&268441088==this.tokAt(this.slen-2)?(f="/"+this.paramAsStr(this.slen-1),this.slen-=2,e=2):0==(f=this.paramAsStr(this.slen-1)).lastIndexOf("/")?(this.slen--,e=1):f=null;var d=null,j=null,h=2,g=this.getToken(1),j=N(g,"JS.SV")&&1073741824!=
g.tok?0:g.tok;4==j&&(g=JS.T.getTokenFromName(b.toLowerCase()),null!=g&&(j=g.tok));1296041985!=j&&(1073742158!=j&&1715472409!=j&&1228935687!=j)&&this.checkLength(-3);2==this.slen&&0<=b.indexOf("?")&&(d=this.vwr.getAllSettings(b.substring(0,b.indexOf("?"))),j=-1);switch(j){case 0:this.chk||(d=a.theToken.escape());break;case 603984065:this.chk||(d=this.vwr.stm.getUndoInfo());break;case 1073741925:a.checkLength23();h=this.st.length;this.chk||(d=this.vwr.getModelInfo("domains"),d=N(d,"JS.SV")?this.vwr.getAnnotationInfo(d,
a.optParameterAsString(2),1073741925):"domain information has not been loaded");break;case 1715472409:d=this.plot(this.st);h=this.st.length;break;case 1073742189:a.checkLength23();h=this.st.length;this.chk||(d=this.vwr.getModelInfo("validation"),d=N(d,"JS.SV")?this.vwr.getAnnotationInfo(d,a.optParameterAsString(2),1073742189):"validation information has not been loaded");break;case 134221829:this.chk||(d=JU.Escape.e(this.vwr.fm.cacheList()));break;case 1111490587:a.checkLength23();h=this.st.length;
this.chk||(d=this.vwr.getModelInfo("dssr"),d=null==d?"no DSSR information has been read":2<h?JS.SV.getVariable(this.vwr.extractProperty(d,this.stringParameter(2),-1)).asString():""+JS.SV.getVariable(d).asString());break;case 1073741915:j=2;3==this.slen?j=F(this.floatParameter((h=3)-1)):this.checkLength(2+e);this.chk||(d=this.vwr.calculateStructures(null,!0,!1,j));break;case 545259572:this.checkLength(2+e);this.chk||(d=this.vwr.fm.getPathForAllFiles());break;case 1275203608:if(!this.chk){var k=Array(2);
this.vwr.shm.getShapePropertyData(21,"allInfo",k);d=JS.SV.getVariable(k[1]).asString()}break;case 1073742038:this.chk||this.vwr.getNMRPredict(a.optParameterAsString(2));return;case 603983903:!this.chk&&3==this.slen&&(d=""+this.vwr.getModelkitPropertySafely(a.stringParameter(2)),h=3);break;case 1275068433:case 1073741978:case 1073741929:case 1073741879:case 134218757:this.checkLength((1073741879==j||134218757==j&&1073742335==this.tokAt(2)?h=3:2)+e);if(this.chk)return;var m=a.optParameterAsString(2);
1073741879==j&&("mf".equals(m)&&(m="formula"),"formula".equals(m)&&(d=this.vwr.getModelInfo("formula"),null!=d&&(d=JU.PT.rep(d," ",""))));if(null==d){try{switch(j){case 1275068433:d=this.vwr.getInchi(this.vwr.bsA(),null,null);null==d&&(d="?");break;case 1073741978:d=this.vwr.getInchi(this.vwr.bsA(),null,"key");break;case 134218757:m.equalsIgnoreCase("true")?(d=this.vwr.getBioSmiles(null),f=null):null!=f&&(d=this.vwr.getSmilesOpt(null,-1,-1,1,f+"///"),f=null);break;default:d=this.vwr.ms.getModelDataBaseName(this.vwr.bsA()),
d=null!=d&&(d.startsWith("$")||d.startsWith(":"))?d.substring(1):null}if(null==d){var n=JU.Logger.getLogLevel();JU.Logger.setLogLevel(4);d=134218757==j?this.vwr.getSmiles(null):this.vwr.getOpenSmiles(null);JU.Logger.setLogLevel(n)}}catch(p){if(P(p,Exception))d=p.getMessage(),null==d&&(d=""),p.printStackTrace();else throw p;}switch(j){case 1073741929:if(0<d.length){this.vwr.fm.loadImage(this.vwr.setLoadFormat(!1,"_"+d,"2",!1),"\u0001"+d,!1);return}d="Could not show drawing -- Either insufficient atoms are selected or the model is a PDB file.";
break;case 1073741879:h=3,0<d.length?(d=this.vwr.getChemicalInfo(d,m,this.vwr.bsA()),0<=d.indexOf("FileNotFound")&&(d="?")):d="Could not show name -- Either insufficient atoms are selected or the model is a PDB file."}}break;case 1086324755:case 1086324754:if(this.chk)break;d=(""+this.vwr.evaluateExpression("symop('wyckoff"+(1086324755==j?"m":"")+"')")).trim();break;case 134217764:case 1296041985:n=this.vwr.getOperativeSymmetry();switch(j){case 134217764:var m=a.optParameterAsString(2),g=m.toLowerCase().equals("names"),
k=m.toLowerCase().startsWith("subgroups"),l=m.toLowerCase().startsWith("diagram"),z=m.startsWith("diagramITA"),q=m.toLowerCase().startsWith("table"),h=this.slen,t=-1;if(g){if(this.chk)break}else if(k||l||q||z){if(this.chk)break;m=JU.PT.trim(m.substring(z?10:k?9:l?7:5).trim(),'"');if(0==m.length){if(null==n){d="Include a space group name or number to view its diagram, table, or subgroups";break}if("/"==n.getSpaceGroupClegId().charAt(1)){d="special group information is not implemented yet";break}m=
