// // ChemDoodle Web Components 4.6.0 // // http://web.chemdoodle.com // // Copyright 2009 iChemLabs, LLC. All rights reserved. // // This program is free software: you can redistribute it and/or modify // it under the terms of the GNU General Public License as published by // the Free Software Foundation, either version 3 of the License, or // (at your option) any later version. // // As a special exception to the GPL, any HTML file in a public website // or any free web service which merely makes function calls to this // code, and for that purpose includes it by reference, shall be deemed // a separate work for copyright law purposes. If you modify this code, // you may extend this exception to your version of the code, but you // are not obligated to do so. If you do not wish to do so, delete this // exception statement from your version. // // As an additional exception to the GPL, you may distribute this // packed form of the code without the copy of the GPL license normally // required, provided you include this license notice and a URL through // which recipients can access the corresponding unpacked source code. // // This program is distributed in the hope that it will be useful, // but WITHOUT ANY WARRANTY; without even the implied warranty of // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. 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a.As.jmolColor="#BD80E3";a.Se.jmolColor="#FFA100";a.Br.jmolColor="#A62929";a.Kr.jmolColor="#5CB8D1";a.Rb.jmolColor="#702EB0";a.Sr.jmolColor="#00FF00";a.Y.jmolColor="#94FFFF";a.Zr.jmolColor="#94E0E0";a.Nb.jmolColor="#73C2C9";a.Mo.jmolColor="#54B5B5";a.Tc.jmolColor="#3B9E9E";a.Ru.jmolColor="#248F8F";a.Rh.jmolColor="#0A7D8C";a.Pd.jmolColor="#006985";a.Ag.jmolColor="#C0C0C0";a.Cd.jmolColor="#FFD98F";a.In.jmolColor="#A67573";a.Sn.jmolColor="#668080";a.Sb.jmolColor="#9E63B5";a.Te.jmolColor="#D47A00";a.I.jmolColor= "#940094";a.Xe.jmolColor="#429EB0";a.Cs.jmolColor="#57178F";a.Ba.jmolColor="#00C900";a.La.jmolColor="#70D4FF";a.Ce.jmolColor="#FFFFC7";a.Pr.jmolColor="#D9FFC7";a.Nd.jmolColor="#C7FFC7";a.Pm.jmolColor="#A3FFC7";a.Sm.jmolColor="#8FFFC7";a.Eu.jmolColor="#61FFC7";a.Gd.jmolColor="#45FFC7";a.Tb.jmolColor="#30FFC7";a.Dy.jmolColor="#1FFFC7";a.Ho.jmolColor="#00FF9C";a.Er.jmolColor="#00E675";a.Tm.jmolColor="#00D452";a.Yb.jmolColor="#00BF38";a.Lu.jmolColor="#00AB24";a.Hf.jmolColor="#4DC2FF";a.Ta.jmolColor="#4DA6FF"; a.W.jmolColor="#2194D6";a.Re.jmolColor="#267DAB";a.Os.jmolColor="#266696";a.Ir.jmolColor="#175487";a.Pt.jmolColor="#D0D0E0";a.Au.jmolColor="#FFD123";a.Hg.jmolColor="#B8B8D0";a.Tl.jmolColor="#A6544D";a.Pb.jmolColor="#575961";a.Bi.jmolColor="#9E4FB5";a.Po.jmolColor="#AB5C00";a.At.jmolColor="#754F45";a.Rn.jmolColor="#428296";a.Fr.jmolColor="#420066";a.Ra.jmolColor="#007D00";a.Ac.jmolColor="#70ABFA";a.Th.jmolColor="#00BAFF";a.Pa.jmolColor="#00A1FF";a.U.jmolColor="#008FFF";a.Np.jmolColor="#0080FF";a.Pu.jmolColor= "#006BFF";a.Am.jmolColor="#545CF2";a.Cm.jmolColor="#785CE3";a.Bk.jmolColor="#8A4FE3";a.Cf.jmolColor="#A136D4";a.Es.jmolColor="#B31FD4";a.Fm.jmolColor="#B31FBA";a.Md.jmolColor="#B30DA6";a.No.jmolColor="#BD0D87";a.Lr.jmolColor="#C70066";a.Rf.jmolColor="#CC0059";a.Db.jmolColor="#D1004F";a.Sg.jmolColor="#D90045";a.Bh.jmolColor="#E00038";a.Hs.jmolColor="#E6002E";a.Mt.jmolColor="#EB0026";a.Ds.jmolColor="#000000";a.Rg.jmolColor="#000000";a.Cn.jmolColor="#000000";a.Uut.jmolColor="#000000";a.Uuq.jmolColor= "#000000";a.Uup.jmolColor="#000000";a.Uuh.jmolColor="#000000";a.Uus.jmolColor="#000000";a.Uuo.jmolColor="#000000";for(var f=0,j=d.length;f=e.length){e=e.slice(a);a=0}}return f};this.getOldestElement=function(){var f=undefined;if(e.length)f=e[a];return f}}})(ChemDoodle.structures); (function(d,e){d.Point=function(a,f){this.x=a?a:0;this.y=f?f:0;this.sub=function(j){this.x-=j.x;this.y-=j.y};this.add=function(j){this.x+=j.x;this.y+=j.y};this.distance=function(j){var c=j.x-this.x;j=j.y-this.y;return e.sqrt(c*c+j*j)};this.angleForStupidCanvasArcs=function(j){var c=j.x-this.x;j=j.y-this.y;var k=0;for(k=c==0?j==0?0:j>0?e.PI/2:3*e.PI/2:j==0?c>0?0:e.PI:c<0?e.atan(j/c)+e.PI:j<0?e.atan(j/c)+2*e.PI:e.atan(j/c);k<0;)k+=e.PI*2;k%=e.PI*2;return k};this.angle=function(j){var c=j.x-this.x;j= this.y-j.y;var k=0;for(k=c==0?j==0?0:j>0?e.PI/2:3*e.PI/2:j==0?c>0?0:e.PI:c<0?e.atan(j/c)+e.PI:j<0?e.atan(j/c)+2*e.PI:e.atan(j/c);k<0;)k+=e.PI*2;k%=e.PI*2;return k};return true}})(ChemDoodle.structures,Math); (function(d,e,a,f,j){a.Atom=function(c,k,b,g){this.x=k?k:0;this.y=b?b:0;this.z=g?g:0;this.numLonePair=this.charge=0;this.mass=-1;this.angleOfLeastInterference=this.bondNumber=this.coordinationNumber=0;this.isHidden=false;this.label=c?c.replace(/\s/g,""):"C";this.altLabel=null;if(!d[this.label])this.label="C";this.isSelected=this.isHover=this.isLone=false;this.add3D=function(h){this.x+=h.x;this.y+=h.y;this.z+=h.z};this.sub3D=function(h){this.x-=h.x;this.y-=h.y;this.z-=h.z};this.distance3D=function(h){var