7298.b7b5d26719d4da6e.js

js notetube.ai collected 2026-10-05 14:14:55 UTC 180,600 bytes, 1 lines download raw bytes

1!function(){try{var t="undefined"!=typeof window?window:"undefined"!=typeof global?global:"undefined"!=typeof globalThis?globalThis:"undefined"!=typeof self?self:{};t._sentryModuleMetadata=t._sentryModuleMetadata||{},t._sentryModuleMetadata[(new t.Error).stack]=function(t){for(var e=1;e<arguments.length;e++){var i=arguments[e];if(null!=i)for(var r in i)i.hasOwnProperty(r)&&(t[r]=i[r])}return t}({},t._sentryModuleMetadata[(new t.Error).stack],{"_sentryBundlerPluginAppKey:notetube-web":!0});var e=(new t.Error).stack;e&&(t._sentryDebugIds=t._sentryDebugIds||{},t._sentryDebugIds[e]="42598aff-18c9-4be1-90ce-f2c6c9c0ab76",t._sentryDebugIdIdentifier="sentry-dbid-42598aff-18c9-4be1-90ce-f2c6c9c0ab76")}catch(t){}}();"use strict";(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[7298],{37298:(t,e,i)=>{i.r(e),i.d(e,{default:()=>eL});class r{static clone(t){let e=Array.isArray(t)?[]:{};for(let i in t){let n=t[i];"function"==typeof n.clone?e[i]=n.clone():e[i]="object"==typeof 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i=0;i<t.length;i++){let n=t[i];n instanceof Array?e[i]=r.deepCopy(n):e[i]=n}return e}}class n{addNeighbouringElement(t){this.neighbouringElements.push(t)}attachPseudoElement(t,e){let i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:0,r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:0;null===i&&(i=0),null===r&&(r=0);let n=i+t+r;this.attachedPseudoElements[n]?this.attachedPseudoElements[n].count+=1:this.attachedPseudoElements[n]={element:t,count:1,hydrogenCount:i,previousElement:e,charge:r},this.hasAttachedPseudoElements=!0}getAttachedPseudoElements(){let t={};return Object.keys(this.attachedPseudoElements).sort().forEach(e=>{t[e]=this.attachedPseudoElements[e]}),t}getAttachedPseudoElementsCount(){return Object.keys(this.attachedPseudoElements).length}isHeteroAtom(){return"C"!==this.element&&"H"!==this.element}addAnchoredRing(t){r.contains(this.anchoredRings,{value:t})||this.anchoredRings.push(t)}getRingbondCount(){return this.ringbonds.length}backupRings(){this.originalRings=Array(this.rings.length);for(let t=0;t<this.rings.length;t++)this.originalRings[t]=this.rings[t]}restoreRings(){this.rings=Array(this.originalRings.length);for(let t=0;t<this.originalRings.length;t++)this.rings[t]=this.originalRings[t]}haveCommonRingbond(t,e){for(let i=0;i<t.ringbonds.length;i++)for(let r=0;r<e.ringbonds.length;r++)if(t.ringbonds[i].id==e.ringbonds[r].id)return!0;return!1}neighbouringElementsEqual(t){if(t.length!==this.neighbouringElements.length)return!1;t.sort(),this.neighbouringElements.sort();for(let e=0;e<this.neighbouringElements.length;e++)if(t[e]!==this.neighbouringElements[e])return!1;return!0}getAtomicNumber(){return n.atomicNumbers[this.element]}countImplicitHydrogens(){if(this.bracket)if(this.bracket.chirality)return 0;else return this.bracket.hcount||0;let t=this.bondCount;if(this.isPartOfAromaticRing){if("C"!==this.element)return 0;t+=1}let e=n.VALENCES[this.element];if(void 0===e)return 0;let i=e.find(e=>e>=t);return void 0!==i?i-t:0}static get atomicNumbers(){return{H:1,He:2,Li:3,Be:4,B:5,b:5,C:6,c:6,N:7,n:7,O:8,o:8,F:9,Ne:10,Na:11,Mg:12,Al:13,Si:14,P:15,p:15,S:16,s:16,Cl:17,Ar:18,K:19,Ca:20,Sc:21,Ti:22,V:23,Cr:24,Mn:25,Fe:26,

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1ain=!1,this.hydrogenDirection="down",this.subtreeDepth=1,this.hasHydrogen=!1,this.class=void 0}}n.VALENCES={H:[1],B:[3],C:[4],N:[3,5],O:[2],F:[1],P:[3,5],S:[2,4,6],Cl:[1],Br:[1],I:[1]};class s{static round(t,e){if(!e)return Math.round(t);{let i=Math.pow(10,e);return Math.round(t*i)/i}}static meanAngle(t){let e=0,i=0;for(let r=0;r<t.length;r++)e+=Math.sin(t[r]),i+=Math.cos(t[r]);return Math.atan2(e/t.length,i/t.length)}static innerAngle(t){return s.toRad((t-2)*180/t)}static polyCircumradius(t,e){return t/(2*Math.sin(Math.PI/e))}static apothem(t,e){return t*Math.cos(Math.PI/e)}static apothemFromSideLength(t,e){let i=s.polyCircumradius(t,e);return s.apothem(i,e)}static centralAngle(t){return s.toRad(360/t)}static toDeg(t){return t*s.degFactor}static toRad(t){return t*s.radFactor}static parityOfPermutation(t){let e=new Uint8Array(t.length),i=0,r=function(i){let n=arguments.length>1&&void 0!==arguments[1]?arguments[1]:0;return 1===e[i]?n:(n++,e[i]=1,r(t[i],n))};for(let n=0;n<t.length;n++)1!==e[n]&&(i+=1-r(n)%2);return i%2?-1:1}static get radFactor(){return Math.PI/180}static get degFactor(){return 180/Math.PI}static get twoPI(){return 2*Math.PI}}class l{clone(){return new l(this.x,this.y)}toString(){return"("+this.x+","+this.y+")"}add(t){return this.x+=t.x,this.y+=t.y,this}subtract(t){return this.x-=t.x,this.y-=t.y,this}divide(t){return this.x/=t,this.y/=t,this}multiply(t){return this.x*=t.x,this.y*=t.y,this}multiplyScalar(t){return this.x*=t,this.y*=t,this}invert(){return this.x=-this.x,this.y=-this.y,this}angle(){return Math.atan2(this.y,this.x)}distance(t){return Math.sqrt((t.x-this.x)*(t.x-this.x)+(t.y-this.y)*(t.y-this.y))}distanceSq(t){return(t.x-this.x)*(t.x-this.x)+(t.y-this.y)*(t.y-this.y)}clockwise(t){let e=this.y*t.x,i=this.x*t.y;return e>i?