n.getIntTableNumber();if(null==m||m.equals("0")){d="Can't display a table; don't have an ITA number.";break}}if(null!=d)break;t=JU.PT.parseInt(m);if(-2147483648==t){null==n&&(n=this.vwr.getSymStatic());k=n.getSpaceGroupInfo(this.vwr.ms,JU.PT.rep(m,"''",'"'),-1,!0,null);if(null==k){d="Could not find space group "+m;break}t=k.get("spaceGroupInfo").get("ita").intValue()}}if(g||0<t){d=j=g?"https://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-getgen":JV.JC.resolveDataBase(z?"itadiagramita":l?"itadiagram":
"itatable",JU.PT.formatS(""+t,3,0,!1,!0),null);this.vwr.showUrl(j);break}case 1296041985:d="";k=null;if(2==(h=this.slen)){if(this.chk)break;null==n&&(n=this.vwr.getSymTemp());k=n.getSpaceGroupInfo(this.vwr.ms,null,-1,!1,null)}else if(134217764==j){n=this.paramAsStr(2);h=3;if(this.chk)break;n.startsWith("list/")&&(f=n.substring(4),n="list");k=this.vwr.getSymTemp().getSpaceGroupInfo(this.vwr.ms,JU.PT.rep(n,"''",'"'),-1,!1,null)}if(null!=k){d=(134217764==j?""+k.get("spaceGroupInfo")+k.get("spaceGroupNote"):
"")+(k.containsKey("symmetryInfo")?k.get("symmetryInfo"):"");break}j=2==this.tokAt(2)?this.intParameter(2):0;n=4==this.tokAt(2)||12==this.tokAt(2)?this.paramAsStr(2):null;g=m=null;l=-1;if(3<this.slen&&4!=this.tokAt(3)){h=E(-1,[null,this.vwr.getFrameAtoms()]);m=a.centerParameter(2+(0==j?0:1),h);if(null!=h[0]&&h[0].isEmpty()){h=this.slen;break}h[0]=null;if(0!=this.tokAt(a.iToken+1)&&4!=this.tokAt(a.iToken+1)&&(g=a.centerParameter(++a.iToken,h),null!=h[0]&&h[0].isEmpty())){h=this.slen;break}0==j&&2==
this.tokAt(a.iToken+1)&&(l=a.getToken(++a.iToken).intValue)}z=1<a.iToken&&4==this.tokAt(a.iToken+1)?this.stringParameter(++a.iToken):null==m&&null==g?"label":null;this.checkLength((h=++a.iToken)+e);this.chk||(d=this.vwr.getSymmetryInfo(this.vwr.getAllAtoms().nextSetBit(0),n,j,null,m,g,0,z,0,l,0,null),d=null==d?"":N(d,"java.util.Map")?JS.SV.getVariable(d).asString():d.toString())}break;case 1648363544:j=null;2<this.slen&&(h=this.slen,j=J.c.VDW.getVdwType(this.paramAsStr(2)),null==j&&this.invArg());
this.chk||(d=this.vwr.getDefaultVdwNameOrData(0,j,null));break;case 134320141:a.checkLength23();h=this.slen;j=a.optParameterAsString(2);if(null==f&&0<=(m=j.indexOf("/")))f=j.substring(m+1),j=j.substring(0,m);this.chk||(d=this.vwr.getFunctionCalls(j));break;case 36867:this.checkLength(2+e);this.chk||(d=this.vwr.getAllSettings(null));break;case 1073742166:d=this.vwr.getFrameTitle();break;case 1073742184:2==this.slen?this.chk||this.vwr.showUrl(a.getFullPathName(!1)):(j=this.paramAsStr(2),this.chk||this.vwr.showUrl(j));
return;case 1765808134:b="defaultColorScheme";break;case 1610612740:b="scaleAngstromsPerInch";break;case 134221850:case 4138:if(this.chk)return;0>this.vwr.am.cmi&&a.errorStr(30,"show "+a.theToken.value);d=this.plot(this.st);h=this.slen;break;case 14:case 1112152078:this.chk||(d=this.getContext(!1));break;case 1073741888:j=a.optParameterAsString(2);0<j.length&&(h=3);this.chk||(c=this.vwr.cm.getColorSchemeList(j));break;case 1073742192:this.chk||(d=this.vwr.getAtomDefs(this.vwr.definedAtomSets)+this.vwr.g.getVariableList()+
this.getContext(!0));break;case 536870926:this.chk||(d=this.vwr.getTrajectoryState());break;case 553648144:c=""+JS.ScriptEval.commandHistoryLevelMax;break;case 553648148:c=""+JU.Logger.getLogLevel();break;case 603979825:c=""+this.vwr.getBoolean(603979825);break;case 553648178:d="set strandCountForStrands "+this.vwr.getStrandCount(12)+"; set strandCountForMeshRibbon "+this.vwr.getStrandCount(13);break;case 536875070:d=this.vwr.showTimeout(2==(h=this.slen)?null:this.paramAsStr(2));break;case 536870918:c=
JU.Escape.eP(this.vwr.getDefaultLattice());break;case 4126:this.chk||(d=this.vwr.getMinimizationInfo());break;case 1611272194:switch(this.vwr.g.axesMode){case 603979808:d="set axesUnitcell";break;case 603979804:d="set axesMolecular";break;default:d="set axesWindow"}break;case 1610612737:d="set bondMode "+(this.vwr.getBoolean(603979812)?"OR":"AND");break;case 1649022989:this.chk||(d="set strandCountForStrands "+this.vwr.getStrandCount(12)+"; set strandCountForMeshRibbon "+this.vwr.getStrandCount(13));
break;case 1613238294:d="set hbondsBackbone "+this.vwr.getBoolean(603979852)+";set hbondsSolid "+this.vwr.getBoolean(603979854);break;case 1611141175:this.chk||(d=this.vwr.getSpinState());break;case 1611141176:d="set ssbondsBackbone "+this.vwr.getBoolean(603979952);break;case 1610625028:case 1611141172:d="selectionHalos "+(this.vwr.getSelectionHalosEnabled()?"ON":"OFF");break;case 1612709894:d="set selectHetero "+this.vwr.getBoolean(1612709894);break;case 1073741828:d=JU.Escape.eAP(this.vwr.getAdditionalHydrogens(null,