l= h.x-this.x,p=h.y-this.y;h=h.z-this.z;return f.sqrt(l*l+p*p+h*h)};this.draw=function(h,l){if(this.specs)l=this.specs;var p=l.getFontString(l.atoms_font_size_2D,l.atoms_font_families_2D,l.atoms_font_bold_2D,l.atoms_font_italic_2D);h.font=p;h.fillStyle=l.atoms_color;if(l.atoms_useJMOLColors)h.fillStyle=d[this.label].jmolColor;else if(l.atoms_usePYMOLColors)h.fillStyle=d[this.label].pymolColor;if(this.isLone&&!l.atoms_displayAllCarbonLabels_2D||l.atoms_circles_2D){h.beginPath();h.arc(this.x,this.y,l.atoms_circleDiameter_2D/ 2,0,f.PI*2,false);h.fill();if(l.atoms_circleBorderWidth_2D>0){h.lineWidth=l.atoms_circleBorderWidth_2D;h.strokeStyle="black";h.stroke(this.x,this.y,0,f.PI*2,l.atoms_circleDiameter_2D/2)}}else if(this.isLabelVisible(l)){h.textAlign="center";h.textBaseline="middle";if(this.altLabel!=undefined)h.fillText(this.altLabel,this.x,this.y);else{h.fillText(this.label,this.x,this.y);if(this.mass!=-1){var n=h.measureText(this.label).width,q=l.getFontString(l.atoms_font_size_2D*0.7,l.atoms_font_families_2D,l.atoms_font_bold_2D, l.atoms_font_italic_2D),m=h.font;h.font=q;q=h.measureText(this.mass).width;h.fillText(this.mass,this.x-q-0.5,this.y-l.atoms_font_size_2D*0.3);h.font=m}m=this.getImplicitHydrogenCount();if(l.atoms_implicitHydrogens_2D&&m>0){n=h.measureText(this.label).width;var u=h.measureText("H").width;if(m>1){var v=n/2+u/2,r=0;q=l.getFontString(l.atoms_font_size_2D*0.8,l.atoms_font_families_2D,l.atoms_font_bold_2D,l.atoms_font_italic_2D);h.font=q;var w=h.measureText(m).width;if(this.bondNumber==1){if(this.angleOfLeastInterference> f.PI/2&&this.angleOfLeastInterference<3*f.PI/2)v=-n/2-w-u/2}else if(!(this.angleOfLeastInterference<=f.PI/4))if(this.angleOfLeastInterference<3*f.PI/4){v=0;r=-l.atoms_font_size_2D*0.9}else if(this.angleOfLeastInterference<=5*f.PI/4)v=-n/2-w-u/2;else if(this.angleOfLeastInterference<7*f.PI/4){v=0;r=l.atoms_font_size_2D*0.9}h.font=p;h.fillText("H",this.x+v,this.y+r);h.font=q;h.fillText(m,this.x+v+u/2+w/2,this.y+r+l.atoms_font_size_2D*0.3)}else{v=n/2+u/2;r=0;if(this.bondNumber==1){if(this.angleOfLeastInterference> f.PI/2&&this.angleOfLeastInterference<3*f.PI/2)v=-n/2-u/2}else if(!(this.angleOfLeastInterference<=f.PI/4))if(this.angleOfLeastInterference<3*f.PI/4){v=0;r=-l.atoms_font_size_2D*0.9}else if(this.angleOfLeastInterference<=5*f.PI/4)v=-n/2-u/2;else if(this.angleOfLeastInterference<7*f.PI/4){v=0;r=l.atoms_font_size_2D*0.9}h.fillText("H",this.x+v,this.y+r)}}}if(this.charge!=0){p=this.charge.toFixed(0);if(p=="1")p="+";else if(p=="-1")p="\u2013";else if(e.stringStartsWith(p,"-"))p=p.substring(1)+"\u2013"; else p+="+";q=this.angleOfLeastInterference;n=l.atoms_font_size_2D;if(this.isLabelVisible(l)&&m>0)q+=f.PI/4;h.textAlign="center";h.textBaseline="middle";h.fillText(p,this.x+n*f.cos(q),this.y-n*f.sin(q))}if(this.numLonePair>0){h.fillStyle="black";if(this.bondNumber==2&&f.abs(this.largestAngle-f.PI)0){h=4-h;if(this.charge<=h)l+=this.charge;else l=4-this.coordinationNumber-this.charge+h}else l+=this.charge;return l<0?0:l};return true};a.Atom.prototype=new a.Point(0,0)})(ChemDoodle.ELEMENT,ChemDoodle.extensions,ChemDoodle.structures, Math,mat4); (function(d,e,a,f,j,c){a.Bond=function(k,b,g){this.a1=k;this.a2=b;this.bondOrder=g?g:1;this.stereo=a.Bond.STEREO_NONE;this.isHover=false;this.ring=null;this.getCenter=function(){return new a.Point((this.a1.x+this.a2.x)/2,(this.a1.y+this.a2.y)/2)};this.getLength=function(){return this.a1.distance(this.a2)};this.getLength3D=function(){return this.a1.distance3D(this.a2)};this.contains=function(h){return h==this.a1||h==this.a2};this.getNeighbor=function(h){if(h==this.a1)return this.a2;else if(h==this.a2)return this.a1; return null};this.draw=function(h,l){if(this.specs)l=this.specs;var p=this.a1.x,n=this.a2.x,q=this.a1.y,m=this.a2.y,u=n-p,v=m-q;if(l.atoms_display&&!l.atoms_circles_2D&&this.a1.isLabelVisible(l)){p+=u*l.bonds_atomLabelBuffer_2D;q+=v*l.bonds_atomLabelBuffer_2D}if(l.atoms_display&&!l.atoms_circles_2D&&this.a2.isLabelVisible(l)){n-=u*l.bonds_atomLabelBuffer_2D;m-=v*l.bonds_atomLabelBuffer_2D}if(l.bonds_clearOverlaps_2D){var r=p+u*0.15,w=q+v*0.15,t=n-u*0.15,x=m-v*0.15;h.strokeStyle=l.backgroundColor; h.lineWidth=l.bonds_width_2D+l.bonds_overlapClearWidth_2D*2;h.lineCap="round";h.beginPath();h.moveTo(r,w);h.lineTo(t,x);h.closePath();h.stroke()}h.strokeStyle=l.bonds_color;h.fillStyle=l.bonds_color;h.lineWidth=l.bonds_width_2D;h.lineCap=l.bonds_ends_2D;if(l.bonds_useJMOLColors||l.bonds_usePYMOLColors){r=h.createLinearGradient(p,q,n,m);w=d[this.a1.label].jmolColor;t=d[this.a2.label].jmolColor;if(l.atoms_usePYMOLColors){w=d[this.a1.label].pymolColor;t=d[this.a2.label].pymolColor}r.addColorStop(0,w); if(!l.bonds_colorGradient){r.addColorStop(0.5,w);r.addColorStop(0.51,t)}r.addColorStop(1,t);h.strokeStyle=r;h.fillStyle=r}switch(this.bondOrder){case 