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"cssFloat":"styleFloat"},style:function(a,b,c,e){if(a&&!(3===a.nodeType||8===a.nodeType||!a.style)){var f,h,j,p=d.camelCase(b),l=a.style;b=d.cssProps[p]||(d.cssProps[p]=Zb(l,p));j=d.cssHooks[b]||d.cssHooks[p];if(void 0!==c){h=typeof c;if("string"===h&&(f=Jd.exec(c)))c=(f[1]+1)*f[2]+parseFloat(d.css(a,b)),h="number";if(!(null==c||c!==c))if("number"===h&&!d.cssNumber[p]&&(c+="px"),!s.clearCloneStyle&&(""===c&&0===b.indexOf("background"))&&(l[b]="inherit"),!j||!("set"in j)||void 0!==(c=j.set(a,c,e)))try{l[b]=
"",l[b]=c}catch(r){}}else return j&&"get"in j&&void 0!==(f=j.get(a,!1,e))?f:l[b]}},css:function(a,b,c,e){var f,h;h=d.camelCase(b);b=d.cssProps[h]||(d.cssProps[h]=Zb(a.style,h));(h=d.cssHooks[b]||d.cssHooks[h])&&"get"in h&&(f=h.get(a,!0,c));void 0===f&&(f=ka(a,b,e));"normal"===f&&b in Kc&&(f=Kc[b]);return""===c||c?(a=parseFloat(f),!0===c||d.isNumeric(a)?a||0:f):f}});d.each(["height","width"],function(a,b){d.cssHooks[b]={get:function(a,c,e){if(c)return 0===a.offsetWidth&&Id.test(d.css(a,"display"))?
d.swap(a,Kd,function(){return dc(a,b,e)}):dc(a,b,e)},set:function(a,c,e){var f=e&&ja(a);return bc(a,c,e?cc(a,b,e,s.boxSizing()&&"border-box"===d.css(a,"boxSizing",!1,f),f):0)}}});s.opacity||(d.cssHooks.opacity={get:function(a,b){return Hd.test((b&&a.currentStyle?a.currentStyle.filter:a.style.filter)||"")?0.01*parseFloat(RegExp.$1)+"":b?"1":""},set:function(a,b){var c=a.style,e=a.currentStyle,f=d.isNumeric(b)?"alpha(opacity="+100*b+")":"",h=e&&e.filter||c.filter||"";c.zoom=1;if((1<=b||""===b)&&""===
d.trim(h.replace(Lb,""))&&c.removeAttribute)if(c.removeAttribute("filter"),""===b||e&&!e.filter)return;c.filter=Lb.test(h)?h.replace(Lb,f):h+" "+f}});d.cssHooks.marginRight=Yb(s.reliableMarginRight,function(a,b){if(b)return d.swap(a,{display:"inline-block"},ka,[a,"marginRight"])});d.each({margin:"",padding:"",border:"Width"},function(a,b){d.cssHooks[a+b]={expand:function(c){var d=0,e={};for(c="string"===typeof c?c.split(" "):[c];4>d;d++)e[a+ia[d]+b]=c[d]||c[d-2]||c[0];return e}};Jc.test(a)||(d.cssHooks[a+
b].set=bc)});d.fn.extend({css:function(a,b){return oa(this,function(a,b,g){var c,e={},f=0;if(d.isArray(b)){g=ja(a);for(c=b.length;f<c;f++)e[b[f]]=d.css(a,b[f],!1,g);return e}return void 0!==g?d.style(a,b,g):d.css(a,b)},a,b,1<arguments.length)},show:function(){return ac(this,!0)},hide:function(){return ac(this)},toggle:function(a){return"boolean"===typeof a?a?this.show():this.hide():this.each(function(){Ba(this)?d(this).show():d(this).hide()})}});d.Tween=I;I.prototype={constructor:I,init:function(a,
b,c,e,f,h){this.elem=a;this.prop=c;this.easing=f||"swing";this.options=b;this.start=this.now=this.cur();this.end=e;this.unit=h||(d.cssNumber[c]?"":"px")},cur:function(){var a=I.propHooks[this.prop];return a&&a.get?a.get(this):I.propHooks._default.get(this)},run:function(a){var b,c=I.propHooks[this.prop];this.pos=this.options.duration?b=d.easing[this.easing](a,this.options.duration*a,0,1,this.options.duration):b=a;this.now=(this.end-this.start)*b+this.start;this.options.step&&this.options.step.call(this.elem,
this.now,this);c&&c.set?c.set(this):I.propHooks._default.set(this);return this}};I.prototype.init.prototype=I.prototype;I.propHooks={_default:{get:function(a){if(null!=a.elem[a.prop]&&(!a.elem.style||null==a.elem.style[a.prop]))return a.elem[a.prop];a=d.css(a.elem,a.prop,"");return!a||"auto"===a?0:a},set:function(a){if(d.fx.step[a.prop])d.fx.step[a.prop](a);else a.elem.style&&(null!=a.elem.style[d.cssProps[a.prop]]||d.cssHooks[a.prop])?d.style(a.elem,a.prop,a.now+a.unit):a.elem[a.prop]=a.now}}};I.propHooks.scrollTop=
I.propHooks.scrollLeft={set:function(a){a.elem.nodeType&&a.elem.parentNode&&(a.elem[a.prop]=a.now)}};d.easing={linear:function(a){return a},swing:function(a){return 0.5-Math.cos(a*Math.PI)/2}};d.fx=I.prototype.init;d.fx.step={};var ra,fb,Ld=/^(?:toggle|show|hide)$/,Lc=RegExp("^(?:([+-])=|)("+Ya+")([a-z%]*)$","i"),Md=/queueHooks$/,Ma=[function(a,b,c){var e,f,h,j,p,l,r=this,q={},k=a.style,n=a.nodeType&&Ba(a),z=d._data(a,"fxshow");c.queue||(j=d._queueHooks(a,"fx"),null==j.unqueued&&(j.unqueued=0,p=j.empty.fire,