null,768));break;case 1612709900:d="set selectHydrogens "+this.vwr.getBoolean(1612709900);break;case 553648130:case 553648138:case 536870924:case 553648176:case 553648172:case 1073741995:this.chk||(d=this.vwr.getLightingState());break;case 1073742136:case 4146:this.chk||(d=this.vwr.stm.listSavedStates());break;case 1814695966:this.chk||(d=3==(h=this.slen)?this.vwr.stm.getSavedUnitCell(this.paramAsStr(2)):this.vwr.getUnitCellInfoText());break;case 1073742329:if(2==(h=this.slen)){this.chk||(d=this.vwr.getCoordinateState(this.vwr.bsA()));
break}j=this.paramAsStr(2);this.chk||(d=this.vwr.stm.getSavedCoordinates(j));break;case 1073742158:!this.chk&&(null==a.outputBuffer&&null==f)&&this.vwr.sm.clearConsole();if(2==(h=this.slen)){this.chk||(d=this.vwr.getStateInfo());break}if(null!=f&&3==this.slen){this.chk||(d=this.vwr.getStateInfo());break}else if(1228935687==this.tokAt(2)&&4==(h=this.slen)){this.chk||(d=this.vwr.fm.getEmbeddedFileState(this.paramAsStr(3),!0,"state.spt"));break}h=3;j=this.paramAsStr(2);this.chk||(d=this.vwr.stm.getSavedState(j));
break;case 1639976963:if(2==(h=this.slen)){this.chk||(d=this.vwr.ms.getProteinStructureState(this.vwr.bsA(),134222350));break}j=this.paramAsStr(2);this.chk||(d=this.vwr.stm.getSavedStructure(j));break;case 134221834:m=3==(h=this.slen)?this.paramAsStr(2):null;this.chk||(n=this.vwr.getDataObj(m,null,-2),m=(j=null!=m&&"types".equals(m.toLowerCase()))||"*".equals(m),null==n?d="no data":N(n,"JU.Lst")?n=n.toArray(Array(n.size())):m||(d=n,d=JU.Escape.encapsulateData(d[0],d[1],d[3].intValue())),null==d&&
(d=n,j&&(d[1]=d[1].$replace("\n",",")),d=JU.Escape.e(d)));break;case 1073742330:h=3;d=a.setObjectProperty();break;case 1812599299:this.chk||(d=this.vwr.ms.getBoundBoxCommand(!0));break;case 12289:this.chk||(d="center "+JU.Escape.eP(this.vwr.tm.fixedRotationCenter));break;case 135176:this.chk||(d=this.getShapeProperty(22,"command"));break;case 1228935687:if(2==this.slen){this.chk||(null==f&&this.vwr.sm.clearConsole(),d=this.e.getCurrentModelFileAsString(null));null==d&&(d="<unavailable>");break}h=
3;c=this.paramAsStr(2);this.chk||(null==f&&this.vwr.sm.clearConsole(),d=this.vwr.getFileAsString3(c,!0,null));break;case 4115:d=1073742327==this.tokAt(2)&&0<(h=3)?this.vwr.getModelFileInfoAll():this.vwr.getModelFileInfo();break;case 1610616855:j=2==(h=this.slen)?2147483647:this.intParameter(2);1>j&&this.invArg();this.chk||(this.vwr.sm.clearConsole(),0==a.scriptLevel&&this.vwr.removeCommand(),d=this.vwr.getSetHistory(j));break;case 135180:this.chk||(d=this.getShapeProperty(24,"jvxlDataXml"));break;
case 1073877011:case 1073877010:a.optParameterAsString(2).equalsIgnoreCase("list")?(this.e.sm.loadShape(27),d=this.chk?"":this.getShapeProperty(27,"list -1"),h=3):(n=2==(h=this.slen)?-2147483648:this.intParameter(2),this.chk||(d=this.getMoJvxl(n,1073877011==j)));break;case 1094717454:this.chk||(d=this.vwr.ms.getModelInfoAsString());break;case 537006096:this.chk||(d=this.vwr.getMeasurementInfoAsString());break;case 1073741864:h=3;!this.chk&&this.slen==h&&(d=this.paramAsStr(2),d=this.vwr.getOrientation(JS.T.getTokFromName(d.equals("box")?
"volume":d.equals("rotation")?"best":d),"best",null,null).toString());break;case 1073742132:j=this.tokAt(2),0==j?j=1073742132:h=3;case 1073742178:case 4129:this.chk||(d=this.vwr.getOrientation(j,null,null,null).toString());break;case 1073742077:h=2;if(3<this.slen)break;switch(j=this.tokAt(2)){case 1073742178:case 1073742132:case 4129:case 0:this.chk||(d=this.vwr.getOrientation(j,null,null,null).toString());break;default:j=a.optParameterAsString(2),d=this.vwr.getOrientation(1073742034,j,null,null).toString()}h=
this.slen;break;case 1073742088:this.chk||(d=this.vwr.ms.getPDBHeader(this.vwr.am.cmi));break;case 1275068447:j=a.optParameterAsString(2);0==j.length&&(j=null);h=this.slen;this.chk||(d=this.vwr.ms.getPointGroupAsString(this.vwr.bsA(),"show:"+j,0,0,null,null,null));break;case 1088421903:this.chk||(d=this.vwr.ms.getSymmetryInfoAsString());break;case 1073742176:this.chk||(d="transform:\n"+this.vwr.tm.matrixRotate.toString());break;case 4168:d="zoom "+(this.vwr.tm.zoomEnabled?""+this.vwr.tm.getZoomSetting():
"off");break;case 1611272202:d=this.vwr.getShowFrank()?"frank ON":"frank OFF";break;case 1665140738:b="solventProbeRadius";break;case 1086324744:if(3==(h=this.slen)&&1073742334==this.tokAt(2))j=1086324743;case 1073741863:case 1086326788:case 1073742120:case 1113589787:case 1086324742:case 1153433601:case 1073741982:this.chk||(d=this.vwr.getChimeInfo(j));break;case 537022465:case 1610612738:case 20482:case 1612709912:c="?";break;case 1073742030:j=2==(h=this.slen)?null:this.paramAsStr(2);this.chk||