0.5:h.beginPath();h.moveTo(p,q);e.contextHashTo(h,p,q,n,m,l.bonds_hashSpacing_2D,l.bonds_hashSpacing_2D);h.stroke();break;case 1:if(this.stereo==a.Bond.STEREO_PROTRUDING||this.stereo==a.Bond.STEREO_RECESSED){var z=l.bonds_width_2D/2;v=this.a1.distance(this.a2)*l.bonds_wedgeThickness_2D/2;r=this.a1.angle(this.a2)+f.PI/2;w=f.cos(r);r=f.sin(r);u=p-w*z; t=q+r*z;x=p+w*z;z=q-r*z;var A=n+w*v,C=m-r*v;w=n-w*v;r=m+r*v;h.beginPath();h.moveTo(u,t);h.lineTo(x,z);h.lineTo(A,C);h.lineTo(w,r);h.closePath();if(this.stereo==a.Bond.STEREO_PROTRUDING)h.fill();else{h.save();h.clip();h.lineWidth=v*2;h.lineCap="butt";h.beginPath();h.moveTo(p,q);e.contextHashTo(h,p,q,n,m,l.bonds_hashWidth_2D,l.bonds_hashSpacing_2D);h.stroke();h.restore()}}else if(this.stereo==a.Bond.STEREO_AMBIGUOUS){h.beginPath();h.moveTo(p,q);m=f.floor(f.sqrt(u*u+v*v)/l.bonds_wavyLength_2D);p=p;q= q;r=this.a1.angle(this.a2)+f.PI/2;w=f.cos(r);r=f.sin(r);n=u/m;v=v/m;for(A=0;Athis.ring.center.angle(this.a2)&&!(this.ring.center.angle(this.a1)-this.ring.center.angle(this.a2)>f.PI)||this.ring.center.angle(this.a1)-this.ring.center.angle(this.a2)<-f.PI){h.moveTo(u,t);h.lineTo(A,C)}else{h.moveTo(x,z); h.lineTo(w,r)}h.stroke()}}else{v=this.a1.distance(this.a2)*l.bonds_saturationWidth_2D/2;r=this.a1.angle(this.a2)+f.PI/2;u=p-f.cos(r)*v;t=q+f.sin(r)*v;x=p+f.cos(r)*v;z=q-f.sin(r)*v;A=n+f.cos(r)*v;C=m-f.sin(r)*v;w=n-f.cos(r)*v;r=m+f.sin(r)*v;h.beginPath();h.moveTo(u,t);h.lineTo(w,r);h.moveTo(x,z);h.lineTo(A,C);h.stroke()}break;case 3:v=this.a1.distance(this.a2)*l.bonds_saturationWidth_2D;r=this.a1.angle(this.a2)+f.PI/2;u=p-f.cos(r)*v;t=q+f.sin(r)*v;x=p+f.cos(r)*v;z=q-f.sin(r)*v;A=n+f.cos(r)*v;C=m-f.sin(r)* v;w=n-f.cos(r)*v;r=m+f.sin(r)*v;h.beginPath();h.moveTo(u,t);h.lineTo(w,r);h.moveTo(x,z);h.lineTo(A,C);h.moveTo(p,q);h.lineTo(n,m);h.stroke();break}};this.drawDecorations=function(h){if(this.isHover||this.isSelected){var l=2*f.PI,p=(this.a1.angleForStupidCanvasArcs(this.a2)+f.PI/2)%l;h.strokeStyle=this.isHover?"#885110":"#0060B2";h.lineWidth=1.2;h.beginPath();var n=(p+f.PI)%l;n%=f.PI*2;h.arc(this.a1.x,this.a1.y,7,p,n,false);h.stroke();h.beginPath();p+=f.PI;n=(p+f.PI)%l;h.arc(this.a2.x,this.a2.y,7, p,n,false);h.stroke()}};this.render=function(h,l){if(this.specs)l=this.specs;var p=(l.bonds_renderAsLines_3D?1.1:1.001)*this.a1.distance3D(this.a2)/(l.bonds_useJMOLColors||l.bonds_usePYMOLColors?2:1);if(p==0)return false;p=[l.bonds_cylinderDiameter_3D/2,p,l.bonds_cylinderDiameter_3D/2];var n=j.translate(h.modelViewMatrix,[this.a1.x,this.a1.y,this.a1.z],[]),q=null,m=[this.a2.x-this.a1.x,this.a2.y-this.a1.y,this.a2.z-this.a1.z];if(l.bonds_useJMOLColors||l.bonds_usePYMOLColors){c.scale(m,0.5);q=j.translate(h.modelViewMatrix, [this.a2.x,this.a2.y,this.a2.z],[])}var u=[0],v=null;if(l.bonds_showBondOrders_3D){switch(this.bondOrder){case 2:u=[-l.bonds_cylinderDiameter_3D,l.bonds_cylinderDiameter_3D];break;case 3:u=[-1.2*l.bonds_cylinderDiameter_3D,0,1.2*l.bonds_cylinderDiameter_3D];break}if(u.length>1){v=[0,0,1];var r=j.inverse(h.rotationMatrix,[]);j.multiplyVec3(r,v);v=c.cross(m,v,[]);c.normalize(v)}}var w=[0,1,0];r=0;var t=null;if(this.a1.x==this.a2.x&&this.a1.z==this.a2.z){t=[0,0,1];if(this.a2.y0&&this.atoms[0].hetatm!=undefined;if(b){if(k.macro_displayBonds){if(this.bonds.length>0){if(k.bonds_renderAsLines_3D&& !this.residueSpecs||this.residueSpecs&&this.residueSpecs.bonds_renderAsLines_3D){c.lineWidth(this.residueSpecs?this.residueSpecs.bonds_width_2D:k.bonds_width_2D);c.lineBuffer.bindBuffers(c)}else c.cylinderBuffer.bindBuffers(c);c.material.setTempColors(k.bonds_materialAmbientColor_3D,null,k.bonds_materialSpecularColor_3D,k.bonds_materialShininess_3D)}for(var g=0,h=this.bonds.length;g= l.a1.closestDistance&&k.macro_atomToLigandDistance>=l.a2.closestDistance))l.render(c,this.residueSpecs?this.residueSpecs:k)}}if(k.macro_displayAtoms){if(this.atoms.length>0){c.sphereBuffer.bindBuffers(c);c.material.setTempColors(k.atoms_materialAmbientColor_3D,null,k.atoms_materialSpecularColor_3D,k.atoms_materialShininess_3D)}g=0;for(h=this.atoms.length;g=p.closestDistance))p.render(c, this.residueSpecs?this.residueSpecs:k)}}}if(k.bonds_display){if(this.bonds.length>0){if(k.bonds_renderAsLines_3D){c.lineWidth(k.bonds_width_2D);c.lineBuffer.bindBuffers(c)}else