j.empty.fire=function(){j.unqueued||p()}),j.unqueued++,r.always(function(){r.always(function(){j.unqueued--;d.queue(a,"fx").length||j.empty.fire()})}));if(1===a.nodeType&&("height"in b||"width"in b))c.overflow=[k.overflow,k.overflowX,k.overflowY],f=d.css(a,"display"),l=Wb(a.nodeName),"none"===f&&(f=l),"inline"===f&&"none"===d.css(a,"float")&&(!s.inlineBlockNeedsLayout||"inline"===l?k.display="inline-block":k.zoom=1);c.overflow&&(k.overflow="hidden",s.shrinkWrapBlocks()||r.always(function(){k.overflow=
c.overflow[0];k.overflowX=c.overflow[1];k.overflowY=c.overflow[2]}));for(e in b)if(f=b[e],Ld.exec(f)){delete b[e];h=h||"toggle"===f;if(f===(n?"hide":"show"))if("show"===f&&z&&void 0!==z[e])n=!0;else continue;q[e]=z&&z[e]||d.style(a,e)}if(!d.isEmptyObject(q))for(e in z?"hidden"in z&&(n=z.hidden):z=d._data(a,"fxshow",{}),h&&(z.hidden=!n),n?d(a).show():r.done(function(){d(a).hide()}),r.done(function(){var b;d._removeData(a,"fxshow");for(b in q)d.style(a,b,q[b])}),q)b=fc(n?z[e]:0,e,r),e in z||(z[e]=b.start,
n&&(b.end=b.start,b.start="width"===e||"height"===e?1:0))}],Ca={"*":[function(a,b){var c=this.createTween(a,b),e=c.cur(),f=Lc.exec(b),h=f&&f[3]||(d.cssNumber[a]?"":"px"),j=(d.cssNumber[a]||"px"!==h&&+e)&&Lc.exec(d.css(c.elem,a)),p=1,l=20;if(j&&j[3]!==h){h=h||j[3];f=f||[];j=+e||1;do p=p||".5",j/=p,d.style(c.elem,a,j+h);while(p!==(p=c.cur()/e)&&1!==p&&--l)}f&&(j=c.start=+j||+e||0,c.unit=h,c.end=f[1]?j+(f[1]+1)*f[2]:+f[2]);return c}]};d.Animation=d.extend(gc,{tweener:function(a,b){d.isFunction(a)?(b=
a,a=["*"]):a=a.split(" ");for(var c,e=0,f=a.length;e<f;e++)c=a[e],Ca[c]=Ca[c]||[],Ca[c].unshift(b)},prefilter:function(a,b){b?Ma.unshift(a):Ma.push(a)}});d.speed=function(a,b,c){var e=a&&"object"===typeof a?d.extend({},a):{complete:c||!c&&b||d.isFunction(a)&&a,duration:a,easing:c&&b||b&&!d.isFunction(b)&&b};e.duration=d.fx.off?0:"number"===typeof e.duration?e.duration:e.duration in d.fx.speeds?d.fx.speeds[e.duration]:d.fx.speeds._default;if(null==e.queue||!0===e.queue)e.queue="fx";e.old=e.complete;
e.complete=function(){d.isFunction(e.old)&&e.old.call(this);e.queue&&d.dequeue(this,e.queue)};return e};d.fn.extend({fadeTo:function(a,b,c,d){return this.filter(Ba).css("opacity",0).show().end().animate({opacity:b},a,c,d)},animate:function(a,b,c,e){var f=d.isEmptyObject(a),h=d.speed(b,c,e);b=function(){var b=gc(this,d.extend({},a),h);(f||d._data(this,"finish"))&&b.stop(!0)};b.finish=b;return f||!1===h.queue?this.each(b):this.queue(h.queue,b)},stop:function(a,b,c){var e=function(a){var b=a.stop;delete a.stop;
b(c)};"string"!==typeof a&&(c=b,b=a,a=void 0);b&&!1!==a&&this.queue(a||"fx",[]);return this.each(function(){var b=!0,g=null!=a&&a+"queueHooks",f=d.timers,h=d._data(this);if(g)h[g]&&h[g].stop&&e(h[g]);else for(g in h)h[g]&&(h[g].stop&&Md.test(g))&&e(h[g]);for(g=f.length;g--;)if(f[g].elem===this&&(null==a||f[g].queue===a))f[g].anim.stop(c),b=!1,f.splice(g,1);(b||!c)&&d.dequeue(this,a)})},finish:function(a){!1!==a&&(a=a||"fx");return this.each(function(){var b,c=d._data(this),e=c[a+"queue"];b=c[a+"queueHooks"];
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fadeIn:{opacity:"show"},fadeOut:{opacity:"hide"},fadeToggle:{opacity:"toggle"}},function(a,b){d.fn[a]=function(a,c,d){return this.animate(b,a,c,d)}});d.timers=[];d.fx.tick=function(){var a,b=d.timers,c=0;for(ra=d.now();c<b.length;c++)a=b[c],!a()&&b[c]===a&&b.splice(c--,1);b.length||d.fx.stop();ra=void 0};d.fx.timer=function(a){d.timers.push(a);a()?d.fx.start():d.timers.pop()};d.fx.interval=13;d.fx.start=function(){fb||(fb=setInterval(d.fx.tick,d.fx.interval))};d.fx.stop=function(){clearInterval(fb);
fb=null};d.fx.speeds={slow:600,fast:200,_default:400};d.fn.delay=function(a,b){a=d.fx?d.fx.speeds[a]||a:a;return this.queue(b||"fx",function(b,c){var g=setTimeout(b,a);c.stop=function(){clearTimeout(g)}})};var gb,fa,Mb,Nb,Ja=v.createElement("div");Ja.setAttribute("className","t");Ja.innerHTML="  <link/><table></table><a href='/a'>a</a><input type='checkbox'/>";gb=Ja.getElementsByTagName("a")[0];Mb=v.createElement("select");Nb=Mb.appendChild(v.createElement("option"));fa=Ja.getElementsByTagName("input")[0];