(d=this.vwr.getBindingInfo(j));break;case 1073742015:this.chk||(c=this.vwr.getMenu(""));break;case 1073741824:b.equalsIgnoreCase("fileHeader")&&(this.chk||(d=this.vwr.ms.getPDBHeader(this.vwr.am.cmi)));break;case 1073741992:case 36868:b=this.paramAsStr(h++),n=a.getParameter(b,1073742190,!0),this.chk||(d=1073741992==j?n.toJSON():n.escape())}this.checkLength(h+e);this.chk||(null!=d?this.showString(this.filterShow(d,f)):null!=c?this.showString(b+" = "+c):null!=b&&(0<=b.indexOf(" ")?this.showString(b):
this.showString(b+" = "+a.getParameter(b,1073742190,!0).escape())))});k(p,"filterShow",function(a,c){if(null==c)return a;var b=c.startsWith("!/");c=c.substring(b?2:1).toLowerCase();for(var f=JU.PT.split(a,"\n"),e=new JU.SB,d=0;d<f.length;d++)0>f[d].toLowerCase().indexOf(c)==b&&e.append(f[d]).appendC("\n");return e.toString()},"~S,~S");k(p,"stereo",function(){for(var a=J.c.STER.DOUBLE,c=-5,b=!1,f=null,e=0,d=1;d<this.slen;++d)if(this.e.isColorParam(d))1<e&&this.e.bad(),0==e&&(f=L(2,0)),b||(c=3),f[e]=
this.e.getArgbParam(d),0==e++&&(f[1]=~f[0]),d=this.e.iToken;else switch(this.getToken(d).tok){case 1073742335:this.e.checkLast(this.e.iToken=1);this.e.iToken=1;break;case 1073742334:this.e.checkLast(this.e.iToken=1);a=J.c.STER.NONE;break;case 2:case 3:c=this.floatParameter(d);b=!0;break;case 1073741824:if(b||(c=3),a=J.c.STER.getStereoMode(this.paramAsStr(d)),null!=a)break;default:this.invArg()}this.chk||this.vwr.setStereoMode(f,a,c)});k(p,"struts",function(){var a=this.e,c=1073742072==this.tokAt(1)||
1073742335==this.tokAt(1)||1==this.slen,b=a.getMadParameter();if(2147483647==b)return!1;c&&(b=Math.round(2E3*this.vwr.getFloat(570425406)));this.setShapeProperty(1,"type",Integer.$valueOf(32768));a.setShapeSizeBs(1,b,null);this.setShapeProperty(1,"type",Integer.$valueOf(1023));return!0});k(p,"unitcell",function(a,c){var b=this.e,f=2147483647,e=2147483647,d=null,j=b.tickParamAsStr(a,!0,!1,!1);a=b.iToken;var h=null,g=null,k=null,m=null,n=e=!1,p=!1,l=this.chk?null:this.vwr.getCurrentUnitCell(),z=this.tokAt(++a);
switch(z){case 1073742333:this.chk||this.vwr.ms.clearUnitCell(this.vwr.am.cmi);return;case 4142:case 4141:n=!0;d=JU.P4.new4(0,0,0,-1);b.iToken++;break;case 2097180:e=b.hklParameter(a+1,null,!1);z=b.getPointOrPlane(a+1,7);a=b.iToken;var q=NaN;this.isFloatParameter(a+1)&&(q=this.floatParameter(++a),268441090==this.tokAt(a+1)&&(q=-q/100,a++));var t=NaN,r=!1;this.isFloatParameter(a+1)&&(t=this.floatParameter(++a),268441090==this.tokAt(a+1)&&(r=!0,a++));var A=1073742172==this.tokAt(a+1);A&&a++;b.iToken=
a;if(this.chk)break;N(z,"JU.P3")?z=JU.P4.new4(z.x,z.y,z.z,0):Float.isNaN(t)&&(t=z.w);var g=this.getUVBoxFromHKL(l,z,e),m=new JU.P3,v=new JU.V3;JU.Measure.getPlaneProjection(new JU.P3,e,m,v);0<q?(g[3].normalize(),g[3].scale(q)):0>q&&g[3].scale(-q);!Float.isNaN(t)&&0!=t&&(r&&(t=t/100*g[3].length()),g[0].scaleAdd2(t,v,g[0]));A&&g[0].scaleAdd2(-g[3].length(),v,g[0]);m="surface"+F(z.x)+F(z.y)+F(z.z);break;case 536875059:case 1073742163:d=536875059==z?b.getPointOrPlane(++a,19):b.checkHKL(b.getFractionalPoint(++a));
a=b.iToken;if(this.chk)break;g=l.getUnitCellVectors();g[1].scale(Math.abs(d.x));g[2].scale(Math.abs(d.y));g[3].scale(Math.abs(d.z));d=null;m="supercell";break;case 1073741938:d=b.getFractionalPoint(++a);a=b.iToken;if(this.chk)break;d=JU.SimpleUnitCell.ptToIJK(b.checkHKL(d),1);break;case 135180:case 1073742330:h=b.objectNameParameter(++a);break;case 1812599299:b.iToken=a;if(this.chk)break;g=JU.P3.newP(this.vwr.getBoundBoxCenter());d=this.vwr.getBoundBoxCornerVector();g.sub(d);g=E(-1,[g,JU.P3.new3(2*
d.x,0,0),JU.P3.new3(0,2*d.y,0),JU.P3.new3(0,0,2*d.z)]);d=null;break;case 1073742176:12!=this.tokAt(++a)&&this.invArg();if(this.chk)break;k=E(-1,[this.getToken(a).value]);break;case 11:case 12:k=this.getToken(a).value;break;case 12289:switch(this.tokAt(++a)){case 12290:case 10:case 1073742325:d=this.vwr.ms.getAtomSetCenter(this.atomExpressionAt(a));a=b.iToken;if(this.chk)break;this.vwr.toFractional(d,!0);break;default:if(b.isCenterParameter(a)){d=this.centerParameter(a);a=b.iToken;break}this.invArg()}d.x-=
0.5;d.y-=0.5;d.z-=0.5;break;case 12290:case 10:case 1073742325:e=this.atomExpressionAt(a).nextSetBit(0);a=b.iToken;this.chk||this.vwr.setUnitCellAtomIndex(e);if(0>e)return;break;case 1073742066:if(e=!0,b.isAtomExpression(a+1)){d=b.centerParameter(++a,null);a=b.iToken;if(this.chk)break;this.vwr.toFractional(d,!1);break}case 1073742114:d=b.getFractionalPoint(++a);if(N(d,"JU.P4"))e&&this.invArg();else{a=b.iToken;if(this.chk)break;d=!e&&555>d.x?JU.SimpleUnitCell.ptToIJK(b.checkHKL(d),1):JU.P4.new4(d.x,