c.cylinderBuffer.bindBuffers(c);c.material.setTempColors(k.bonds_materialAmbientColor_3D,null,k.bonds_materialSpecularColor_3D,k.bonds_materialShininess_3D)}g=0;for(h=this.bonds.length;g0){c.sphereBuffer.bindBuffers(c);c.material.setTempColors(k.atoms_materialAmbientColor_3D,null,k.atoms_materialSpecularColor_3D,k.atoms_materialShininess_3D)}l=[];g=0;for(h=this.atoms.length;g 0){c.starBuffer.bindBuffers(c);g=0;for(h=l.length;g2&&f[n[2].name]&&f[n[2].name].aminoColor=="#BEA06E")&&n.length>0){g=1;for(h=n.length-2;g0){b=new a.VisualSpecifications;b.atoms_display=true;b.bonds_display=true;b.atoms_sphereDiameter_3D=k.proteins_backboneThickness;b.bonds_cylinderDiameter_3D=k.proteins_backboneThickness;b.bonds_useJMOLColors=false;b.atoms_color=k.proteins_backboneColor;b.bonds_color=k.proteins_backboneColor;b.atoms_useVDWDiameters_3D=false;c.material.setTempColors(k.proteins_materialAmbientColor_3D,null,k.proteins_materialSpecularColor_3D, k.proteins_materialShininess_3D);c.material.setDiffuseColor(k.proteins_backboneColor);g=0;for(h=this.alphaCarbonTrace.nodes.length;g0&&this.atoms[b].z0&&this.bonds[b].a1.z+this.bonds[b].a2.z0;k--)for(h=0;h<4;h++)v[k*4+h]+=v[(k-1)*4+h];r[w]=new d.Atom("",v[12]/v[15], v[13]/v[15],v[14]/v[15])}p[m]=r}if(l&&this.arrow)for(k=0;k<10;k++){l=1.5-1.3*k/10;n=e.floor(this.Ns/2);b=p[n];h=0;for(g=p.length;h25;)v*=10;var r=0,w=g.plots_flipXAxis? h:0;for(m=j.round(this.minX/v)*v;m<=this.maxX;m+=v/2){u=this.getTransformedX(m,g,h,n);if(u>n){b.strokeStyle="black";b.lineWidth=1;if(r%2==0){b.beginPath();b.moveTo(u,l-q);b.lineTo(u,l-q+2);b.stroke();for(var t=m.toFixed(5);t.charAt(t.length-1)=="0";)t=t.substring(0,t.length-1);if(t.charAt(t.length-1)==".")t=t.substring(0,t.length-1);var x=b.measureText(t).width;if(g.plots_flipXAxis)x*=-1;var z=u-x/2;if(g.plots_flipXAxis?zw){b.fillText(t,u,l-q+2);w=u+x/2}if(g.plots_showGrid){b.strokeStyle=g.plots_gridColor; b.lineWidth=g.plots_gridLineWidth;b.beginPath();b.moveTo(u,l-q);b.lineTo(u,p);b.stroke()}}else{b.beginPath();b.moveTo(u,l-q);b.lineTo(u,l-q+2);b.stroke()}}r++}if(g.plots_showYAxis||g.plots_showGrid){u=1/g.scale;b.textAlign="right";b.textBaseline="middle";for(m=0;m<=10;m++){t=u/10*m;v=p+(l-q-p)*(1-t*g.scale);if(g.plots_showGrid){b.strokeStyle=g.plots_gridColor;b.lineWidth=g.plots_gridLineWidth;b.beginPath();b.moveTo(n,v);b.lineTo(h,v);b.stroke()}if(g.plots_showYAxis){b.strokeStyle="black";b.lineWidth= 1;b.beginPath();b.moveTo(n,v);b.lineTo(n-3,v);b.stroke();t=t*100;r=j.max(0,3-j.floor(t).toString().length);t=t.toFixed(r);if(r>0)for(;t.charAt(t.length-1)=="0";)t=t.substring(0,t.length-1);if(t.charAt(t.length-1)==".")t=t.substring(0,t.length-1);b.fillText(t,n-3,v)}}}b.strokeStyle="black";b.lineWidth=1;b.beginPath();b.moveTo(h,l-q);b.lineTo(n,l-q);g.plots_showYAxis&&b.lineTo(n,p);b.stroke();if(this.dataDisplay.length>0){b.textAlign="left";b.textBaseline="top";m=u=0;for(t=this.dataDisplay.length;m< t;m++)if(this.dataDisplay[m].value){b.fillText([this.dataDisplay[m].display,": ",this.dataDisplay[m].value].join(""),n+10,p+10+u*(g.text_font_size+5));u++}else if(this.dataDisplay[m].tag){v=0;for(r=this.metadata.length;v-1?this.metadata[v].substring(r+2):this.metadata[v]].join("")}b.fillText(r,n+10,p+10+u* (g.text_font_size+5));u++;break}}}b.strokeStyle=g.plots_color;b.lineWidth=g.plots_width;r=[];b.beginPath();if(this.continuous){w=false;m=0;for(t=this.data.length;m=n&&uthis.integrationSensitivity&&r.push(new e.Point(this.data[m].x,this.data[m].y));if(!w){b.moveTo(u,v);w=true}b.lineTo(u,v)}else if(w)break}}else{m=0;for(t=this.data.length;m=n&&u1){b.strokeStyle=g.plots_integrationColor;b.lineWidth=g.plots_integrationLineWidth;b.beginPath();m=r[1].x>r[0].x;if(this.flipXAxis&&!m||!this.flipXAxis&&m){for(m=r.length-2;m>=0;m--)r[m].y+=r[m+1].y;w=r[0].y}else{m=1;for(t=r.length;m0;for(var n=0,q=c.length-1;n0&&G)if(c[n].split){u=new j(this,null,G);if(c[n].helix)u.helix=true;if(c[n].sheet)u.sheet=true;this.cartoonSegments.push(u);G=[]}b=n*g*h;m=[];u=0;for(v=g-1;u2&&this.innerGetRings&&this.innerGetRings()};this.fuse=function(){for(var a=0,f=this.rings.length;a=0;p--)q.atoms.push(h.atoms[p])}else{var m=[];p=0;for(n=g.length;p=0;g--)q.atoms.push(h.atoms[g]);break}}return q};return true}d.EulerFacetRingFinder=function(j){this.fingerBreak=5;this.setMolecule(j);return true};d.EulerFacetRingFinder.prototype=new d._RingFinder;d.EulerFacetRingFinder.prototype.innerGetRings=function(){for(var j=0,c=this.atoms.length;j0&&l[0].atoms.length0){l=null;n=0;for(q=m.length;nm[n].atoms.length)l=m[n];m=false;n=0;for(q=this.rings.length;n0){var a=(new d.FrerejacqueNumberCounter(e)).value,f=(new d.EulerFacetRingFinder(e)).rings;f.sort(function(g,h){return g.atoms.length-h.atoms.length});for(var j=0,c=e.bonds.length;j0&&m.charAt(t-1)!="+")v*=-1}if(x!=-1){r++;if(x>0&&m.charAt(x-1)!="+")r*=-1}if(z!