gb.style.cssText="top:1px";s.getSetAttribute="t"!==Ja.className;s.style=/top/.test(gb.getAttribute("style"));s.hrefNormalized="/a"===gb.getAttribute("href");s.checkOn=!!fa.value;s.optSelected=Nb.selected;s.enctype=!!v.createElement("form").enctype;Mb.disabled=!0;s.optDisabled=!Nb.disabled;fa=v.createElement("input");fa.setAttribute("value","");s.input=""===fa.getAttribute("value");fa.value="t";fa.setAttribute("type","radio");s.radioValue="t"===fa.value;var Nd=/\r/g;d.fn.extend({val:function(a){var b,
c,e,f=this[0];if(arguments.length)return e=d.isFunction(a),this.each(function(c){if(1===this.nodeType&&(c=e?a.call(this,c,d(this).val()):a,null==c?c="":"number"===typeof c?c+="":d.isArray(c)&&(c=d.map(c,function(a){return null==a?"":a+""})),b=d.valHooks[this.type]||d.valHooks[this.nodeName.toLowerCase()],!b||!("set"in b)||void 0===b.set(this,c,"value")))this.value=c});if(f){if((b=d.valHooks[f.type]||d.valHooks[f.nodeName.toLowerCase()])&&"get"in b&&void 0!==(c=b.get(f,"value")))return c;c=f.value;
return"string"===typeof c?c.replace(Nd,""):null==c?"":c}}});d.extend({valHooks:{option:{get:function(a){var b=d.find.attr(a,"value");return null!=b?b:d.text(a)}},select:{get:function(a){for(var b,c=a.options,e=a.selectedIndex,f=(a="select-one"===a.type||0>e)?null:[],h=a?e+1:c.length,j=0>e?h:a?e:0;j<h;j++)if(b=c[j],(b.selected||j===e)&&(s.optDisabled?!b.disabled:null===b.getAttribute("disabled"))&&(!b.parentNode.disabled||!d.nodeName(b.parentNode,"optgroup"))){b=d(b).val();if(a)return b;f.push(b)}return f},
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{set:function(a,b,c){if(d.nodeName(a,"input"))a.defaultValue=b;else return ya&&ya.set(a,b,c)}};pa||(ya={set:function(a,b,c){var d=a.getAttributeNode(c);d||a.setAttributeNode(d=a.ownerDocument.createAttribute(c));d.value=b+="";if("value"===c||b===a.getAttribute(c))return b}},ga.id=ga.name=ga.coords=function(a,b,c){var d;if(!c)return(d=a.getAttributeNode(b))&&""!==d.value?d.value:null},d.valHooks.button={get:function(a,b){var c=a.getAttributeNode(b);if(c&&c.specified)return c.value},set:ya.set},d.attrHooks.contenteditable=
{set:function(a,b,c){ya.set(a,""===b?!1:b,c)}},d.each(["width","height"],function(a,b){d.attrHooks[b]={set:function(a,c){if(""===c)return a.setAttribute(b,"auto"),c}}}));s.style||(d.attrHooks.style={get:function(a){return a.style.cssText||void 0},set:function(a,b){return a.style.cssText=b+""}});var Od=/^(?:input|select|textarea|button|object)$/i,Pd=/^(?:a|area)$/i;d.fn.extend({prop:function(a,b){return oa(this,d.prop,a,b,1<arguments.length)},removeProp:function(a){a=d.propFix[a]||a;return this.each(function(){try{this[a]=
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d.each(["href","src"],function(a,b){d.propHooks[b]={get:function(a){return a.getAttribute(b,4)}}});s.optSelected||(d.propHooks.selected={get:function(a){if(a=a.parentNode)a.selectedIndex,a.parentNode&&a.parentNode.selectedIndex;return null}});d.each("tabIndex readOnly maxLength cellSpacing cellPadding rowSpan colSpan useMap frameBorder contentEditable".split(" "),function(){d.propFix[this.toLowerCase()]=this});s.enctype||(d.propFix.enctype="encoding");var Pb=/[\t\r\n\f]/g;d.fn.extend({addClass:function(a){var b,
c,e,f,h,j=0,p=this.length;b="string"===typeof a&&a;if(d.isFunction(a))return this.each(function(b){d(this).addClass(a.call(this,b,this.className))});if(b)for(b=(a||"").match(V)||[];j<p;j++)if(c=this[j],e=1===c.nodeType&&(c.className?(" "+c.className+" ").replace(Pb," "):" ")){for(h=0;f=b[h++];)0>e.indexOf(" "+f+" ")&&(e+=f+" ");e=d.trim(e);c.className!==e&&(c.className=e)}return this},removeClass:function(a){var b,c,e,f,h,j=0,p=this.length;b=0===arguments.length||"string"===typeof a&&a;if(d.isFunction(a))return this.each(function(b){d(this).removeClass(a.call(this,