-1:+(e!==i)}relativeClockwise(t,e){let i=(this.y-t.y)*(e.x-t.x),r=(this.x-t.x)*(e.y-t.y);return i>r?-1:+(i!==r)}rotate(t){let e=new l(0,0),i=Math.cos(t),r=Math.sin(t);return e.x=this.x*i-this.y*r,e.y=this.x*r+this.y*i,this.x=e.x,this.y=e.y,this}rotateAround(t,e){let i=Math.sin(t),r=Math.cos(t);this.x-=e.x,this.y-=e.y;let n=this.x*r-this.y*i,s=this.x*i+this.y*r;return this.x=n+e.x,this.y=s+e.y,this}rotateTo(t,e){let i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:0;this.x+=.001,this.y-=.001;let r=l.subtract(this,e),n=l.subtract(t,e),s=l.angle(n,r);return this.rotateAround(s+i,e),this}rotateAwayFrom(t,e,i){this.rotateAround(i,e);let r=this.distanceSq(t);this.rotateAround(-2*i,e),this.distanceSq(t)<r&&this.rotateAround(2*i,e)}getRotateAwayFromAngle(t,e,i){let r=this.clone();r.rotateAround(i,e);let n=r.distanceSq(t);return(r.rotateAround(-2*i,e),r.distanceSq(t)<n)?i:-i}getRotateTowardsAngle(t,e,i){let r=this.clone();r.rotateAround(i,e);let n=r.distanceSq(t);return(r.rotateAround(-2*i,e),r.distanceSq(t)>n)?i:-i}getRotateToAngle(t,e){let i=l.subtract(this,e),r=l.subtract(t,e),n=l.angle(r,i);return Number.isNaN(n)?0:n}isInPolygon(t){let e=!1;for(let i=0,r=t.length-1;i<t.length;r=i++){let n=t[i],s=t[r];n.y>this.y!=s.y>this.y&&this.x<(s.x-n.x)*(this.y-n.y)/(s.y-n.y)+n.x&&(e=!e)}return e}length(){return Math.sqrt(this.x*this.x+this.y*this.y)}lengthSq(){return this.x*this.x+this.y*this.y}normalize(){return this.divide(this.length()),this}normalized(){return l.divideScalar(this,this.length())}whichSide(t,e){return(this.x-t.x)*(e.y-t.y)-(this.y-t.y)*(e.x-t.x)}sameSideAs(t,e,i){let r=this.whichSide(t,e),n=i.whichSide(t,e);return r<0&&n<0||0==r&&0==n||r>0&&n>0}static add(t,e){return new l(t.x+e.x,t.y+e.y)}static subtract(t,e){return new l(t.x-e.x,t.y-e.y)}static multiply(t,e){return new l(t.x*e.x,t.y*e.y)}static multiplyScalar(t,e){return new l(t.x,t.y).multiplyScalar(e)}static midpoint(t,e){return new l((t.x+e.x)/2,(t.y+e.y)/2)}static normals(t,e){let i=l.subtract(e,t);return[new l(-i.y,i.x),new l(i.y,-i.x)]}static units(t,e){let i=l.subtract(e,t);return[new l(-i.y,i.x).normalize(),new l(i.y,-i.x).normalize()]}static divide(t,e){return new l(t.x/e.x,t.y/e.y)}static divideScalar(t,e){return new l(t.x/e,t.y/e)}static dot(t,e){return t.x*e.x+t.y*e.y}static angle(t,e){return Math.acos(l.dot(t,e)/(t.length()*e.length()))}static threePointangle(t,e,i){let r=l.subtract(e,t),n=l.subtract(i,e),s=t.distance(e),o=e.distance(i);

1return Math.acos(l.dot(r,n)/(s*o))}static scalarProjection(t,e){let i=e.normalized();return l.dot(t,i)}static averageDirection(t){let e=new l(0,0);for(let i=0;i<t.length;i++){let r=t[i];e.add(r)}return e.normalize()}constructor(t,e){0==arguments.length?(this.x=0,this.y=0):t instanceof l?(this.x=t.x,this.y=t.y):(this.x=t,this.y=e)}}class o{setPosition(t,e){this.position.x=t,this.position.y=e}setPositionFromVector(t){this.position.x=t.x,this.position.y=t.y}addChild(t){this.children.push(t),this.neighbours.push(t),this.neighbourCount++}addRingbondChild(t,e){if(this.children.push(t),this.value.bracket){let i=1;0===this.id&&0===this.value.bracket.hcount&&(i=0),1===this.value.bracket.hcount&&0===e&&(i=2),1===this.value.bracket.hcount&&1===e&&(i=this.neighbours.length<3?2:3),null===this.value.bracket.hcount&&0===e&&(i=1),null===this.value.bracket.hcount&&1===e&&(i=this.neighbours.length<3?1:2),this.neighbours.splice(i,0,t)}else this.neighbours.push(t);this.neighbourCount++}setParentVertexId(t){this.neighbourCount++,this.parentVertexId=t,this.neighbours.push(t)}isTerminal(){return!!this.value.hasAttachedPseudoElements||null===this.parentVertexId&&this.children.length<2||0===this.children.length}clone(){let t=new o(this.value,this.position.x,this.position.y);return t.id=this.id,t.previousPosition=new l(this.previousPosition.x,this.previousPosition.y),t.parentVertexId=this.parentVertexId,t.children=r.clone(this.children),t.spanningTreeChildren=r.clone(this.spanningTreeChildren),t.edges=r.clone(this.edges),t.positioned=this.positioned,t.angle=this.angle,t.forcePositioned=this.forcePositioned,t}equals(t){return this.id===t.id}getAngle(){let t=arguments.length>0&&void 0!==arguments[0]?arguments[0]:null,e=arguments.length>1&&void 0!==arguments[1]&&arguments[1],i=null;return(i=t?l.subtract(this.position,t):l.subtract(this.position,this.previousPosition),e)?s.toDeg(i.angle()):i.angle()}getTextDirection(t){let e=arguments.length>1&&void 0!==arguments[1]&&arguments[1],i=this.getDrawnNeighbours(t),r=[];if(1===t.length)return"right";for(let e=0;e<i.length;e++)r.push(this.getAngle(t[i[e]].position));let n=s.meanAngle(r);if(this.isTerminal()||e)Math.round(100*n)/100==1.57&&(n-=.2),n=Math.round(Math.round(n/Math.PI)*Math.PI);else{let t=Math.PI/2;n=Math.round(Math.round(n/t)*t)}return 2===n?"down":-2===n?"up":0===n?"right":3===n||-3===n?"left":"down"}getNeighbours(){let t=arguments.length>0&&void 0!