=-1){w++;if(z>0&&m.charAt(z- 1)!="+")w*=-1}if(m.length>2){t="+";x=0;for(z=m.length;x 0)if(e.stringStartsWith(B,"_cell_length_a"))x=parseFloat(B.split(b)[1]);else if(e.stringStartsWith(B,"_cell_length_b"))z=parseFloat(B.split(b)[1]);else if(e.stringStartsWith(B,"_cell_length_c"))A=parseFloat(B.split(b)[1]);else if(e.stringStartsWith(B,"_cell_angle_alpha"))m=j.PI*parseFloat(B.split(b)[1])/180;else if(e.stringStartsWith(B,"_cell_angle_beta"))C=j.PI*parseFloat(B.split(b)[1])/180;else if(e.stringStartsWith(B,"_cell_angle_gamma"))D=j.PI*parseFloat(B.split(b)[1])/180;else if(e.stringStartsWith(B, "_symmetry_space_group_name_H-M"))G=B.split(g)[1];x=x;B=z;A=A;C=C;D=D;m=(j.cos(m)-j.cos(D)*j.cos(C))/j.sin(D);m=[x,0,0,0,B*j.cos(D),B*j.sin(D),0,0,A*j.cos(C),A*m,A*j.sqrt(1-j.pow(j.cos(C),2)-m*m),0,0,0,0,1];for(C=[];!e.stringStartsWith(B=t.shift(),"loop_");)B.length>0&&e.stringStartsWith(B,"'")&&C.push(B);for(;e.stringStartsWith(t[0],"_");)t.shift();D=0;for(x=t.length;D=1;)t.x--;for(;t.x<0;)t.x++;for(;t.y>=1;)t.y--;for(;t.y<0;)t.y++;for(;t.z>=1;)t.z--; for(;t.z<0;)t.z++}C=[];D=0;for(x=B.length;D3)switch(v){case 4:v=1.5;break;default:v=1;break}m= new f.Bond(h.atoms[parseInt(m.substring(0,3))-1],h.atoms[parseInt(m.substring(3,6))-1],v);switch(u){case 3:m.stereo=f.Bond.STEREO_AMBIGUOUS;break;case 1:m.stereo=f.Bond.STEREO_PROTRUDING;break;case 6:m.stereo=f.Bond.STEREO_RECESSED;break}h.bonds[q]=m}return h};this.write=function(b){var g="Molecule from ChemDoodle Web Components\n\nhttp://www.ichemlabs.com\n";g=g+c(b.atoms.length.toString(),3)+c(b.bonds.length.toString(),3)+" 0 0 0 0 999 v2000\n";for(var h=b.getCenter(),l=0,p=b.atoms.length;l< p;l++){var n=b.atoms[l],q=" 0";if(n.mass!=-1&&e[n.label]!=null){var m=n.mass-e[n.label].mass;if(m<5&&m>-4)q=(m>-1?" ":"")+m}m=" 0";if(n.charge!=0)switch(n.charge){case 3:m=" 1";break;case 2:m=" 2";break;case 1:m=" 3";break;case -1:m=" 5";break;case -2:m=" 6";break;case -3:m=" 7";break}g=g+c(((n.x-h.x)/d.default_bondLength_2D).toFixed(4),10)+c((-(n.y-h.y)/d.default_bondLength_2D).toFixed(4),10)+c((n.z/d.default_bondLength_2D).toFixed(4),10)+" "+c(n.label,3,true)+q+m+" 0 0 0 0\n"}l=0;for(p= b.bonds.length;l=m.start&&l<=m.end){if(p)b.helix=true;else b.sheet=true;if(l+1==m.end)b.arrow=true;return}}}this.calculateRibbonDistances=false;this.read=function(b,g){var h=new f.Molecule;h.chains=[];if(b==null||b.length==0)return h;var l=b.split("\n");g||(g=1);for(var p=[],n=[],q=null,m=[],u=0,v=l.length;u0)w=t.length>1?t.charAt(0)+t.substring(1).toLowerCase():t}w=new f.Atom(w,parseFloat(r.substring(30,38))*g,parseFloat(r.substring(38, 46))*g,parseFloat(r.substring(46,54))*g);w.hetatm=false;h.atoms.push(w);t=parseInt(r.substring(22,26));if(m.length==0)for(var x=0;x<2;x++){var z=new f.Residue(-1);z.cp1=w;z.cp2=w;m.push(z)}if(t!=Number.NaN&&m[m.length-1].resSeq!=t){x=new f.Residue(t);x.name=j(r.substring(17,20));if(x.name.length==3)x.name=x.name.substring(0,1)+x.name.substring(1).toLowerCase();else if(x.name.length==2&&x.name.charAt(0)=="D")x.name=x.name.substring(1);m.push(x);z=r.substring(21,22);k(x,p,z,t,true);k(x,n,z,t,false)}r= j(r.substring(12,16));t=m[m.length-1];if(r=="CA"||r=="P"||r=="O5'"){if(!t.cp1)t.cp1=w}else if(r=="N3"&&(t.name=="C"||t.name=="U"||t.name=="T")||r=="N1"&&(t.name=="A"||t.name=="G"))t.cp3=w;else if(r=="C2")t.cp4=w;else if(r=="C4"&&(t.name=="C"||t.name=="U"||t.name=="T")||r=="C6"&&(t.name=="A"||t.name=="G"))t.cp5=w;else if(r=="O"||r=="C6"&&(t.name=="C"||t.name=="U"||t.name=="T")||r=="N9"){if(!m[m.length-1].cp2){if(r=="C6"||r=="N9")q=w;t.cp2=w}}else if(r=="C")q=w}}else if(e.stringStartsWith(r,"HETATM")){w= j(r.substring(76,78));if(w.length>1)w=w.substring(0,1)+w.substring(1).toLowerCase();w=new f.Atom(w,parseFloat(r.substring(30,38))*g,parseFloat(r.substring(38,46))*g,parseFloat(r.substring(46,54))*g);w.hetatm=true;if(j(r.substring(17,20))=="HOH")w.isWater=true;h.atoms.push(w)}else if(e.stringStartsWith(r,"TER")){this.endChain(h,m,q);m=[]}else if(e.stringStartsWith(r,"ENDMDL"))break}this.endChain(h,m,q);(new d.informatics.BondDeducer).deduceCovalentBonds(h,g);this.calculateRibbonDistances&&this.calculateDistances(h); return h};this.endChain=function(b,g,h){if(g.length>0){var l=g[g.length-1];if(!l.cp1)l.cp1=b.atoms[b.atoms.length-2];if(!l.cp2)l.cp2=b.atoms[b.atoms.length-1];for(l=0;l<4;l++){var p=new f.Residue(-1);p.cp1=h;p.cp2=g[g.length-1].cp2;g.push(p)}b.chains.push(g)}};this.calculateDistances=function(b){for(var g=[],h=[],l=0,p=b.atoms.length;l0&&!(n.length==1&&n[0]==" ")&&P.push(n.join(""));n=[F.charAt(O)]}else if(F.charAt(O)=="|")Q=true;else n.push(F.charAt(O));P.push(n.join(""));F=parseFloat(P[0])*r-K;O=1;for(S=P.length;O0){l.save();l.translate(this.width/2,this.height/2);l.rotate(this.specs.rotateAngle);l.scale(this.specs.scale,this.specs.scale);l.translate(-this.width/2,-this.height/2);this.molecule.draw(l,this.specs);l.restore()}else if(this.emptyMessage!