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c._mousePageY;this.container.css({top:c._mousePageY+"px",left:c._mousePageX+"px"})},b.mouseMove=function(b){if(this.isDragging&&c._mouseOwner==this){this.timestamp=System.currentTimeMillis();var f=this.pageX0+(b.pageX-this.pageX);b=this.pageY0+(b.pageY-this.pageY);c._mousePageX=f;c._mousePageY=b;this.container.css({top:b+"px",left:f+"px"})}},b.dragBind=function(b){this.applet._ignoreMouse=!b;this.container.unbind("mousemoveoutjsmol");this.container.unbind("touchmoveoutjsmol");this.container.unbind("mouseupoutjsmol");
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u.register=function(b,c){b.id=c+ ++u.count;u.htDialogs[b.id]=b};u.setDialog=function(b){c._setMouseOwner(null);c.$remove(b.id);var e=b.id+"_mover",f=c._$(e),h;f[0]?(f.html(b.html),h=f[0].jd):(c.$after("body","<div id='"+e+"' style='position:absolute;left:0px;top:0px;'>"+b.html+"</div>"),h=new u.JSDialog,f=c._$(e),b.container=f,h.applet=b.manager.vwr.html5Applet,h.setContainer(f),h.dialog=b,h.setPosition(),h.dragBind(!0),f[0].jd=h);c.$bind("#"+b.id+" .JButton","mousedown touchstart",function(){h.ignoreMouse=
!0});c.$bind("#"+b.id+" .JComboBox","mousedown touchstart",function(){h.ignoreMouse=!0});c.$bind("#"+b.id+" .JCheckBox","mousedown touchstart",function(){h.ignoreMouse=!0});c.$bind("#"+b.id+" .JTextField","mousedown touchstart",function(){h.ignoreMouse=!0});c.$bind("#"+b.id+" .JTable","mousedown touchstart",function(){h.ignoreMouse=!0});c.$bind("#"+b.id+" .JScrollPane","mousedown touchstart",function(){h.ignoreMouse=!0});c.$bind("#"+b.id+" .JEditorPane","mousedown touchstart",function(){h.ignoreMouse=
!0})};u.setSelected=function(b){c.$prop(b.id,"checked",!!b.selected)};u.setSelectedIndex=function(b){c.$prop(b.id,"selectedIndex",b.selectedIndex)};u.setText=function(b){c.$prop(b.id,"value",b.text)};u.setVisible=function(b){c.$setVisible(b.id,b._visible)};u.setEnabled=function(b){c.$setEnabled(b.id,b.enabled)};u.click=function(b,e){var f=u.htDialogs[b.id];if(f){var h=f.toString();if(0<=h.indexOf("JCheck"))f.selected=b.checked;else if(0<=h.indexOf("JCombo"))f.selectedIndex=b.selectedIndex;else if(null!=
f.text&&(f.text=b.value,e&&13!=(e.charCode||e.keyCode)))return}h=u.htDialogs[c.$getAncestorDiv(b.id,"JDialog").id];h.manager.actionPerformed(f?f.name:h.registryKey+"/"+b.id)};u.setFront=function(b){var e=b.manager.vwr.html5Applet;b.zIndex!=c._getZ(e,"dialog")&&(b.zIndex=c._incrZ(e,"dialog"));b.container&&((b.container[0]||b.container).style.zIndex=b.zIndex)};u.hideMenus=function(b){if(b=b._menus)for(var c in b)b[c]._visible&&u.hideMenu(b[c])};u.windowClosing=function(b){b=u.htDialogs[c.$getAncestorDiv(b.id,
"JDialog").id];b.registryKey?b.manager.processWindowClosing(b.registryKey):b.dispose()};c._track=function(b){if(c._tracker){try{var e='<iframe style="display:none" width="0" height="0" frameborder="0" tabindex="-1" src="'+(c._tracker+"&applet="+b._jmolType+"&version="+c._version+"&appver="+c.___JmolVersion+"&url="+encodeURIComponent(document.location.href))+'"></iframe>';c.$after("body",e)}catch(f){}delete c._tracker}return b};var w;c.getProfile=function(b){if(self.Clazz&&self.JSON)return w||Clazz._startProfiling(w=
0==arguments.length||b),Clazz.getProfile()};c._getInChIKey=function(b,c){0<=c.indexOf("MOL=")&&c.split("MOL=")[1].split('"')};c._getAttr=function(b,c){var f=b.indexOf(c+"=");return 0<=f&&0<=(f=b.indexOf('"',f))?b.substring(f+1,b.indexOf('"',f+1)):null};c.User={viewUpdatedCallback:null};c.View={count:0,applets:{},sets:{}};(function(b){b.resetView=function(b,f){debugger;if(f){if(f._viewSet){var h=c.View.applets[f._viewSet];for(b in h)b!=f&&c.View.resetView(b)}}else b&&(b._reset(),c.View.updateView(b))};
b.updateView=function(e,f){if(null!=e._viewSet){f||(f={});f.chemID||(e._searchQuery=null);f.data||(f.data="N/A");f.type=e._viewType;if(null==(e._currentView=b.__findView(e._viewSet,f)))e._currentView=b.__createViewSet(e._viewSet,f.chemID,f.viewID||f.chemID);e._currentView[f.type].data=f.data;e._currentView[f.type].smiles=e._getSmiles();c.User.viewUpdatedCallback&&c.User.viewUpdatedCallback(e,"updateView");b.__setView(e._currentView,e,!1)}};b.updateFromSync=function(e,f){e._updateMsg=f;var h=c._getAttr(f,