d.y,d.z,e?1:0)}break;case 3:case 2:if(111>this.floatParameter(a)){a--;break}f=this.intParameter(a);break;case 4:case 1073741824:q=this.paramAsStr(a).toLowerCase();if(q.equals("rhombohedral")||q.equals("r")){if(null!=l&&0==l.getUnitCellInfoType(8))return;q="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"}else if(q.equals("trigonal")||q.equals("hexagonal")){if(null!=l&&0==l.getUnitCellInfoType(9))return;q="a-b,b-c,a+b+c"}m=q;if(0<=q.indexOf(",")||this.chk){k=q;break}e=null;this.vwr.ms.setModelCagePts(-1,
null,null);k=this.vwr.getModelInfo("unitcell_conventional");z=null!=this.vwr.getModelInfo("isprimitive");if(JU.PT.isOneOf(m,";parent;standard;primitive;")){if(null==k&&z){this.showString("Cannot convert unit cell when file data is primitive and have no lattice information");return}m.equals("primitive")&&4==this.tokAt(a+1)&&(e=this.paramAsStr(++a).toUpperCase())}N(k,Array)&&(g=k);null==e&&(e=this.vwr.getModelInfo("latticeType"));null!=k&&(this.vwr.ms.setModelCagePts(-1,this.vwr.getV0abc(-1,k),""+k),
k=null);if(!m.equals("conventional"))if(this.setShapeProperty(34,"labels",null),q=this.vwr.getModelInfo("unitcell_"+m),null==q){if((q=m.equals("primitive"))||m.equals("reciprocal")){t=this.slen==a+1?1:2==this.tokAt(a+1)?3.141592653589793*this.intParameter(++a):this.floatParameter(++a);m=(null==l?"":l.getSpaceGroupName()+" ")+m;g=null==l?E(-1,[JU.P3.new3(0,0,0),JU.P3.new3(1,0,0),JU.P3.new3(0,1,0),JU.P3.new3(0,0,1)]):l.getUnitCellVectors();null==e&&(e=this.vwr.getSymmetryInfo(this.vwr.getFrameAtoms().nextSetBit(0),
null,0,null,null,null,1073741994,null,0,-1,0,null));null==l&&(l=this.vwr.getSymTemp());z||l.toFromPrimitive(!0,0==e.length?"P":e.charAt(0),g,this.vwr.getCurrentModelAuxInfo().get("primitiveToCrystal"));q||JU.SimpleUnitCell.getReciprocal(g,g,t);break}}else m=q,0<=q.indexOf(",")&&(k=q);break;default:e=Array(1),this.getUnitCellParameter(a,e)?g=e[0]:k=e[0],null==k&&null==g?this.slen>a+1?(d=b.getFractionalPoint(a),a=b.iToken):a--:null!=k?(!this.chk&&c&&(null==l?this.assignSpaceGroup(null,"P1",k,!1,!1,
"unitcell"):l.fixUnitCell(k)&&b.invArgStr("Unit cell is incompatible with current space group")),a=b.iToken):null!=g&&(a=b.iToken)}c&&1073742080==this.tokAt(a+1)&&(p=!0,a=++b.iToken);e=b.getSetAxesTypeMad10(++a);b.checkLast(b.iToken);if(!(this.chk||2147483647==e)){2147483647==e&&this.vwr.am.setUnitCellAtomIndex(-1);null==g&&null!=k&&(g=this.vwr.getV0abc(-1,k));if(2147483647!=f)null!=l&&l.setOffset(f);else if(null!=h)this.vwr.setCurrentCage(h);else if(n||null!=g)if(n=c||null==l?this.vwr.getModelkit(!1).transformAtomsToUnitCell(l,
g,m):!0){if(c&&null!=l){this.vwr.ms.setSpaceGroup(this.vwr.am.cmi,l.getUnitCell(g,!1,null),null);return}this.vwr.ms.setModelCagePts(-1,g,m);null==l&&this.vwr.setNewRotationCenter(this.vwr.getUnitCellCenter())}b.setObjectMad10(33,"unitCell",e);null!=d&&(l=this.vwr.ms.getUnitCell(-2147483648),null!=l&&l.setOffsetPt(d));c&&null==l.getFractionalOffset(!0)&&(l=this.vwr.ms.getUnitCell(-1-this.vwr.am.cmi),this.assignSpaceGroup(this.vwr.getModelUndeletedAtomsBitSet(this.vwr.am.cmi),l.getSpaceGroupClegId(),
null,p,!1,this.e.fullCommand));null!=j&&this.setShapeProperty(33,"tickInfo",j);null!=m&&this.showString(m+(null==g?"":" "+JU.Escape.e(g)))}},"~N,~B");k(p,"getUVBoxFromHKL",function(a,c,b){var f=F(c.x),e=F(c.y),d=F(c.z);for((0==f&&0==e&&0==d||f!=c.x||e!=c.y||d!=c.z)&&this.invArg();0==f%2&&0==e%2&&0==d%2;)f/=2,e/=2,d/=2;c=a.getUnitCellVectors();for(var j=b.w,h=JU.P4.new4(b.x,b.y,b.z,0),g=Math.max(Math.max(f,e),d),g=JU.Measure.getLatticePoints(a.getLatticeCentering(),g,g,g),k=g.size();0<=--k;)a.toCartesian(g.get(k),
!0);for(var g=JU.Measure.getPointsOnPlane(g.toArray(Array(g.size())),h),h=new JU.P3,k=-179,m=3.4028235E38,n=3.4028235E38,p=a=null,l=k,z=3.4028235E38,q,t,r,A,v=g.size();0<=--v;){var C=g.get(v);q=C.length();r=!1;if(!(0.01>q||null!=a&&(l=Math.abs(JU.Measure.computeTorsion(a,h,b,C,!0)))>-k))if(A=1>l,null==a)a=C,m=q;else{if(q<m-0.01)r=!0,l=z=3.4028235E38;else if(q<n-0.01)z=3.4028235E38;else if(!(q>=n+0.01))continue;r||(t=89<l)&&q<m+0.1&&-0.01<=C.x&&0.01>=C.y&&(3.4028235E38==z||89>z)?(A?(p=null,n=3.4028235E38):