=null){l.fillStyle="#737683";l.textAlign="center";l.textBaseline="middle";l.font="18px Helvetica, Verdana, Arial, Sans-serif";l.fillText(this.emptyMessage,this.width/ 2,this.height/2)}this.drawChildExtras&&this.drawChildExtras(l)}};d._Canvas.prototype.setBackgroundImage=function(h){this.image=new Image;var l=this;this.image.onload=function(){l.repaint()};this.image.src=h};d._Canvas.prototype.loadMolecule=function(h){this.molecule=h;this.center();this instanceof ChemDoodle._Canvas3D||this.molecule.check();this.afterLoadMolecule&&this.afterLoadMolecule();this.repaint()};d._Canvas.prototype.center=function(){var h=this.molecule.getCenter3D(),l=new f.Atom("C",this.width/ 2,this.height/2,0);l.sub3D(h);h=0;for(var p=this.molecule.atoms.length;hthis.width||l.y>this.height)this.specs.scale=k.min(this.width/l.x,this.height/l.y)*0.85};d._Canvas.prototype.create=function(h,l,p){this.id=h;this.width=l;this.height=p;if(b.getElementById(h)){var n=j("#"+h);if(l)n.attr("width",l);else this.width=n.attr("width");if(p)n.attr("height",p);else this.height=n.attr("height")}else!d.featureDetection.supports_canvas_text()&& c.msie&&c.version>="6"?b.writeln('
Please install Google Chrome Frame, then restart Internet Explorer.
'):b.writeln('This browser does not support HTML5/Canvas.');h=j("#"+h);h.css("width",this.width);h.css("height",this.height);this.specs=new f.VisualSpecifications;var q=this;if(e.supports_touch()){h.bind("touchstart", function(m){var u=(new Date).getTime();if(q.lastTouch&&m.originalEvent.touches.length==1&&u-q.lastTouch<500)if(q.dbltap){q.prehandleEvent(m);q.dbltap(m)}else if(q.dblclick){q.prehandleEvent(m);q.dblclick(m)}else if(q.touchstart){q.prehandleEvent(m);q.touchstart(m)}else{if(q.mousedown){q.prehandleEvent(m);q.mousedown(m)}}else if(q.touchstart){q.prehandleEvent(m);q.touchstart(m)}else if(q.mousedown){q.prehandleEvent(m);q.mousedown(m)}q.lastTouch=u});h.bind("touchmove",function(m){if(m.originalEvent.touches.length> 1&&q.multitouchmove){var u=m.originalEvent.touches.length;q.prehandleEvent(m);for(var v=new f.Point(-m.offset.left*u,-m.offset.top*u),r=0;r
';e.writeln(form);this.emptyMessage="Click below to load file";this.repaint(); return true};d.FileCanvas.prototype=new d._Canvas})(ChemDoodle,document); (function(d){d.HyperlinkCanvas=function(e,a,f,j,c,k){e&&this.create(e,a,f);this.urlOrFunction=j;this.color=c?c:"blue";this.size=k?k:2;this.openInNewWindow=true;this.e=this.hoverImage=null;return true};d.HyperlinkCanvas.prototype=new d._Canvas;d.HyperlinkCanvas.prototype.drawChildExtras=function(e){if(this.e!=null)if(this.hoverImage==null){e.strokeStyle=this.color;e.lineWidth=this.size*2;e.strokeRect(0,0,this.width,this.height)}else e.drawImage(this.hoverImage,0,0)};d.HyperlinkCanvas.prototype.setHoverImage= function(e){this.hoverImage=new Image;this.hoverImage.src=e};d.HyperlinkCanvas.prototype.click=function(){this.e=null;this.repaint();if(this.urlOrFunction instanceof Function)this.urlOrFunction();else if(this.openInNewWindow)window.open(this.urlOrFunction);else location.href=this.urlOrFunction};d.HyperlinkCanvas.prototype.mouseout=function(){this.e=null;this.repaint()};d.HyperlinkCanvas.prototype.mouseover=function(e){this.e=e;this.repaint()}})(ChemDoodle); (function(d,e,a,f){d.MolGrabberCanvas=function(j,c,k){j&&this.create(j,c,k);c=[];c.push('
');c.push("
");c.push('");c.push('');c.push(""); f.writeln(c.join(""));var b=this;a("#"+j+"_submit").click(function(){b.search()});a("#"+j+"_query").keypress(function(g){g.which==13&&b.search()});this.emptyMessage="Enter search term below";this.repaint();return true};d.MolGrabberCanvas.prototype=new d._Canvas;d.MolGrabberCanvas.prototype.setSearchTerm=function(j){a("#"+this.id+"_query").val(j);this.search()};d.MolGrabberCanvas.prototype.search=function(){this.emptyMessage="Searching...";this.molecule=null;this.repaint();var j=this;e.getMoleculeFromDatabase(a("#"+ this.id+"_select").val(),a("#"+this.id+"_query").val(),function(c){j.loadMolecule(c)})}})(ChemDoodle,ChemDoodle.iChemLabs,jQuery,document); (function(d,e,a){d.RotatorCanvas=function(f,j,c,k){f&&this.create(f,j,c);this.rotate3D=k;this.zIncrement=this.yIncrement=this.xIncrement=f=e.PI/15;return true};d.RotatorCanvas.prototype=new d._AnimatorCanvas;d.RotatorCanvas.prototype.nextFrame=function(f){if(this.molecule==null)this.stopAnimation();else{var j=f/1E3;if(this.rotate3D){f=[];a.identity(f);a.rotate(f,this.xIncrement*j,[1,0,0]);a.rotate(f,this.yIncrement*j,[0,1,0]);a.rotate(f,this.zIncrement*j,[0,0,1]);j=0;for(var