"sourceID")||c._getAttr(f,"file");if(h){var j=b.__findView(e._viewSet,{viewID:h});if(null==j)return c.updateView(e,f);j!=e._currentView&&b.__setView(j,e,!0);var l=(h=c._getAttr(f,"atoms"))&&0<=f.indexOf("selectionhalos ON")?eval("["+h+"]"):[];setTimeout(function(){e._currentView==j&&b.updateAtomPick(e,l)},10);c.User.viewUpdatedCallback&&c.User.viewUpdatedCallback(e,"updateFromSync")}};b.updateAtomPick=function(b,f){var h=b._currentView;if(null!=h){for(var j in h)"info"!=j&&h[j].applet!=b&&h[j].applet._updateAtomPick(f);
c.User.viewUpdatedCallback&&c.User.viewUpdatedCallback(b,"updateAtomPick")}};b.dumpViews=function(c){var f=b.sets[c];if(f){var h="View set "+c+":\n";c=b.applets[c];for(var j in c)h+="\napplet "+c[j]._id+" currentView="+(c[j]._currentView?c[j]._currentView.info.viewID:null);for(j=f.length;0<=--j;){c=f[j];var h=h+("\n\n<b>view="+j+" viewID="+c.info.viewID+" chemID="+c.info.chemID+"</b>\n"),l,k;for(k in c)"info"!=k&&(h+="\nview="+j+" type="+k+" applet="+((l=c[k]).applet?l.applet._id:null)+" SMILES="+
l.smiles+"\n atomMap="+JSON.stringify(l.atomMap)+"\n data=\n"+l.data+"\n")}return h}};b.__init=function(c){var f=c._viewSet,h=b.applets;h[f]||(h[f]={});h[f][c._viewType]=c};b.__findView=function(c,f){var h=b.sets[c];null==h&&(h=b.sets[c]=[]);for(var j=h.length;0<=--j;){var l=h[j];if(f.viewID){if(l.info.viewID==f.viewID)return l}else{if(null!=f.chemID&&f.chemID==l.info.chemID)return l;for(var k in l)if("info"!=k&&(null!=f.data&&null!=l[k].data?f.data==l[k].data:f.type==k))return l}}return null};b.__createViewSet=
function(e,f,h){b.count++;f={info:{chemID:f,viewID:h||"model_"+b.count}};for(var j in c._applets)h=c._applets[j],h._viewSet==e&&(f[h._viewType]={applet:h,data:null});b.sets[e].push(f);return f};b.__setView=function(b,c,h){for(var j in b)if("info"!=j){var l=b[j],k=l.applet,q=h||null!=k&&"<modified>"==k._molData;if(!(null==k||k==c&&!q)){var n=null==l.data,u=null!=k._currentView;k._currentView=b;if(!u||!(b[j].data==l.data&&!n&!q))if(k._loadModelFromView(b),n)break}}}})(c.View);c.Cache={fileCache:{}};
c.Cache.get=function(b){return c.Cache.fileCache[b]};c.Cache.put=function(b,e){c.Cache.fileCache[b]=e};c.Cache.setDragDrop=function(b,e){c.$appEvent(b,e,"dragover",function(b){b=b.originalEvent;b.stopPropagation();b.preventDefault();b.dataTransfer.dropEffect="copy"});c.$appEvent(b,e,"drop",function(f){var h=f.originalEvent;h.stopPropagation();h.preventDefault();var j=h.dataTransfer.files[0];if(null==j)try{j=""+h.dataTransfer.getData("text"),(0==j.indexOf("file:/")||0==j.indexOf("http:/")||0==j.indexOf("https:/"))&&
b._scriptLoad(j)}catch(l){}else h=new FileReader,h.onloadend=function(h){if(h.target.readyState==FileReader.DONE){var l="cache://DROP_"+j.name;h=Clazz.newByteArray(-1,h.target.result);if("console_input"==e)l=String.instantialize(h),c.$(b,e).val(0>l.indexOf("\x00")?l:h.length+" bytes");else{l.endsWith(".spt")||b._appletPanel.cacheFileByName("cache://DROP_*",!1);"JSV"==b._viewType||l.endsWith(".jdx")?c.Cache.put(l,h):b._appletPanel.cachePut(l,h);h=c._jsGetXY(b._canvas,f);var k=[null];h&&(!b._appletPanel.setStatusDragDropped||
b._appletPanel.setStatusDragDropped(0,h[0],h[1],l,k))&&b._appletPanel.openFileAsyncSpecialType(l,1,k[0])}}},h.readAsArrayBuffer(j)})}})(Jmol,jQuery);Jmol._debugCode=!1;Jmol._grabberOptions=[["$","NCI(small molecules)"],[":","PubChem(small molecules)"]];Jmol.say=function(c){alert(c)};
Jmol._TMApplet=function(c,k,h){this._uniqueId=(""+Math.random()).substring(3);this._id=c;this._is2D=!0;this._isJava=!1;this._ready=!0;this._mouseDown=!1;this._jmolType="Jmol._Canvas2D (TwirlyMol)";if(h)return this;this._createCanvas(c,k);return this};
Jmol._TMApplet._getApplet=function(c,k,h){if(!Jmol.featureDetection.allowHTML5)return null;h||(h=!1);k||(k={});Jmol._addDefaultInfo(k,{color:"#FFFFFF",width:300,height:300,addSelectionOptions:!1,serverURL:"http://your.server.here/jsmol.php",defaultModel:"",readyFunction:null,use:"HTML5",bondWidth:5,shadeAtoms:!1,zoomScaling:1.5,pinchScaling:2,mouseDragFactor:0.5,touchDragFactor:0.15,multipleBondSpacing:4,spinRateX:0,spinRateY:0.5,spinFPS:20,spin:!1,noscript:!0,debug:!1});k=new Jmol._TMApplet(c,k,
h);return h?k:Jmol._registerApplet(c,k)};Jmol.getTMApplet=Jmol._TMApplet._getApplet;