==arguments[0]?arguments[0]:null;if(null===t)return this.neighbours.slice();let e=[];for(let i=0;i<this.neighbours.length;i++)this.neighbours[i]!==t&&e.push(this.neighbours[i]);return e}getDrawnNeighbours(t){let e=[];for(let i=0;i<this.neighbours.length;i++)t[this.neighbours[i]].value.isDrawn&&e.push(this.neighbours[i]);return e}getNeighbourCount(){return this.neighbourCount}getSpanningTreeNeighbours(){let t=arguments.length>0&&void 0!==arguments[0]?arguments[0]:null,e=[];for(let i=0;i<this.spanningTreeChildren.length;i++)(void 0===t||t!=this.spanningTreeChildren[i])&&e.push(this.spanningTreeChildren[i]);return null!=this.parentVertexId&&(void 0===t||t!=this.parentVertexId)&&e.push(this.parentVertexId),e}getNextInRing(t,e,i){let n=this.getNeighbours();for(let s=0;s<n.length;s++)if(r.contains(t[n[s]].value.rings,{value:e})&&n[s]!=i)return n[s];return null}constructor(t,e=0,i=0){this.id=null,this.value=t,this.position=new l(e||0,i||0),this.previousPosition=new l(0,0),this.parentVertexId=null,this.children=[],this.spanningTreeChildren=[],this.edges=[],this.positioned=!1,this.angle=null,this.dir=1,this.neighbourCount=0,this.neighbours=[],this.neighbouringElements=[],this.forcePositioned=!1}}class a{addVertex(t){this.vertices.add(t)}updateOther(t,e){this.firstRingId===e?this.secondRingId=t:this.firstRingId=t}containsRing(t){return this.firstRingId===t||this.secondRingId===t}isBridge(t){if(this.vertices.size>2)return!0;if(2===this.vertices.size){let[e,i]=[...this.vertices],r=new Set(t[i].neighbours);for(let n of t[e].neighbours)if(n!==i&&r.has(n)){let e=t[n].value.rings;if(e.includes(this.firstRingId)||e.includes(this.secondRingId))return!0}}return!1}static isBridge(t,e,i,r){let n=null;for(let s=0;s<t.length;s++)if((n=t[s]).firstRingId===i&&n.secondRingId===r||n.firstRingId===r&&n.secondRingId===i)return n.isBridge(e);return!1}static getNeighbours(t,e){let i=[];for(let r=0;r<t.length;r++){let n=t[r];n.firstRingId===e?i.push(n.secondRingId):n.secondRingId===e&&i.push(n.firstRingId)}return i}static getVertices(t,e,i){for(let r=0;r<t.length;r++){let n=t[r];

1if(n.firstRingId===e&&n.secondRingId===i||n.firstRingId===i&&n.secondRingId===e)return[...n.vertices]}}constructor(t,e){this.id=null,this.firstRingId=t.id,this.secondRingId=e.id,this.vertices=new Set;for(let i=0;i<t.members.length;i++){let r=t.members[i];for(let t=0;t<e.members.length;t++)r===e.members[t]&&this.addVertex(r)}}}class h{clone(){let t=new h(this.members);return t.id=this.id,t.insiders=r.clone(this.insiders),t.neighbours=r.clone(this.neighbours),t.positioned=this.positioned,t.center=this.center.clone(),t.rings=r.clone(this.rings),t.isBridged=this.isBridged,t.isPartOfBridged=this.isPartOfBridged,t.isSpiro=this.isSpiro,t.isFused=this.isFused,t.centralAngle=this.centralAngle,t.canFlip=this.canFlip,t}getSize(){return this.members.length}getPolygon(t){let e=[];for(let i=0;i<this.members.length;i++)e.push(t[this.members[i]].position);return e}getAngle(){return Math.PI-this.centralAngle}eachMember(t,e,i,r){let n=i=i||0===i?i:this.members[0],s=0;for(;null!=n&&s<100;){let l=n;e(l),n=t[n].getNextInRing(t,this.id,r),r=l,n==i&&(n=null),s++}}getOrderedNeighbours(t){let e=Array(this.neighbours.length);for(let i=0;i<this.neighbours.length;i++){let r=a.getVertices(t,this.id,this.neighbours[i]);e[i]={n:r.length,neighbour:this.neighbours[i]}}return e.sort((t,e)=>e.n-t.n),e}isBenzeneLike(t){let e=this.getDoubleBondCount(t),i=this.members.length;return 3===e&&6===i||2===e&&5===i}getDoubleBondCount(t){let e=0;for(let i=0;i<this.members.length;i++){let r=t[this.members[i]].value;("="===r.bondType||"="===r.branchBond)&&e++}return e}contains(t){for(let e=0;e<this.members.length;e++)if(this.members[e]==t)return!0;return!1}constructor(t){this.id=null,this.members=t,this.edges=[],this.insiders=[],this.neighbours=[],this.positioned=!1,this.center=new l(0,0),this.rings=[],this.isBridged=!1,this.isPartOfBridged=!1,this.isSpiro=!1,this.isFused=!1,this.centralAngle=0,this.canFlip=!0}}function g(t){return t?1===t?"+":-1===t?"-":t>0?t+"+":t+"-":""}class d{updateSize(t,e){this.ratio=window.devicePixelRatio||1,1!==this.ratio?(this.canvas.width=t*this.ratio,this.canvas.height=e*this.ratio,this.canvas.style.width=t+"px",this.canvas.style.height=e+"px",this.ctx.setTransform(this.ratio,0,0,this.ratio,0,0)):(this.canvas.width=t*this.ratio,this.canvas.height=e*this.ratio)}setTheme(t){this.colors=t}scale(t){let e=-Number.MAX_VALUE,i=-Number.MAX_VALUE,r=Number.MAX_VALUE,n=Number.MAX_VALUE;for(let s=0;s<t.length;s++){if(!t[s].value.isDrawn)continue;let l=t[s].position;e<l.x&&(e=l.x),i<l.y&&(i=l.y),r>l.x&&(r=l.x),n>l.y&&(n=l.y)}let s=this.opts.padding;e+=s,i+=s,r-=s,n-=s,this.drawingWidth=e-r,this.drawingHeight=i-n;let l=this.canvas.offsetWidth/this.drawingWidth,o=this.canvas.offsetHeight/this.drawingHeight,a=l<o?l:o;this.ctx.scale(a,a),this.offsetX=-r,this.offsetY=-n,l<o?this.offsetY+=this.canvas.offsetHeight/(2*a)-this.drawingHeight/2:this.offsetX+=this.canvas.offsetWidth/(2*a)-this.drawingWidth/2}reset(){this.ctx.setTransform(1,0,0,1,0,0)}getColor(t){return(t=t.toUpperCase())in this.colors?this.colors[t]:this.colors.C}drawCircle(t,e,i,r){let n=!