c=this.molecule.atoms.length;j< c;j++){var k=this.molecule.atoms[j],b=[k.x-this.width/2,k.y-this.height/2,k.z];a.multiplyVec3(f,b);k.x=b[0]+this.width/2;k.y=b[1]+this.height/2;k.z=b[2]}j=0;for(c=this.molecule.rings.length;jthis.molecules.length-1)this.curIndex= 0;this.alpha=1;this.loadMolecule(this.molecules[this.curIndex]);this.phase=1;var e=this,a=1;this.innerHandle=setInterval(function(){e.alpha=(15-a)/15;e.repaint();a==15&&e.breakInnerHandle();a++},33)}else if(this.phase==1){this.alpha=0;this.repaint()}};d.SlideshowCanvas.prototype.addMolecule=function(e){this.molecules.length==0&&this.loadMolecule(e);this.molecules.push(e)}})(ChemDoodle); (function(d,e,a,f,j){d.TransformCanvas=function(c,k,b,g){c&&this.create(c,k,b);this.lastPoint=null;this.rotate3D=g;this.rotationMultMod=1.3;this.lastPinchScale=1;this.lastGestureRotate=0;return true};d.TransformCanvas.prototype=new d._Canvas;d.TransformCanvas.prototype.mousedown=function(c){this.lastPoint=c.p};d.TransformCanvas.prototype.dblclick=function(){var c=new a.Point(this.width/2,this.height/2);c.sub(this.molecule.getCenter());for(var k=0,b=this.molecule.atoms.length;k0)this.spectrum.draw(e,this.specs,this.width,this.height);else if(this.emptyMessage!=null){e.fillStyle="#737683";e.textAlign="center";e.textBaseline="middle";e.font= "18px Helvetica, Verdana, Arial, Sans-serif";e.fillText(this.emptyMessage,this.width/2,this.height/2)}};d._SpectrumCanvas.prototype.loadSpectrum=function(e){this.spectrum=e;this.repaint()};d._SpectrumCanvas.prototype.getSpectrum=function(){return this.spectrum}})(ChemDoodle,document);(function(d){d.ObserverCanvas=function(e,a,f){e&&this.create(e,a,f);return true};d.ObserverCanvas.prototype=new d._SpectrumCanvas})(ChemDoodle); (function(d,e,a){d.PerspectiveCanvas=function(f,j,c){f&&this.create(f,j,c);this.dragRange=null;this.rescaleYAxisOnZoom=true;this.lastPinchScale=1;return true};d.PerspectiveCanvas.prototype=new d._SpectrumCanvas;d.PerspectiveCanvas.prototype.mousedown=function(f){this.dragRange=new d.structures.Point(f.p.x,f.p.x)};d.PerspectiveCanvas.prototype.mouseup=function(f){if(this.dragRange!=null&&this.dragRange.x!=this.dragRange.y){if(!this.dragRange.multi){f=this.spectrum.zoom(this.dragRange.x,f.p.x,this.width, this.rescaleYAxisOnZoom);if(this.rescaleYAxisOnZoom)this.specs.scale=f}this.dragRange=null;this.repaint()}};d.PerspectiveCanvas.prototype.drag=function(f){if(this.dragRange!=null){if(this.dragRange.multi)this.dragRange=null;else{if(e.SHIFT){this.spectrum.translate(f.p.x-this.dragRange.x,this.width);this.dragRange.x=f.p.x}this.dragRange.y=f.p.x}this.repaint()}};d.PerspectiveCanvas.prototype.drawChildExtras=function(f){if(this.dragRange!=null){var j=a.min(this.dragRange.x,this.dragRange.y),c=a.max(this.dragRange.x, this.dragRange.y);f.strokeStyle="gray";f.lineStyle=1;f.beginPath();f.moveTo(j,this.height/2);for(j=j;j<=c;j++)j%10<5?f.lineTo(j,a.round(this.height/2)):f.moveTo(j,a.round(this.height/2));f.stroke()}};d.PerspectiveCanvas.prototype.mousewheel=function(f,j){this.specs.scale+=j/10;if(this.specs.scale<0.01)this.specs.scale=0.01;this.repaint()};d.PerspectiveCanvas.prototype.dblclick=function(){this.spectrum.setup();this.specs.scale=1;this.repaint()};d.PerspectiveCanvas.prototype.multitouchmove=function(f, j){if(j==2)if(this.dragRange==null||!this.dragRange.multi){this.dragRange=new d.structures.Point(f.p.x,f.p.x);this.dragRange.multi=true}else{this.spectrum.translate(f.p.x-this.dragRange.x,this.width);this.dragRange.x=f.p.x;this.dragRange.y=f.p.x;this.repaint()}};d.PerspectiveCanvas.prototype.gesturechange=function(f){this.specs.scale*=f.originalEvent.scale/this.lastPinchScale;if(this.specs.scale<0.01)this.specs.scale=0.01;this.lastPinchScale=f.originalEvent.scale;this.repaint()};d.PerspectiveCanvas.prototype.gestureend= function(){this.lastPinchScale=1}})(ChemDoodle,ChemDoodle.monitor,Math); (function(d,e,a,f,j,c,k,b,g,h){d._Canvas3D=function(l,p,n){l&&this.create(l,p,n);this.rotationMatrix=b.identity([]);this.translationMatrix=b.identity([]);this.lastPoint=null;this.emptyMessage="WebGL is Unavailable!";return true};d._Canvas3D.prototype=new d._Canvas;d._Canvas3D.prototype.afterLoadMolecule=function(){var l=this.molecule.getDimension();this.maxDimension=c.max(l.x,l.y);this.translationMatrix=b.translate(b.identity([]),[0,0,-this.maxDimension-10]);this.setupScene()};d._Canvas3D.prototype.setViewDistance= function(l){this.translationMatrix=b.translate(b.identity([]),[0,0,-l])};d._Canvas3D.prototype.repaint=function(){if(this.gl){this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.gl.modelViewMatrix=b.multiply(this.translationMatrix,this.rotationMatrix,[]);this.gl.rotationMatrix=this.rotationMatrix;this.molecule!=null&&this.molecule.render(this.gl,this.specs);this.gl.flush()}};d._Canvas3D.prototype.center=function(){k.getElementById(this.id);for(var l=this.molecule.getCenter3D(),p= 0,n=this.molecule.atoms.length;p2&&j[n[2].name]&&j[n[2].name].aminoColor=="#BEA06E";if(n.length>0&&!n[0].lineSegments){for(var m=0,u=n.length- 1;mc.PI/2){n[m].guidePointsSmall.reverse();n[m].guidePointsLarge.reverse();h.scale(n[m].D,-1)}}m=1;for(u=n.length-3;m');c.push("