(p=a,n=m),a=C,m=q,!r&&l<z&&(z=l)):t&&q<n+0.1&&(p=C,n=q,l<z&&(z=l))}}null==a&&this.invArg();t=null;if(null==p)for(v=g.size();0<=--v;)C=g.get(v),l=JU.Measure.computeTorsion(a,h,b,C,!0),-89.9>l&&l>k+0.01&&(k=l,t=C);else l=JU.Measure.computeTorsion(a,h,b,p,!0),1<l?(t=a,a=p):t=p;null==t&&this.invArg();c[1]=t;c[2]=a;b=1==((0>f?1:0)+(0>e?1:0)+(0>d?1:0))%2;g=c[3];h=JU.P3.newP(t);k=JU.P3.newP(a);0==f&&0==e?(k.scale(-1),h.scale(-1),c[1]=h,c[2]=k):!(0==f&&0==d)&&(0==e&&0==d)&&(h.scale(-1),k.scale(-1),c[1]=k,
c[2]=h);b&&(h=c[1],c[1]=c[2],c[2]=h);g.cross(a,t);g.normalize();g.scale(j);return c},"J.api.SymmetryInterface,JU.P4,JU.P4");k(p,"modelkit",function(){var a=0,c=this.tokAt(1);switch(c){case 603984065:case 4139:this.chk&&this.e.cmdUndoRedo(603984065==c?4165:4140);return;case 1073742334:if(this.e.$isStateScript&&this.vwr.getModelkit(!1).setProperty("updatekeysfromstate",null),2==this.slen&&null==this.vwr.getModelkitPropertySafely("exists"))return;case 0:case 1073742335:this.chk||this.vwr.setBooleanProperty("modelkitmode",
1073742334!=c);if(0==this.tokAt(a+1))return;a=++this.e.iToken;break;case 4126:0>this.vwr.am.cmi&&this.e.errorStr(30,"MODELKIT MINIMIZE");this.minimize(!0);return;case 528432:case 4145:this.e.cmdRotate(!1,!0);return;case 4098:++this.e.iToken;case 134217764:case 4106:case 12291:case 1275069441:case 4129:case 1073742080:case 12297:case 135176:this.assign(!0);return;case 4130:++this.e.iToken;this.mutate();return}for(var b=this.vwr.getModelkit(!1);0!=(c=this.tokAt(++a));){var f=this.paramAsStr(a).toLowerCase(),
e=null;switch(c){case 1073742335:case 1073742334:this.chk||(this.vwr.setBooleanProperty("modelkitmode",1073742335==c),1073742334==c&&this.vwr.setStringProperty("picking","identify"));continue;case 1610625028:case 12294:f="hidden";e=Boolean.$valueOf(1610625028!=c);break;case 12293:var f="constraint",e="",d=c=null,j=null;switch(this.tokAt(++a)){case 1073742334:case 1073742333:this.chk||this.vwr.setBooleanProperty("dragPicking",!1);break;case 135198:c=this.e.getPoint3f(++a,!0,!0);a=this.e.iToken;d=this.e.getPoint3f(++a,
!0,!0);e=null;break;case 134219777:j=this.e.hklParameter(++a,null,!0);e=null;break;case 134217750:j=this.e.planeParameter(++a,!1);e=null;break;default:this.invArg()}null==e?((null==c||null==d)==(null==j)&&this.invArg(),e=E(-1,[c,d,j])):e=null;a=this.e.iToken;break;case 36867:f=this.paramAsStr(++a);e=0==this.tokAt(++a)?"true":this.paramAsStr(a);break;case 4166:f="vibration";switch(this.tokAt(++a)){case 1073742334:e="off";break;case 1086324754:e="wyckoff";break;default:this.invArg()}break;case 1296041985:switch(this.tokAt(++a)){case 4:case 1073742333:e=
this.paramAsStr(a);break;case 12:e=this.getToken(a).value;break;case 2:e=Integer.$valueOf(this.getToken(a).intValue);break;default:this.e.isCenterParameter(a)?(f="center",e=this.e.centerParameter(a,null),a=this.e.iToken):this.invArg()}break;case 1073742066:if(e=this.paramAsStr(a+1),e.equals("none")){++a;break}case 134217751:case 12289:e=this.e.atomCenterOrCoordinateParameter(++a,null);a=this.e.iToken;break;case 1073742024:e=this.paramAsStr(++a).toLowerCase();this.vwr.isModelKitOption("M",e)||this.invArg();
break;case 1814695966:if(this.e.isArrayParameter(a+1)){this.unitcell(2,!0);return}e=4==this.tokAt(a+1)?this.paramAsStr(++a).toLowerCase():null;if(null==e||!this.vwr.isModelKitOption("U",e)){this.unitcell(2,!0);return}break;case 1088421903:e=this.paramAsStr(++a).toLowerCase();this.vwr.isModelKitOption("S",e)||this.invArg();break;default:if(this.vwr.isModelKitOption("B",f)){e=Boolean.$valueOf(0==(c=this.tokAt(++a))||1073742335==c);break}if(this.vwr.isModelKitOption("M",f)){e=f;f="mode";break}if(this.vwr.isModelKitOption("U",
f)){e=f;f="unitcell";break}this.invArg()}!this.chk&&(null!=e&&null!=(e=b.setProperty(f,e))&&"hidden"!==f&&!b.isHidden())&&this.vwr.showString("modelkit SET "+f+" "+e.toString(),!1)}});k(p,"assign",function(a){0>this.vwr.am.cmi&&this.invArg();var c=this.vwr.getThisModelAtoms(),b=++this.e.iToken,f=!1,e=!1,d=this.tokAt(b);135176==d&&(134217764!=this.tokAt(2)&&this.invArg(),f=!0,d=12297);if(12297==d&&(a||this.invArg(),e=!0,d=this.tokAt(++b),0==d))return;var j=1153433601==d,h=1677721602==d,g=1275069441==
d,k=4106==d,m=12291==d,n=4129==d,p=134217764==d,l=1073742080==d;(l||p)&&!a&&this.invArg();j||h||k||p||m||n||g||l?b++:(j=!0,d=1153433601);var z=-1,q=-1;a=null;if(h){if(2==this.tokAt(b))z=this.e.intParameter(b);else if(N(this.getToken(b).value,"JM.BondSet"))z=this.getToken(b).value.nextSetBit(0);else switch(a=this.expFor(b,c),z=a.nextSetBit(0),a.cardinality()){case 1:a=this.expFor(++this.e.iToken,c),q=a.nextSetBit(0),0>q&&this.invArg(),a.set(z);case 2:a=this.vwr.ms.getBondsForSelectedAtoms(a,!1);a.isEmpty()?