(arguments.length>4)||void 0===arguments[4]||arguments[4],l=arguments.length>5&&void 0!==arguments[5]&&arguments[5],o=arguments.length>6&&void 0!==arguments[6]?arguments[6]:"",a=this.ctx,h=this.offsetX,g=this.offsetY;a.save(),a.lineWidth=1.5,a.beginPath(),a.arc(t+h,e+g,i,0,s.twoPI,!0),a.closePath(),l?(n?(a.fillStyle="#f00",a.fill()):(a.strokeStyle="#f00",a.stroke()),this.drawDebugText(t,e,o)):n?(a.fillStyle=r,a.fill()):(a.strokeStyle=r,a.stroke()),a.restore()}drawLine(t){let e=arguments.length>1&&void 0!==arguments[1]&&arguments[1],i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:1,r=this.ctx,n=this.offsetX,s=this.offsetY,l=t.clone().shorten(4),o=l.getLeftVector().clone(),a=l.getRightVector().clone();o.x+=n,o.y+=s,a.x+=n,a.y+=s,e||(r.save(),r.globalCompositeOperation="destination-out",r.beginPath(),r.moveTo(o.x,o.y),r.lineTo(a.x,a.y),r.lineCap="round",r.lineWidth=this.opts.bondThickness+1.2,r.strokeStyle=this.themeManager.getColor("BACKGROUND"),r.stroke(),r.globalCompositeOperation="source-over",r.restore(

1)),o=t.getLeftVector().clone(),a=t.getRightVector().clone(),o.x+=n,o.y+=s,a.x+=n,a.y+=s,r.save(),r.beginPath(),r.moveTo(o.x,o.y),r.lineTo(a.x,a.y),r.lineCap="round",r.lineWidth=this.opts.bondThickness;let h=this.ctx.createLinearGradient(o.x,o.y,a.x,a.y);h.addColorStop(.4,this.themeManager.getColor(t.getLeftElement())||this.themeManager.getColor("C")),h.addColorStop(.6,this.themeManager.getColor(t.getRightElement())||this.themeManager.getColor("C")),e&&(r.setLineDash([1,1.5]),r.lineWidth=this.opts.bondThickness/1.5),i<1&&(r.globalAlpha=i),r.strokeStyle=h,r.stroke(),r.restore()}drawWedge(t){if(arguments.length>1&&void 0!==arguments[1]&&arguments[1],isNaN(t.from.x)||isNaN(t.from.y)||isNaN(t.to.x)||isNaN(t.to.y))return;let e=this.ctx,i=this.offsetX,r=this.offsetY,n=t.clone().shorten(5),s=n.getLeftVector().clone(),o=n.getRightVector().clone();s.x+=i,s.y+=r,o.x+=i,o.y+=r,s=t.getLeftVector().clone(),o=t.getRightVector().clone(),s.x+=i,s.y+=r,o.x+=i,o.y+=r,e.save();let a=l.normals(s,o);a[0].normalize(),a[1].normalize();let h=t.getRightChiral(),g=s,d=o;h&&(g=o,d=s);let u=l.add(g,l.multiplyScalar(a[0],this.halfBondThickness)),c=l.add(d,l.multiplyScalar(a[0],1.5+this.halfBondThickness)),f=l.add(d,l.multiplyScalar(a[1],1.5+this.halfBondThickness)),p=l.add(g,l.multiplyScalar(a[1],this.halfBondThickness));e.beginPath(),e.moveTo(u.x,u.y),e.lineTo(c.x,c.y),e.lineTo(f.x,f.y),e.lineTo(p.x,p.y);let m=this.ctx.createRadialGradient(o.x,o.y,this.opts.bondLength,o.x,o.y,0);m.addColorStop(.4,this.themeManager.getColor(t.getLeftElement())||this.themeManager.getColor("C")),m.addColorStop(.6,this.themeManager.getColor(t.getRightElement())||this.themeManager.getColor("C")),e.fillStyle=m,e.fill(),e.restore()}drawDashedWedge(t){let e,i,r,n;if(isNaN(t.from.x)||isNaN(t.from.y)||isNaN(t.to.x)||isNaN(t.to.y))return;let s=this.ctx,o=this.offsetX,a=this.offsetY,h=t.getLeftVector().clone(),g=t.getRightVector().clone();h.x+=o,h.y+=a,g.x+=o,g.y+=a,s.save();let d=l.normals(h,g);d[0].normalize(),d[1].normalize();let u=t.getRightChiral(),c=t.clone();u?(e=g,i=h,c.shortenRight(1),r=c.getRightVector().clone(),n=c.getLeftVector().clone()):(e=h,i=g,c.shortenLeft(1),r=c.getLeftVector().clone(),n=c.getRightVector().clone()),r.x+=o,r.y+=a,n.x+=o,n.y+=a;let f=l.subtract(i,e).normalize();s.strokeStyle=this.themeManager.getColor("C"),s.lineCap="round",s.lineWidth=this.opts.bondThickness,s.beginPath();let p=t.getLength(),m=1.25/(p/(3*this.opts.bondThickness)),b=!1;for(let i=0;i<1;i+=m){let r=l.multiplyScalar(f,i*p),n=l.add(e,r),o=1.5*i,a=l.multiplyScalar(d[0],o);!b&&i>.5&&(s.stroke(),s.beginPath(),s.strokeStyle=this.themeManager.getColor(t.getRightElement())||this.themeManager.getColor("C"),b=!0),n.subtract(a),s.moveTo(n.x,n.y),n.add(l.multiplyScalar(a,2)),s.lineTo(n.x,n.y)}s.stroke(),s.restore()}drawDebugText(t,e,i){let r=this.ctx;r.save(),r.font="5px Droid Sans, sans-serif",r.textAlign="start",r.textBaseline="top",r.fillStyle="#ff0000",r.fillText(i,t+this.offsetX,e+this.offsetY),r.restore()}drawBall(t,e,i){let r=this.ctx;r.save(),r.beginPath(),r.arc(t+this.offsetX,e+this.offsetY,this.opts.bondLength/4.5,0,s.twoPI,!1),r.fillStyle=this.themeManager.getColor(i),r.fill(),r.restore()}drawPoint(t,e,i){let r=this.ctx,n=this.offsetX,l=this.offsetY;r.save(),r.globalCompositeOperation="destination-out",r.beginPath(),r.arc(t+n,e+l,1.5,0,s.twoPI,!0),r.closePath(),r.fill(),r.globalCompositeOperation="source-over",r.beginPath(),r.arc(t+this.offsetX,e+this.offsetY,.75,0,s.twoPI,!1),r.fillStyle=this.themeManager.getColor(i),r.fill(),r.restore()}drawText(t,e,i,r,n,l,o,a,h){let d=arguments.length>9&&void 0!