(function(c){c._CPK="#FF1493 #FFFFFF #D9FFFF #CC80FF #C2FF00 #FFB5B5 #909090 #3050F8 #FF0D0D #90E050 #B3E3F5 #AB5CF2 #8AFF00 #BFA6A6 #F0C8A0 #FF8000 #FFFF30 #1FF01F #80D1E3 #8F40D4 #3DFF00 #E6E6E6 #BFC2C7 #A6A6AB #8A99C7 #9C7AC7 #E06633 #F090A0 #50D050 #C88033 #7D80B0 #C28F8F #668F8F #BD80E3 #FFA100 #A62929 #5CB8D1 #702EB0 #00FF00 #94FFFF #94E0E0 #73C2C9 #54B5B5 #3B9E9E #248F8F #0A7D8C #006985 #C0C0C0 #FFD98F #A67573 #668080 #9E63B5 #D47A00 #940094 #429EB0 #57178F #00C900".split(" ");c._elem="X H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Th Pa U Np Pu Am Cm Bk Cf Es".split(" ");
c._elemNo={};var k=c.prototype;k.spin=function(c){this.__Info.spin=c;this._spin(c)};k._spin=function(c){this._spinThread&&clearTimeout(this._spinThread);if(0==this.spinFPS||0==this.spinRateX&&0==this.spinRateY)c=!1;if(c){var j=this;c=1E3/this.spinFPS;this._mouseDown||(this._rotate(this.spinRateY,this.spinRateX),this._draw());this._spinThread=setTimeout(function(){j._spin(!0)},c)}};k._initParams=function(){this.zoom=this.__Info.defaultZoom||100;this.doSpin=this.__Info.spin||!1;this.center2D=[this._canvas.width/
2,this._canvas.height/2,0];this._getCenterAndRadius();this.rotation=new c.M3;this.shadeAtoms=!1;this._setParams()};k._setParams=function(){this.bondWidth=this.__Info.bondWidth||5;this.zoomScaling=this.__Info.zoomScaling||1.5;this.pinchScaling=this.__Info.pinchScaling||1;this.mouseDragFactor=this.__Info.mouseDragFactor||0.5;this.touchDragFactor=this.__Info.touchDragFactor||0.15;this.multipleBondSpacing=this.__Info.multipleBondSpacing||4;this.spinRateX=this.__Info.spinRateX||0;this.spinRateY=this.__Info.spinRateY||
0;this.spinFPS=this.__Info.spinFPS||0;var c=this.shadeAtoms;(this.shadeAtoms=this.__Info.shadeAtoms||!1)&&!c&&this._setAtomShades()};k._setAtomShades=function(){if(this.atoms)for(var c=this.atoms.length;0<=--c;)this.atoms[c].color50=this._getColor(this.atoms[c].color,0.5)};k._createCanvas=function(c,j){Jmol._setObject(this,c,j);this._color=this._color.replace(/0x/,"#");var l=Jmol._getWrapper(this,!0);Jmol._document?(Jmol._documentWrite(l),this._createCanvas2d(!1),l=""):l+='<script type="text/javascript">'+
c+"._createCanvas2d(false)\x3c/script>";l+=Jmol._getWrapper(this,!1);j.addSelectionOptions&&(l+=Jmol._getGrabberOptions(this,""));Jmol._debugAlert&&!Jmol._document&&alert(l);this._code=Jmol._documentWrite(l)};k._createCanvas2d=function(c){var j=document.createElement("canvas"),l=Jmol.$(this,"appletdiv");c&&(l[0].removeChild(this._canvas),Jmol._jsUnsetMouse(this._canvas));c=Math.round(l.width());var k=Math.round(l.height());j.applet=this;this._canvas=j;j.style.width="100%";j.style.height="100%";j.width=
c;j.height=k;j.id=this._id+"_canvas2d";l.append(j);setTimeout(this._id+"._start()",10)};k._start=function(){Jmol._jsSetMouse(this._canvas);this._defaultModel?Jmol._search(this,this._defaultModel,this._readyScript?this._readyScript:""):this._src&&this._loadFile(this._src);this._showInfo(!0);this._showInfo(!1)};k._search=function(c,j){Jmol._search(this,c,j)};k._searchDatabase=function(c,j,l){this._showInfo(!1);0<=c.indexOf("?")?Jmol._getInfoFromDatabase(this,j,c.split("?")[0]):this._loadFile(j+c,l)};
k.__loadModel=function(c){this._spin(!1);"''"==c&&(c=this._mol);c?(this._parse(c),this._initParams(),this._draw(),this._showInfo(!1),this.doSpin&&this._spin(!0)):alert("No model data.")};k._showInfo=function(c){Jmol.$html(Jmol.$(this,"infoheaderspan"),this._infoHeader);this._info&&Jmol.$html(Jmol.$(this,"infodiv"),this._info);!this._isInfoVisible!=!c&&(this._isInfoVisible=c,Jmol.$setVisible(Jmol.$(this,"infotablediv"),c),Jmol.$setVisible(Jmol.$(this,"infoheaderdiv"),c),this._show(!c))};k._show=function(c){Jmol.$setVisible(Jmol.$(this,
"appletdiv"),c);c&&this._draw()};k._resize=function(){var c="__resizeTimeout_"+this._id;Jmol[c]&&clearTimeout(Jmol[c]);var j=this;Jmol[c]=setTimeout(function(){j._draw();Jmol[c]=null},100)};k._canScript=function(){return!0};k._script=function(c){for(var j=c.split(";"),l=0;l<j.length;l++)c=j[l].trim(),"image"==c?window.open(this._canvas.toDataURL("image/png")):0==c.indexOf("load ")?this._loadFile(c.substring(5).trim()):0==c.indexOf("spin ")&&this.spin(0>c.toLowerCase().indexOf("off"))};k._loadFile=