(k=!0,d=4106):z=a.nextSetBit(0);break;default:this.invArg()}b=++this.e.iToken}else if(l)a=c;else if(!(j&&4==this.tokAt(b)||1275069441==d))if(!p||this.e.isAtomExpression(b)){a=this.expFor(b,c);z=a.nextSetBit(0);if(0>z)return;b=++this.e.iToken}var m=this.vwr.getOperativeSymmetry(),t=h=null,r=null,A=null,v=null;if(g)switch(this.e.isAtomExpression(b)?(a=this.expFor(++this.e.iToken,c),b=this.e.iToken,h=this.e.optParameterAsString(b+1),b=this.e.iToken,h.toLowerCase().equals("packed")&&(l=!0,h="")):1086324754==
this.e.tokAt(b)?(this.e.iToken=b-1,h="O"):h=this.e.optParameterAsString(b),this.e.isPoint3f(this.e.iToken+1)?t=this.getPoint3f(++this.e.iToken,!0):this.e.isArrayParameter(this.e.iToken+1)&&(v=this.e.getPointArray(this.e.iToken+1,-1,!1,!0)),0==h.length&&(h=null),this.tokAt(this.e.iToken+1)){case 1073742080:l=!0;++this.e.iToken;break;case 1086324754:++this.e.iToken,r=this.paramAsStr(++this.e.iToken),c=r.equalsIgnoreCase("all")?"L":r.equalsIgnoreCase("general")?"G":1<r.length||0==r.length?"\x00":r.charAt(0),
("a">c&&"A"!=c&&"G"!=c&&"L"!=c||"z"<c)&&this.invArg(),r=""+c,"packed".equals(this.e.optParameterAsString(this.e.iToken+1))&&(l=!0,++this.e.iToken)}else n?(this.e.isArrayParameter(b)?v=this.e.getPointArray(b,-1,!1,!0):t=this.getPoint3f(b,!0),b=this.e.iToken):p?(h=this.e.optParameterAsString(b),0==h.length&&(h="."),m=this.vwr.getOperativeSymmetry(),h.equals(".")&&(h=null==m?"P1":b==this.slen?null:m.getSpaceGroupClegId()),"packed".equalsIgnoreCase(h)&&(l=!0,h=m.getSpaceGroupClegId()),1814695966==this.tokAt(this.e.iToken+
1)&&(A=Array(1),this.getUnitCellParameter(this.e.iToken+2,A),A=A[0],null==A&&this.invArg()),!l&&1073742080==this.tokAt(this.e.iToken+1)&&(l=!0,++this.e.iToken)):k?0>q&&(a=this.expFor(b,c),q=a.nextSetBit(0),h=this.e.optParameterAsString(++this.e.iToken)):(h=this.e.optParameterAsString(b),j&&(t=++this.e.iToken<this.slen?this.centerParameter(this.e.iToken):null));if(!this.chk)switch(this.vwr.pushState(),d){case 1153433601:this.e.clearDefinedVariableAtomSets();this.vwr.getModelkit(!1).cmdAssignAtom(a,
t,h,this.e.fullCommand);break;case 1677721602:this.vwr.getModelkit(!1).cmdAssignBond(z,(h+"-").charAt(0),this.e.fullCommand);break;case 4106:this.vwr.getModelkit(!1).cmdAssignConnect(z,q,(h+"1").charAt(0),this.e.fullCommand);break;case 1073742080:h=null;case 1275069441:case 1086324754:null==v&&(null!=t?v=E(-1,[t]):null==a&&null==r&&(null==h?this.invArg():r="G"));f=this.vwr.getModelkit(!1).cmdAssignAddAtoms(h+(null!=r?":"+r:""),v,a,l?"packed":"",this.e.fullCommand);this.e.doReport()&&this.e.report(J.i18n.GT.i(J.i18n.GT.$("{0} atoms added"),
f),!1);break;case 12291:f=this.vwr.getModelkit(!1).cmdAssignDeleteAtoms(a);this.e.doReport()&&this.e.report(J.i18n.GT.i(J.i18n.GT.$("{0} atoms deleted"),f),!1);break;case 4129:f=this.vwr.getModelkit(!1).cmdAssignMoveAtoms(a,z,JU.P3.newP(t),v,!0,!1);0<f&&this.vwr.checkCoordinatesChanged(a);this.e.doReport()&&this.e.report(J.i18n.GT.i(J.i18n.GT.$("{0} atoms moved"),f),!1);break;case 134217764:e&&(this.vwr.zap(!1,!1,!1),m=null);if(l&&h.equalsIgnoreCase("packed"))h=null,null==m&&this.invArg();else{if(!l){for(d=
e=b+1;d<this.slen;d++)if(1073742080==this.tokAt(d)){l=!0;e=d;break}e<this.slen&&(h=null)}null==h&&(h=this.concatString(b,l?"packed":"unitcell"));if(0<h.length&&0>h.indexOf(":")&&0>h.indexOf(">")&&(0<h.indexOf(",")||0<="rh".indexOf(h)))null==m&&this.invArg(),b=m.getSpaceGroupClegId(),h=b.substring(0,b.indexOf(":")+1)+h}f=this.assignSpaceGroup(a,h,A,l,f,this.e.fullCommand);f.endsWith("!")&&this.e.invArgStr(f);this.e.doReport()&&this.e.showString(f)}},"~B");k(p,"assignSpaceGroup",function(a,c,b,f,e,
d){var j=new JU.SB;a=this.vwr.getSymStatic().staticTransformSpaceGroup(a,c,b,j);if(a.endsWith("!"))return a;(f||e)&&this.vwr.getModelkit(!1).cmdAssignSpaceGroup(a,j,d,f,e);return j.toString()},"JU.BS,~S,~O,~B,~B,~S");k(p,"concatString",function(a,c){for(var b="";a<this.slen;a++){var f=JS.SV.sValue(this.e.getToken(a));if(f.equals(c)){this.e.iToken--;break}b+=f}return b},"~N,~S");k(p,"getUnitCellParameter",function(a,c){c[0]=null;if(8==this.tokAt(a))return!1;var b=this.e.iToken;if(4==this.tokAt(a)){var b=