==arguments[9]?arguments[9]:{},u=this.ctx,c=this.offsetX,f=this.offsetY;u.save(),u.textAlign="start",u.textBaseline="alphabetic";let p="",m=0;o&&(p=g(o),u.font=this.fontSmall,m=u.measureText(p).width);let b="0",v=0;a>0&&(b=a.toString(),u.font=this.fontSmall,v=u.measureText(b).width),1===o&&"N"===i&&"0O"in d&&"0O-1"in d&&(d={"0O":{element:"O",count:2,hydrogenCount:0,previousElement:"C",charge:""}},o=0),u.font=this.fontLarge,u.fillStyle=this.themeManager.getColor("BACKGROUND");let w=u.measureText(i),y=w.width>this.opts.fontSizeLarge?w.width:this.opts.fontSizeLarge;y/=1.5,u.globalCompositeOperation="destination-out",u.beginPath(),u.arc(t+c,e+f,y,0,s.twoPI,!0),u.closePath(),u.fill(),u.globalCompositeOperation="source-over";let S=-w.width/2,x=-w.width/2;u.fillStyle=this.themeManager.getColor(i),u.fillText(i,t+c+S,e+this.opts.halfFontSizeLarge+f),S+=w.width,o&&(u.font=this.fontSmall,u.fillText(p,t+c+S,e-this.opts.fifthFontSizeSmall+f),S+=m),a>0&&(u.font=this.fontSmall,u.fillText(b,t+c+x-v,e-this.opts.fifthFontSizeSmall+f),x-=v),u.font=this.fontLarge;let A=0,C=0;if(1===r){let i=t+c,r=e+f+this.opts.halfFontSizeLarge;x-=A=this.hydrogenWidth,"left"===n?i+=x:"right"===n||"up"===n&&l||"down"===n&&l?i+=S:"up"!==n||l?"down"!==n||l||(r+=this.opts.fontSizeLarge+this.opts.quarterFontSizeLarge,i-=this.halfHydrogenWidth):(r-=this.opts.fontSizeLarge+this.opts.quarterFontSizeLarge,i-=this.halfHydrogenWidth),u.fillText("H",i,r),S+=A}else if(r>1){let i=t+c,s=e+f+this.opts.halfFontSizeLarge;A=this.hydrogenWidth,u.font=this.fontSmall,x-=A+(C=u.measureText(r.toString()).width),"left"===n?i+=x:"right"===n||"up"===n&&l||"down"===n&&l?i+=S:"up"!==n||l?"down"!==n||l||(s+=this.opts.fontSizeLarge+this.opts.quarterFontSizeLarge,i-=this.halfHydrogenWidth):(s-=this.opts.fontSizeLarge+this.opts.quarterFontSizeLarge,i-=this.halfHydrogenWidth),u.font=this.fontLarge,u.fillText("H",i,s),u.font=this.fontSmall,u.fillText(r.toString(),i+this.halfHydrogenWidth+C,s+this.opts.fifthFontSizeSmall),S+=A+this.halfHydrogenWidth+C}for(let i of Object.keys(d)){let r=0,s=0,l=d[i].element,o=d[i].count,a=d[i].hydrogenCount,h=d[i].charge;u.font=this.fontLarge,o>1&&a>0&&(r=u.measureText("(").width,s=u.measureText(")").width);let p=u.measureText(l).width,m=0,b="",v=0;A=0,a>0&&(A=this.hydrogenWidth),u.font=this.fontSmall,o>1&&(m=u.measureText(o).width),0!==h&&(b=g(h),v=u.measureText(b).width),C=0,a>1&&(C=u.measureText(a).width),u.font=this.fontLarge;let w=t+c,y=e+f+this.opts.halfFontSizeLarge;u.fillStyle=this.themeManager.getColor(l),o>0&&(x-=m),o>1&&a>0&&("left"===n?(x-=s,u.fillText(")",w+x,y)):(u.fillText("(",w+S,y),S+=r)),"left"===n?(x-=p,u.fillText(l,w+x,y)):(u.fillText(l,w+S,y),S+=p),a>0&&("left"===n?(x-=A+C,u.fillText("H",w+x,y),a>1&&(u.font=this.fontSmall,u.fillText(a,w+x+A,y+this.opts.fifthFontSizeSmall))):(u.fillText("H",w+S,y),S+=A,a>1&&(u.font=this.fontSmall,u.fillText(a,w+S,y+this.opts.fifthFontSizeSmall),S+=C))),u.font=this.fontLarge,o>1&&a>0&&("left"===n?(x-=r,u.fillText("(",w+x,y)):(u.fillText(")",w+S,y),S+=s)),u.font=this.fontSmall,o>1&&("left"===n?u.fillText(o,w+x+r+s+A+C+p,y+this.opts.fifthFontSizeSmall):(u.fillText(o,w+S,y+this.opts.fifthFontSizeSmall),S+=m)),0!==h&&("left"===n?u.fillText(b,

1w+x+r+s+A+C+p,e-this.opts.fifthFontSizeSmall+f):(u.fillText(b,w+S,e-this.opts.fifthFontSizeSmall+f),S+=v))}u.restore()}drawDebugPoint(t,e){let i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:"",r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:"#f00";this.drawCircle(t,e,2,r,!0,!0,i)}drawAromaticityRing(t){let e=this.ctx,i=s.apothemFromSideLength(this.opts.bondLength,t.getSize());e.save(),e.strokeStyle=this.themeManager.getColor("C"),e.lineWidth=this.opts.bondThickness,e.beginPath(),e.arc(t.center.x+this.offsetX,t.center.y+this.offsetY,i-this.opts.bondSpacing,0,2*Math.PI,!0),e.closePath(),e.stroke(),e.restore()}clear(){this.ctx.clearRect(0,0,this.canvas.offsetWidth,this.canvas.offsetHeight)}constructor(t,e,i){let r=null;if((r=t instanceof String?document.getElementById(t.valueOf()):"string"==typeof t?document.getElementById(t):t)instanceof HTMLCanvasElement)this.canvas=r;else throw Error("First argument was not a canvas or the ID of a canvas.");this.ctx=this.canvas.getContext("2d"),this.themeManager=e,this.opts=i,this.drawingWidth=0,this.drawingHeight=0,this.offsetX=0,this.offsetY=0,this.fontLarge=this.opts.fontSizeLarge+"pt Helvetica, Arial, sans-serif",this.fontSmall=this.opts.fontSizeSmall+"pt Helvetica, Arial, sans-serif",this.updateSize(this.opts.width,this.opts.height),this.ctx.font=this.fontLarge,this.hydrogenWidth=this.ctx.measureText("H").width,this.halfHydrogenWidth=this.hydrogenWidth/2,this.halfBondThickness=this.opts.bondThickness/2}}class u{static build(t,e){let i=new u(t,e,null,new Map);return i.findChildren(),i.sortChildren(),i}static compareAtoms(t,e){if(t.atomicNumber!==e.atomicNumber)return[e.atomicNumber-t.atomicNumber,!1];if(t.cloneDepth&&e.cloneDepth){let i=t.cloneDepth-e.cloneDepth;if(0!