function(c){this._showInfo(!1);this._thisJmolModel=c;var j=this;Jmol._loadFileData(this,c,function(c){j.__loadModel(c)})};k._processEvent=function(c,j){switch(c){case 502:case 503:this._mouseDown=!1;default:return;case 501:this._mouseX=j[0];this._mouseY=j[1];this._mouseDown=!0;return;case 506:var l=j[0]-this._mouseX,k=j[1]-this._mouseY,l=0>l?-1:0<l?1:0,k=0>k?-1:0<k?1:0;switch(j[2]){case 17:this._zoomBy(k);break;case 24:this.center2D[0]+=l;this.center2D[1]+=k;break;default:this._rotate(l,k)}this._mouseX=
j[0];this._mouseY=j[1];break;case -1:this._zoomBy(j[1])}this._draw()};k._processGesture=function(h){if(!(2>h[0].length)){var j=h[0],l=h[1],k=j[0],n=j[l.length-1];h=k[0];var u=n[0],k=k[1],n=n[1],w=[u-h,n-k,0],b=c._length(w),e=l[0],f=l[l.length-1],l=e[0],p=f[0],e=e[1],f=f[1],r=[p-l,f-e,0],F=c._length(r);3>b||3>F||(c._scale(w,1/b),c._scale(r,1/F),w=c._dot(w,r),0.8<w?(h=Math.round(u-j[j.length-2][0]),j=Math.round(n-j[j.length-2][1]),this.center2D[0]+=h,this.center2D[1]+=j):-0.8>w&&(w=[l-h,e-k,0],r=[p-
u,f-n,0],j=c._length(r)-c._length(w),this.zoom+=(0>j?-1:1)*this.pinchScaling),this._draw())}};k._zoomBy=function(c){this.zoom+=c*this.zoomScaling;5>this.zoom&&(this.zoom=5);500<this.zoom&&(this.zoom=500)};k._getRotationScaling=function(){return[1/Math.max(this._canvas.width,500)*this.mouseDragFactor*c.deg_per_radian,1/Math.max(this._canvas.height,500)*this.mouseDragFactor*c.deg_per_radian]};k._rotate=function(h,j){var l=this._getRotationScaling();j&&(c._m3.rotX(j*l[1]),this.rotation.mul(c._m3));h&&
(c._m3.rotY(h*l[0]),this.rotation.mul(c._m3))};k._getCenterAndRadius=function(){Math.min(this._canvas.width,this._canvas.height);for(var h=[999999,999999,999999],j=[-999999,-999999,-999999],l=this.atoms.length;0<=--l;)for(var k=3;0<=--k;){var n=this.atoms[l].xyz[k];n<h[k]&&(h[k]=n);n>j[k]&&(j[k]=n)}n=[0,0,0];for(k=3;0<=--k;)n[k]=(j[k]+h[k])/2;h=0;for(l=this.atoms.length;0<=--l;)j=this.atoms[l],j=c._distance(j.xyz,n)+(1==j.elemNo?1:1.5),j>h&&(h=j);this.center=n;this.modelRadius=0==h?10:h};k._setScreenCoords=
function(){for(var c=this.center,j=this.rotation,l=this.center2D,k=Math.min(this._canvas.width,this._canvas.height)/2/this.modelRadius*this.zoom/100,n=this.atoms.length;0<=--n;){var u=this.atoms[n];this._transform(u.xyz,u.sxyz,c,j,k,l);u.srad=k*u.radius}for(n=this.bonds.length;0<=--n;)u=this.bonds[n],this._transform(u.xyz,u.sxyz,c,j,k,l),this._transform(u.pts[0],u.spts[0],c,j,k,l),this._transform(u.pts[1],u.spts[1],c,j,k,l)};k._transform=function(h,j,l,k,n,u){for(var w=c._temp1,b=c._temp2,e=3;0<=
--e;)w[e]=(h[e]-l[e])*n;k.transform(w,b);b[1]=-b[1];b[2]=-b[2];for(e=3;0<=--e;)j[e]=b[e]+u[e]};k._parse=function(c){this._parseSDF(c)};k._parseSDF=function(h){this._mol=h;if(!c._elemNo.H)for(var j=c._elem.length;0<=--j;)c._elemNo[c._elem[j]]=j;h=h.split("\n");var l=3,k=h[l++];this.nAtoms=parseFloat(k.substring(0,3));this.nBonds=parseFloat(k.substring(3,6));this.atoms=Array(this.nAtoms);this.bonds=Array(this.nBonds);this.elements=Array(this.nAtoms+this.nBonds);for(var n=0,u,w,b,j=0;j<this.nAtoms;j++){k=
h[l++];u=parseFloat(k.substring(0,10));w=parseFloat(k.substring(10,20));b=parseFloat(k.substring(20,30));var k=k.substring(31,34).replace(/\s+/g,""),k=c._elemNo[k]||0,e=1==k?0.23:0.35,f=c._CPK[k]||c._CPK[0];this.elements[n++]=this.atoms[j]={type:0,elemNo:k,xyz:[u,w,b],sxyz:[0,0,0],radius:e,color:f,color50:f}}for(j=0;j<this.nBonds;j++){k=h[l++];u=this.atoms[parseFloat(k.substring(0,3))-1];w=this.atoms[parseFloat(k.substring(3,6))-1];b=Math.abs(parseFloat(k.substring(6,9)));switch(b){case 4:case 5:case 6:case 8:b=
1;break;case 7:b=2}k=c._getPointAlong(u.xyz,w.xyz,0.5);f=c._distance(u.xyz,k);e=u.radius<f?c._getPointAlong(u.xyz,k,u.radius/f):[0,0,99999];f=w.radius<f?c._getPointAlong(w.xyz,k,w.radius/f):[0,0,99999];this.elements[n++]=this.bonds[j]={type:1,atoms:[u,w],xyz:k,pts:[e,f],sxyz:[0,0,0],spts:[[0,0,0],[0,0,0]],order:b,color:0}}};k._getColor=function(c,j){"#FFFFFF"==c&&(c="#D0D0D0");var l=parseInt("0x"+c.substring(1),16),k=l>>16&255,n=l>>8&255,l=l&255;255!=k&&(k+=Math.floor((255-k)*j));255!=n&&(n+=Math.floor((255-