this.paramAsStr(a),f=this.vwr.getCurrentUnitCell();null==f&&this.invArg();this.chk||(c[0]=f.getV0abc(b,null));return!0}if(this.e.isArrayParameter(a)){this.e.ignoreError=!0;if(1073742332!=this.tokAt(a+2))try{return c[0]=this.e.floatParameterSet(a,6,6),this.e.ignoreError=!1}catch(e){if(!P(e,Exception))throw e;}try{c[0]=this.e.getPointArray(a,4,!1,!0)}catch(d){if(P(d,Exception))this.e.iToken=b;else throw d;}this.e.ignoreError=!1}return!0},"~N,~A");k(p,"expFor",function(a,c){var b=JU.BS.copy(this.atomExpressionAt(a));
b.and(c);return b},"~N,JU.BS");k(p,"getContext",function(a){for(var c=new JU.SB,b=this.e.thisContext;null!=b;)a?null!=b.vars&&(c.append(this.getScriptID(b)),c.append(JV.StateManager.getVariableList(b.vars,80,!0,!1))):c.append(JS.ScriptError.getErrorLineMessage(b.functionName,b.scriptFileName,this.e.getLinenumber(b),b.pc,JS.ScriptEval.statementAsString(this.vwr,b.statement,-9999,this.e.debugHigh))),b=b.parentContext;a?null!=this.e.contextVariables&&(c.append(this.getScriptID(null)),c.append(JV.StateManager.getVariableList(this.e.contextVariables,
80,!0,!1))):c.append(this.e.getErrorLineMessage2());return c.toString()},"~B");k(p,"getIsosurfaceJvxl",function(a,c){switch(c){case "PMESH":case "MESH":c="jvxlMeshX";break;case "ISOMESH":c="pmesh";break;case "ISOMESHBIN":case "PMB":c="pmeshbin";break;case "ISOPLY":c="ply";break;case "ISOPLYBIN":case "PLB":c="plybin";break;default:c="jvxlDataXml"}return this.chk?"":this.getShapeProperty(a,c)},"~N,~S");k(p,"getMoJvxl",function(a,c){var b=c?28:27;this.e.sm.loadShape(b);var f=this.vwr.am.cmi;0>f&&this.e.errorStr(30,
"show/write MO/NBO");var e=this.vwr.ms.getInfo(f,"moData");null==e&&this.error(27);var d=this.getShapeProperty(b,"moNumber");(null==d||0==d.intValue())&&this.setShapeProperty(b,"init",Integer.$valueOf(f));this.setShapeProperty(b,"moData",e);return this.e.sm.getShapePropertyIndex(b,"showMO",a)},"~N,~B");k(p,"getScriptID",function(a){return"\n# "+(null==a?this.e.functionName:"function "+a.functionName)+" (file "+(null==a?this.e.scriptFileName:a.scriptFileName)+(null==a?"":" context "+a.id)+")\n"},"JS.ScriptContext");
k(p,"tokenAt",function(a,c){return a<c.length?c[a]:null},"~N,~A");p.tokAtArray=k(p,"tokAtArray",function(a,c){return a<c.length&&null!=c[a]?c[a].tok:0},"~N,~A");k(p,"getPlotMinMax",function(a,c,b){if(null==a)return 0;switch(b){case 1111490568:case 1111490569:case 1111490570:return c?180:-180;case 1111490565:case 1111490576:return c?360:0;case 1111490574:return c?1:-1}b=c?-1E10:1E10;for(var f=a.length;0<=--f;){var e=a[f];Float.isNaN(e)||c==e>b&&(b=e)}return b},"~A,~B,~N");k(p,"parseDataArray",function(a,
c){a=JU.Parser.fixDataString(a);var b=JU.Parser.markLines(a,"\n"),f=b.length;if(!c){for(var e=JU.AU.newFloat2(f),d=0,j=0;d<f;j=b[d++])j=JU.PT.getTokens(a.substring(j,b[d])),JU.PT.parseFloatArrayData(j,e[d]=Q(j.length,0));return e}j=JU.PT.getTokens(a.substring(0,b[0]));if(3!=j.length)return Q(0,0,0,0);var h=JU.PT.parseInt(j[0]),g=JU.PT.parseInt(j[1]),k=JU.PT.parseInt(j[2]);if(1>h||1>g||1>k)return Q(1,1,1,0);for(var e=JU.AU.newFloat3(h,g),m=0,n=0,d=1,j=b[0];d<f&&m<h;j=b[d++])j=JU.PT.getTokens(a.substring(j,
b[d])),j.length<k||(JU.PT.parseFloatArrayData(j,e[m][n]=Q(j.length,0)),++n==g&&(m++,n=0));return m!=h?(System.out.println("Error reading 3D data -- nX = "+h+", but only "+m+" blocks read"),Q(1,1,1,0)):e},"~S,~B");k(p,"getBitsetPropertyFloat",function(a,c,b,f,e){c=null==b||1086325010==c||1111490843==c?this.e.getBitsetProperty(a,null,c,null,null,b,null,!1,2147483647,!1):this.vwr.getDataObj(b,a,1);if(null==c||!JU.AU.isAF(c))return null==a?null:Q(a.cardinality(),0);if(!Float.isNaN(f))for(a=0;a<c.length;a++)c[a]<
f&&(c[a]=NaN);if(!Float.isNaN(e))for(a=0;a<c.length;a++)c[a]>e&&(c[a]=NaN);return c},"JU.BS,~N,~S,~N,~N");p.labeler=null})})(Clazz,Clazz.getClassName,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage,Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,Clazz.newIntArray,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,
Clazz.newByteArray,Clazz.declareInterface,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined,Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs,Clazz.floatToShort,Clazz.superCall,Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,Clazz.isAB,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,
Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod,Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals);