==i)return[i,!1]}return t.atomicWeight!==e.atomicWeight?[e.atomicWeight-t.atomicWeight,!1]:[0,t.stereocenter||e.stereocenter]}static compareTrees(t,e){let i=this.compareAtoms(t,e);if(0!==i[0])return i;let r=[t],n=[e],s=!1;for(;0!==r.length;){for(let t=0;t<r.length;++t){let e=r[t].findChildren(),l=n[t].findChildren(),o=Math.max(e.length,l.length);for(let t=0;t<o;++t){if(t>=e.length)return[1,!1];if(t>=l.length)return[-1,!1];if(0!==(i=this.compareAtoms(e[t],l[t]))[0])return i;s||(s=i[1])}}r=r.flatMap(t=>t.sortChildren()),n=n.flatMap(t=>t.sortChildren())}return[0,s]}findChildren(){if(void 0===this.children){this.children=[];let t=this.visited.size+1,e=new Map(this.visited);for(let i of(e.set(this.vertex,t),this.visited=null,this.vertex.neighbours)){let r=this.graph.getEdge(this.vertex.id,i).weight;if(!r)continue;let n=this.graph.vertices[i],s=e.get(n);if(Object.is(n,this.parent))r-=1;else if(void 0===s){let i=new u(this.graph,n,this.vertex,e);this.children.push(i),s=t+1,r-=1}if(r>0){let t=new u(this.graph,n,this.vertex,s);for(;r-- >0;)this.children.push(t)}}if(this.vertex.value.isPartOfAromaticRing){let t=new u(this.graph,6,this.vertex);this.children.push(t)}let i=this.vertex.value.countImplicitHydrogens();if(i>0){let t=new u(this.graph,1,this.vertex);for(;i-- >0;)this.children.push(t)}this.children.sort((t,e)=>u.compareAtoms(t,e)[0])}return this.children}size(){return void 0!==this.children?this.children.reduce((t,e)=>t+e.size(),1):1}sortChildren(){return this.sorted||(this.children.sort((t,e)=>{let[i,r]=u.compareTrees(t,e);if(r&&this.stereocenter)if("@"===this.vertex.value.bracket.chirality)return e.vertex.id-t.vertex.id;else return t.vertex.id-e.vertex.id;return i}),this.sorted=!0),this.children}constructor(t,e,i,r){this.graph=t,this.parent=i,e instanceof o?(this.vertex=e,this.atomicNumber=e.value.getAtomicNumber(),this.atomicWeight=0,this.stereocenter=!!(e.value.bracket&&e.value.bracket.chirality)):(this.vertex=null,this.atomicNumber=e,this.atomicWeight=0,this.stereocenter=!1),r instanceof Map?(this.cloneDepth=void 0,this.visited=r,this.children=void 0,this.sorted=!1):(this.cloneDepth=r,this.visited=null,this.children=[],this.sorted=!0,this.stereocenter=!1)}}class c{static getOrderArray(t,e){let i=u.build(t,e);for(let t=1;t<i.children.length;++t){let e=u.compareTrees(i.children[t-1],i.children[t]);if(0===e[0]&&!e[1])return}let r=e.neighbours.length,n=new Uint8Array(r);for(let t=0;t<r;++t){let r=i.children[t].vertex.id;n[t]=e.neighbours.findIndex(t=>t===r)}return n}}class f{setBondType(t){this.bondType=t,this.weight=f.bonds[t]}static get bonds(){return{".":0,"-":1,"/":1,"\\":1,"=":2,"#":3,$:4}}constructor(t,e,i=1){this.id=null,this.sourceId=t,this.targetId=e,this.weight=i,this.bondType="-",this.isPartOfAromaticRing=!1,this.center=!1,this.wedge=""}}

1class p{_init(t){arguments.length>1&&void 0!==arguments[1]&&arguments[1];let e=arguments.length>2&&void 0!==arguments[2]?arguments[2]:null,i=arguments.length>3&&void 0!==arguments[3]&&arguments[3],r=t.atom.element?t.atom.element:t.atom,s=new n(r,t.bond);("H"!==r||!t.hasNext&&null===e)&&(s.idx=this._atomIdx,this._atomIdx++),s.branchBond=t.branchBond,s.ringbonds=t.ringbonds,s.bracket=t.atom.element?t.atom:null,s.class=t.atom.class;let l=new o(s),a=this.vertices[e];if(this.addVertex(l),null!==s.idx&&this.atomIdxToVertexId.push(l.id),null!==e){l.setParentVertexId(e),l.value.addNeighbouringElement(a.value.element),a.addChild(l.id),a.value.addNeighbouringElement(s.element),a.spanningTreeChildren.push(l.id);let t=new f(e,l.id,1);i?t.setBondType(l.value.branchBond||"-"):t.setBondType(a.value.bondType||"-"),this.addEdge(t)}let h=t.ringbondCount+1;s.bracket&&(h+=s.bracket.hcount);let g=0;if(s.bracket&&s.bracket.chirality){s.isStereoCenter=!0,g=s.bracket.hcount;for(let t=0;t<g;t++)this._init({atom:"H",isBracket:"false",branches:[],branchCount:0,ringbonds:[],ringbondCount:!1,next:null,hasNext:!1,bond:"-"},t,l.id,!0)}for(let e=0;e<t.branchCount;e++)this._init(t.branches[e],e+h,l.id,!0);t.hasNext&&this._init(t.next,t.branchCount+h,l.id)}clear(){this.vertices=[],this.edges=[],this.vertexIdsToEdgeId={}}addVertex(t){return t.id=this.vertices.length,this.vertices.push(t),t.id}addEdge(t){let e=this.vertices[t.sourceId],i=this.vertices[t.targetId];return t.id=this.edges.length,this.edges.push(t),this.vertexIdsToEdgeId[t.sourceId+"_"+t.targetId]=t.id,this.vertexIdsToEdgeId[t.targetId+"_"+t.sourceId]=t.id,t.isPartOfAromaticRing=e.value.isPartOfAromaticRing&&i.value.isPartOfAromaticRing,e.value.bondCount+=t.weight,i.value.bondCount+=t.weight,e.edges.push(t.id),i.edges.push(t.id),t.id}getEdge(t,e){let i=this.vertexIdsToEdgeId[t+"_"+e];return void 0===i?null:this.edges[i]}getEdges(t){let e=[],i=this.vertices[t];for(let r=0;r<i.neighbours.length;r++)e.push(this.vertexIdsToEdgeId[t+"_"+i.neighbours[r]]);return e}hasEdge(t,e){return void 0!