");c.push('");c.push('');c.push("");f.writeln(c.join(""));var b=this;a("#"+j+"_submit").click(function(){b.search()});a("#"+j+"_query").keypress(function(g){g.which== 13&&b.search()});return true};d.MolGrabberCanvas3D.prototype=new d._Canvas3D;d.MolGrabberCanvas3D.prototype.setSearchTerm=function(j){a("#"+this.id+"_query").val(j);this.search()};d.MolGrabberCanvas3D.prototype.search=function(){var j=this;e.getMoleculeFromDatabase(a("#"+this.id+"_select").val(),a("#"+this.id+"_query").val(),function(c){j.loadMolecule(c)},3)}})(ChemDoodle,ChemDoodle.iChemLabs,jQuery,document); (function(d,e){d.MovieCanvas3D=function(a,f,j){a&&this.create(a,f,j);this.timeout=50;this.molecules=[];this.frameNumber=0;this.playMode=2;this.reverse=false;return true};d.MovieCanvas3D.PLAY_ONCE=0;d.MovieCanvas3D.PLAY_LOOP=1;d.MovieCanvas3D.PLAY_SPRING=2;d.MovieCanvas3D.prototype=new d._Canvas3D;d.MovieCanvas3D.prototype.startAnimation=d._AnimatorCanvas.prototype.startAnimation;d.MovieCanvas3D.prototype.stopAnimation=d._AnimatorCanvas.prototype.stopAnimation;d.MovieCanvas3D.prototype.isRunning=d._AnimatorCanvas.prototype.isRunning; d.MovieCanvas3D.prototype.dblclick=d.RotatorCanvas.prototype.dblclick;d.MovieCanvas3D.prototype.nextFrame=function(){this.molecule=this.molecules[this.frameNumber];if(this.playMode==2&&this.reverse){this.frameNumber--;if(this.frameNumber<0){this.frameNumber=1;this.reverse=false}}else{this.frameNumber++;if(this.frameNumber>=this.molecules.length)if(this.playMode==2){this.frameNumber-=2;this.reverse=true}else{this.frameNumber=0;this.playMode==0&&this.stopAnimation()}}};d.MovieCanvas3D.prototype.center= function(){var a=this.molecule.getCenter3D(),f=new e.Atom;f.sub3D(a);a=0;for(var j=this.molecules.length;a71&&g.atomicNumber<90||g.atomicNumber>103)&&g.atomicNumber<113){this.cells.push(new f(g,j,y,this.cellDimension));j+=this.cellDimension;c++}}y+=2*this.cellDimension;j=3*this.cellDimension+this.padding;for(k=57;k<104;k++){g=d.ELEMENT[d.SYMBOLS[k]];if(g.atomicNumber==90){y+=this.cellDimension;j=3*this.cellDimension+this.padding}if(g.atomicNumber>=58&&g.atomicNumber<=71||g.atomicNumber>=90&&g.atomicNumber<=103){this.cells.push(new f(g, j,y,this.cellDimension));j+=this.cellDimension}}};d.PeriodicTableCanvas.prototype.drawCell=function(j,c,k){var b=j.createRadialGradient(k.x+k.dimension/3,k.y+k.dimension/3,k.dimension*1.5,k.x+k.dimension/3,k.y+k.dimension/3,k.dimension/10);b.addColorStop(0,"#000000");b.addColorStop(0.7,k.element.jmolColor);b.addColorStop(1,"#FFFFFF");j.fillStyle=b;e.contextRoundRect(j,k.x,k.y,k.dimension,k.dimension,k.dimension/8);if(k==this.hovered||k==this.selected){j.lineWidth=2;j.strokeStyle="#c10000";j.stroke(); j.fillStyle="white"}j.fill();j.font=c.getFontString(c.text_font_size,c.text_font_families);j.fillStyle=c.text_color;j.textAlign="center";j.textBaseline="middle";j.fillText(k.element.symbol,k.x+k.dimension/2,k.y+k.dimension/2)};d.PeriodicTableCanvas.prototype.click=function(){if(this.hovered!=null){this.selected=this.hovered;this.repaint()}};d.PeriodicTableCanvas.prototype.mousemove=function(j){var c=j.p.x;j=j.p.y;this.hovered=null;for(var k=0,b=this.cells.length;k");for(var f=0,j=this.reactants.length;f< j;f++){f>0&&a.writeln(''+this.plus+"");a.writeln("");var c=this.reactants[f].getDimension();c=new d.ViewerCanvas(this.name+"_reactant"+f,c.x+60,c.y+60);this.specs.backgroundColor==null&&e("#"+this.name+"_reactant"+f).css("border","0px");c.specs=this.specs;c.loadMolecule(this.reactants[f]);a.writeln("")}a.writeln("");a.writeln("");a.writeln("");a.writeln('");a.writeln("");a.writeln("
");this.textAbove!=null?a.writeln("
"+this.textAbove+"
"):a.writeln(" "); a.writeln("
'+this.arrow+"
");this.textBelow!=null?a.writeln("
"+this.textBelow+"
"):a.writeln(" ");a.writeln("
");a.writeln("");f=0;for(j=this.products.length;f0&&a.writeln(''+this.plus+"");a.writeln("");c=this.products[f].getDimension();c=new d.ViewerCanvas(this.name+"_product"+ f,c.x+60,c.y+60);this.specs.backgroundColor==null&&e("#"+this.name+"_product"+f).css("border","0px");c.specs=this.specs;c.loadMolecule(this.products[f]);a.writeln("")}a.writeln("")}})(ChemDoodle,jQuery,document);(function(d,e,a){d.png={};d.png.create=function(f){a.open(e.getElementById(f.id).toDataURL("image/png"))}})(ChemDoodle.io,document,window);