n)*j));255!=l&&(l+=Math.floor((255-l)*j));k="000000"+(k<<16|n<<8|l).toString(16);return"#"+k.substring(k.length-6,k.length)};k._draw=function(){if(this.atoms){this._setParams();this._setScreenCoords();var h=this.elements;h.sort(c._zorder);var j=this._canvas.getContext("2d");j.fillStyle=this._color;j.fillRect(0,0,this._canvas.width,this._canvas.height);for(var l=h.length;0<=--l;){var k=h[l];0==k.type?this._drawAtom(j,k):this._drawBond(j,k)}}};k._drawAtom=function(h,j){h.beginPath();if(this.shadeAtoms){var l=
j.srad/4,l=h.createRadialGradient(j.sxyz[0]-l,j.sxyz[1]-l,l,j.sxyz[0],j.sxyz[1],j.srad);l.addColorStop(0,j.color50);l.addColorStop(1,"#FFFFFF"==j.color?"#D0D0D0":j.color);h.fillStyle=l;h.arc(j.sxyz[0],j.sxyz[1],j.srad,0,c._pi2);h.fill()}else h.fillStyle=j.color,h.arc(j.sxyz[0],j.sxyz[1],j.srad,0,c._pi2),h.fill(),h.strokeStyle="#000000",h.lineWidth=1,h.stroke()};k._drawBond=function(c,j){99999!=j.pts[0][2]&&this._drawBondLines(c,j,j.spts[0],j.atoms[0].color);99999!=j.pts[1][2]&&this._drawBondLines(c,
j,j.spts[1],j.atoms[1].color)};k._drawBondLines=function(h,j,l,k){var n=c._temp;n.width=this.bondWidth;n.color=j.color?j.color:k;if(1==j.order)n.pt1=l,n.pt2=j.sxyz,this._drawLine(h,n);else{n.pt1=c._temp1;n.pt2=c._temp2;n.pta=l;n.ptb=j.sxyz;n.dx=n.ptb[0]-n.pta[0];n.dy=n.ptb[1]-n.pta[1];n.mag2d=Math.round(Math.sqrt(n.dx*n.dx+n.dy*n.dy));n.bondOrder=j.order;for(this._resetAxisCoordinates(n);0<n.bondOrder;)this._drawLine(h,n),n.bondOrder--,this._stepAxisCoordinates(n)}};k._drawLine=function(c,j){c.beginPath();
c.strokeStyle=j.color;c.moveTo(j.pt1[0],j.pt1[1]);c.lineTo(j.pt2[0],j.pt2[1]);c.lineWidth=j.width;c.stroke()};k._resetAxisCoordinates=function(c){var j=c.mag2d>>3;1!=this.multipleBondSpacing&&(j*=this.multipleBondSpacing);j=c.width+j;c.dxStep=Math.round(j*c.dy/c.mag2d);c.dyStep=Math.round(j*-c.dx/c.mag2d);c.pt1[0]=c.pta[0];c.pt1[1]=c.pta[1];c.pt2[0]=c.ptb[0];c.pt2[1]=c.ptb[1];j=c.bondOrder-1;c.pt1[0]-=Math.round(c.dxStep*j/2);c.pt1[1]-=Math.round(c.dyStep*j/2);c.pt2[0]-=Math.round(c.dxStep*j/2);c.pt2[1]-=
Math.round(c.dyStep*j/2)};k._stepAxisCoordinates=function(c){c.pt1[0]+=c.dxStep;c.pt1[1]+=c.dyStep;c.pt2[0]+=c.dxStep;c.pt2[1]+=c.dyStep};c._distance=function(c,j){for(var l=0,k=3;0<=--k;)var n=c[k]-j[k],l=l+n*n;return Math.sqrt(l)};c._dot=function(c,j){for(var l=0,k=3;0<=--k;)l+=c[k]*j[k];return l};c._setPt=function(c,j){for(var k=3;0<=--k;)j[k]=c[k];return j};c._scale=function(c,j){for(var k=3;0<=--k;)c[k]*=j};c._length=function(c){for(var j=0,k=3;0<=--k;)j+=c[k]*c[k];return Math.sqrt(j)};c._getPointAlong=
function(c,j,k){return[(j[0]-c[0])*k+c[0],(j[1]-c[1])*k+c[1],(j[2]-c[2])*k+c[2]]};c._zorder=function(c,j){var k=c.sxyz[2],q=j.sxyz[2];return k<q?-1:k>q?1:0};c.M3=function(){this.m00=1;this.m10=this.m02=this.m01=0;this.m11=1;this.m21=this.m20=this.m12=0;this.m22=1};c.M3.prototype.set=function(c,j,k,q,n,u,w,b,e){this.m00=c;this.m01=j;this.m02=k;this.m10=q;this.m11=n;this.m12=u;this.m20=w;this.m21=b;this.m22=e};c.M3.prototype.transform=function(c,j){j[0]=this.m00*c[0]+this.m01*c[1]+this.m02*c[2];j[1]=
this.m10*c[0]+this.m11*c[1]+this.m12*c[2];j[2]=this.m20*c[0]+this.m21*c[1]+this.m22*c[2]};c.M3.prototype.rotX=function(c){var j=Math.cos(c);c=Math.sin(c);this.m00=1;this.m10=this.m02=this.m01=0;this.m11=j;this.m12=-c;this.m20=0;this.m21=c;this.m22=j};c.M3.prototype.rotY=function(c){var j=Math.cos(c);c=Math.sin(c);this.m00=j;this.m01=0;this.m02=c;this.m10=0;this.m11=1;this.m12=0;this.m20=-c;this.m21=0;this.m22=j};c.M3.prototype.mul=function(c){this.set(c.m00*this.m00+c.m01*this.m10+c.m02*this.m20,
c.m00*this.m01+c.m01*this.m11+c.m02*this.m21,c.m00*this.m02+c.m01*this.m12+c.m02*this.m22,c.m10*this.m00+c.m11*this.m10+c.m12*this.m20,c.m10*this.m01+c.m11*this.m11+c.m12*this.m21,c.m10*this.m02+c.m11*this.m12+c.m12*this.m22,c.m20*this.m00+c.m21*this.m10+c.m22*this.m20,c.m20*this.m01+c.m21*this.m11+c.m22*this.m21,c.m20*this.m02+c.m21*this.m12+c.m22*this.m22)};c._pi2=2*Math.PI;c.deg_per_radian=180/Math.PI;c._z3=[0,0,0];c._temp1=[0,0,0];c._temp2=[0,0,0];c._temp={};c._m3=new c.M3})(Jmol._TMApplet);