==this.vertexIdsToEdgeId[t+"_"+e]}getVertexList(){let t=[this.vertices.length];for(let e=0;e<this.vertices.length;e++)t[e]=this.vertices[e].id;return t}getEdgeList(){let t=Array(this.edges.length);for(let e=0;e<this.edges.length;e++)t[e]=[this.edges[e].sourceId,this.edges[e].targetId];return t}getAdjacencyMatrix(){let t=this.vertices.length,e=Array(t);for(let i=0;i<t;i++)e[i]=Array(t),e[i].fill(0);for(let t=0;t<this.edges.length;t++){let i=this.edges[t];e[i.sourceId][i.targetId]=1,e[i.targetId][i.sourceId]=1}return e}getComponentsAdjacencyMatrix(){let t=this.vertices.length,e=Array(t),i=this.getBridges();for(let i=0;i<t;i++)e[i]=Array(t),e[i].fill(0);for(let t=0;t<this.edges.length;t++){let i=this.edges[t];e[i.sourceId][i.targetId]=1,e[i.targetId][i.sourceId]=1}for(let t=0;t<i.length;t++)e[i[t][0]][i[t][1]]=0,e[i[t][1]][i[t][0]]=0;return e}getSubgraphAdjacencyMatrix(t){let e=t.length,i=Array(e);for(let r=0;r<e;r++){i[r]=Array(e),i[r].fill(0);for(let n=0;n<e;n++)r!==n&&this.hasEdge(t[r],t[n])&&(i[r][n]=1)}return i}getDistanceMatrix(){let t=this.vertices.length,e=this.getAdjacencyMatrix(),i=Array(t);for(let e=0;e<t;e++)i[e]=Array(t),i[e].fill(1/0);for(let r=0;r<t;r++)for(let n=0;n<t;n++)1===e[r][n]&&(i[r][n]=1);for(let e=0;e<t;e++)for(let r=0;r<t;r++)for(let n=0;n<t;n++)i[r][n]>i[r][e]+i[e][n]&&(i[r][n]=i[r][e]+i[e][n]);return i}getSubgraphDistanceMatrix(t){let e=t.length,i=this.getSubgraphAdjacencyMatrix(t),r=Array(e);for(let t=0;t<e;t++)r[t]=Array(e),r[t].fill(1/0),r[t][t]=0;for(let t=0;t<e;t++)for(let n=0;n<e;n++)1===i[t][n]&&(r[t][n]=1);for(let t=0;t<e;t++)for(let i=0;i<e;i++)for(let n=0;n<e;n++)r[i][n]>r[i][t]+r[t][n]&&(r[i][n]=r[i][t]+r[t][n]);return r}getAdjacencyList(){let t=this.vertices.length,e=Array(t);for(let i=0;i<t;i++){e[i]=[];for(let r=0;r<t;r++)i!==r&&this.hasEdge(this.vertices[i].id,this.vertices[r].id)&&e[i].push(r)}return e}getSubgraphAdjacencyList(t){let e=t.length,i=Array(e);for(let r=0;r<e;r++){i[r]=[];for(let n=0;n<e;n++)r!==n&&this.hasEdge(t[r],t[n])&&i[r].push(n)}return i}getBridgedRingPerimeter(t,e,i){let r=new Set(e.insiders||[]),n=t.filter(t=>!r.has(t));if(n.length<3)return n;let s=new Set(n),l=new Map;for(let t=0;t<n.length;t++){let e=n[t],i=this.vertices[e].neighbours.filter(t=>s.has(t));if(l.set(e,i),2!==i.length)return n}let o=s.has(i)?i:n[0],a=[o],h=null,g=o;for(;a.length<n.length;){let t=l.get(g).filter(t=>t!==h);if(null===h&&t.sort((t,e)=>this.vertices[t].value.smilesOrder-this.vertices[e].value.smilesOrder),0===t.length)return n;let e=t[0];if(e===o)return n;a.push(e),h=g,g=e}return l.get(g).includes(o)?a:n}getBridges(){let t=this.vertices.length,e=Array(t),i=Array(t),r=Array(t),n=Array(t),s=this.getAdjacencyList(),l=[];e.fill(!1),n.fill(null),this._time=0;for(let o=0;o<t;o++)e[o]||this._bridgeDfs(o,e,i,r,n,s,l);return l}traverseBF(t,e){let i=Array(this.vertices.length);i.fill(!1);let r=[t];for(;r.length>0;){let t=r.shift(),n=this.vertices[t];e(n);for(let t=0;t<n.neighbours.length;t++){let e=n.neighbours[t];

1i[e]||(i[e]=!0,r.push(e))}}}getTreeDepth(t,e){if(null===t||null===e)return 0;let i=this.vertices[t].getSpanningTreeNeighbours(e),r=0;for(let e=0;e<i.length;e++){let n=i[e],s=this.getTreeDepth(n,t);s>r&&(r=s)}return r+1}traverseTree(t,e,i){let r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:999999,n=arguments.length>4&&void 0!==arguments[4]&&arguments[4],s=arguments.length>5&&void 0!==arguments[5]?arguments[5]:1,l=arguments.length>6&&void 0!==arguments[6]?arguments[6]:null;if(null===l&&(l=new Uint8Array(this.vertices.length)),s>r+1||1===l[t])return;l[t]=1;let o=this.vertices[t],a=o.getNeighbours(e);(!n||s>1)&&i(o);for(let e=0;e<a.length;e++)this.traverseTree(a[e],t,i,r,n,s+1,l)}kkLayout(t,e,i,r,n){let o=arguments.length>5&&void 0!==arguments[5]?arguments[5]:.1,a=arguments.length>6&&void 0!==arguments[6]?arguments[6]:.1,h=arguments.length>7&&void 0!==arguments[7]?arguments[7]:2e3,g=arguments.length>8&&void 0!==arguments[8]?arguments[8]:50,d=arguments.length>9&&void 0!==arguments[9]?arguments[9]:1e9,u=this.getSubgraphDistanceMatrix(t),c=t.length,f=s.polyCircumradius(n,c),p=s.centralAngle(c),m=0,b=new Float32Array(c),v=new Float32Array(c),w=Array(c),y=new Set(r.insiders||[]),S=this.getBridgedRingPerimeter(t,r,i),x=new Set(S),A=S.length,C=A>2?s.polyCircumradius(n,A):f,N=A>0?2*Math.PI/A:p,R=0,E=new Map;if(x.has(i)){let t=S.indexOf(i),r=this.vertices[i];r.positioned&&(R=l.subtract(r.position,e).angle()-t*N)}for(let t=0;t<S.length;t++){let i=S[t],r=this.vertices[i];if(r.positioned)E.set(i,r.position.clone());else{let r=new l(e.x+Math.cos(R+t*N)*C,e.y+Math.sin(R+t*N)*C);E.set(i,r)}}let I=t.filter(t=>y.has(t)),M=Math.max(.35*n,.35*C);for(let t=0;t<I.length;t++){let i=I[t],r=this.vertices[i];if(r.positioned){E.set(i,r.position.clone());continue}let n=r.neighbours.filter(t=>x.has(t)),s=new l(e.x,e.y);if(n.length>0){s=new l(0,0);for(let t=0;t<n.length;t++)s.add(E.get(n[t]));s.divide(n.length);let i=l.subtract(s,e);1e-4>i.lengthSq()?i=new l(Math.cos(t*N),Math.sin(t*N)):i.normalize(),s=i.multiplyScalar(M).add(e.clone())}else s.x+=Math.cos(t*N)*M,s.y+=Math.sin(t*N)*M;E.set(i,s)}for(var k=c;k--;){let i=this.vertices[t[k]];if(i.positioned)b[k]=i.position.x,v[k]=i.position.y;else{let t=E.get(i.id);t?(b[k]=t.x,v[k]=t.y):(b[k]=e.x+Math.cos(m)*f,v[k]=e.y+Math.sin(m)*f)}w[k]=i.positioned,m+=p}let T=Array(c);for(k=c;k--;){T[k]=Array(c);let t=c;for(;t--;)T[k][t]=n*u[k][t]}let B=Array(c);for(k=c;k--;){B[k]=Array(c);let t=c;for(;t--;)B[k][t]=n*Math.pow(u[k][t],-2)}let L=Array(c),O=new Float32Array(c),D=new Float32Array(c);for(k=c;k--;)L[k]=Array(c);for(k=c;k--;){let t=b[k],e=v[k],i=0,r=0,n=c;for(;n--;){if(k===n)continue;let s=b[n],l=v[n],o=1/Math.sqrt((t-s)*(t-s)+(e-l)*(e-l));L[k][n]=[B[k][n]*(t-s-T[k][n]*(t-s)*o),B[k][n]*(e-l-T[k][n]*(e-l)*o)],L[n][k]=L[k][n],i+=L[k][n][0],r+=L[k][n][1]}O[k]=i,D[k]=r}let P=function(t){return[O[t]*O[t]+D[t]*D[t],O[t],D[t]]},z=0,F=0,H=0,_=0,W=0,V=0;for(;d>o&&h>W;)for(W++,[z,d,F,H]=function(){let t=0,e=0,i=0,r=0;for(k=c;k--;){let[n,s,l]=P(k);n>t&&!1===w[k]&&(t=n,e=k,i=s,r=l)}return[e,t,i,r]}(),_=d,V=0;_>a&&g>V;)V++,function(t,e,i){let r,s,l=0,o=0,a=0,h=b[t],g=v[t],d=T[t],u=B[t];for(k=c;k--;){if(k===t)continue;let e=b[k],i=v[k],r=d[k],n=u[k],s=(h-e)*(h-e),c=1/Math.pow(s+(g-i)*(g-i),1.5);l+=n*(1-r*(g-i)*(g-i)*c),o+=n*(1-r*s*c),a+=r*(h-e)*(g-i)*c*n}0===l&&(l=.1),0===o&&(o=.1),0===a&&(a=.1);let f=a/l-o/a;1e-6>Math.abs(f)?(s=-(.1*e),r=-(.1*i)):(r=(e/l+i/a)/f,s=-(a*r+e)/l);let p=Math.sqrt(s*s+r*r);if(p>n){let t=n/p;s*=t,r*=t}b[t]+=s,v[t]+=r;let m=L[t];for(e=0,i=0,h=b[t],g=v[t],k=c;k--;){if(t===k)continue;let n=b[k],l=v[k],o=m[k][0],a=m[k][1],c=1/Math.sqrt((h-n)*(h-n)+(g-l)*(g-l));s=u[k]*(h-n-d[k]*(h-n)*c),r=u[k]*(g-l-d[k]*(g-l)*c),m[k]=[s,r],e+=s,i+=r,O[k]+=s-o,D[k]+=r-a}O[t]=e,D[t]=i}(z,F,H),[_,F,H]=P(z);for(k=c;k--;){let e=t[k],i=this.vertices[e];i.position.x=b[k],i.position.y=v[k],i.positioned=!0,i.forcePositioned=!0}}_bridgeDfs(t,e,i,r,n,s,l){e[t]=!0,i[t]=r[t]=++this._time;for(let o=0;o<s[t].length;o++){let a=s[t][o];e[a]?a!==n[t]&&(r[t]=Math.min(r[t],i[a])):(n[a]=t,this._bridgeDfs(a,e,i,r,n,s,l),r[t]=Math.min(r[t],r[a]),r[a]>i[t]&&l.push([t,a]))}}static getConnectedComponents(t){let e=t.length,i=Array(e),r=[];i.fill(!1);for(let n=0;n<e;n++)if(!i[n]){let e=[];i[n]=!0,e.push(n),p._ccGetDfs(n,i,t,e),e.length>1&&r.push(e)}return r}static getConnectedComponentCount(t){let e=t.length,i=Array(e),r=0;i.fill(!1);for(let n=0;n<e;n++)i[n]||(i[n]=!0,r++,p._ccCountDfs(n,i,t));return r}static _ccCountDfs(t,e,i){for(let r=0;r<i[t].length;r++)i[t][r]&&!e[r]&&t!==r&&(e[r]=!0,p._ccCountDfs(r,e,i))}static _ccGetDfs(t,e,i,r){for(let n=0;n<i[t].length;n++)i[t][n]&&!e[n]&&t!==n&&(e[n]=!0,r.push(n),p._ccGetDfs(n,e,i,r))}constructor(t,e=!1){this.vertices=[],this.edges=[],this.atomIdxToVertexId=[],this.vertexIdsToEdgeId={},this.isomeric=e,this._atomIdx=0,this._time=0,this._init(t)}}class m{clone(){return new m(this.from.clone(),this.to.clone(),this.elementFrom,this.elementTo)}getLength(){let t=this.to.x-this.from.x,e=this.to.y-this.from.y;return Math.sqrt(t*t+e*e)}getAngle(){return l.subtract(this.getRightVector(),this.getLeftVector()).angle()}getRightVector(){return this.from.x<this.to.x?this.to:this.from}getLeftVector(){return this.from.x<this.to.x?this.from:this.to}getRightElement(){return this.from.x<this.to.x?this.elementTo:this.elementFrom}getLeftElement(){return this.from.x<this.to.x?this.elementFrom:this.elementTo}getRightChiral(){return this.from.x<this.to.x?this.chiralTo:this.chiralFrom}getLeftChiral(){return this.from.x<this.to.x?this.chiralFrom:this.chiralTo}setRightVector(t,e){return this.from.x<this.to.x?(this.to.x=t,this.to.y=e):(this.from.x=t,this.from.y=e),this}setLeftVector(t,e){return this.from.x<this.to.x?(this.from.x=t,this.from.y=e):(this.to.x=t,this.to.y=e),this}rotateToXAxis(){let t=this.getLeftVector();return this.setRightVector(t.x+this.getLength(),t.y),this}rotate(t){let e=this.getLeftVector(),i=this.getRightVector(),r=Math.sin(t),n=Math.cos(t),s=n*(i.x-e.x)-r*(i.y-e.y)+e.x,l=r*(i.x-e.x)-n*(i.y-e.y)+e.

1y;return this.setRightVector(s,l),this}shortenFrom(t){let e=l.subtract(this.to,this.from);return e.normalize(),e.multiplyScalar(t),this.from.add(e),this}shortenTo(t){let e=l.subtract(this.from,this.to);return e.normalize(),e.multiplyScalar(t),this.to.add(e),this}shortenRight(t){return this.from.x<this.to.x?this.shortenTo(t):this.shortenFrom(t),this}shortenLeft(t){return this.from.x<this.to.x?this.shortenFrom(t):this.shortenTo(t),this}shorten(t){let e=l.subtract(this.from,this.to);return e.normalize(),e.multiplyScalar(t/2),this.to.add(e),this.from.subtract(e),this}constructor(t=new l(0,0),e=new l(0,0),i=null,r=null,n=!1,s=!1){this.from=t,this.to=e,this.elementFrom=i,this.elementTo=r,this.chiralFrom=n,this.chiralTo=s}}class b{static extend(){let t={},e=!1,i=0,r=arguments.length;for("[object Boolean]"===Object.prototype.toString.call(arguments[0])&&(e=arguments[0],i++);i<r;i++){let r=arguments[i];for(let i in r)Object.prototype.hasOwnProperty.call(r,i)&&(e&&"[object Object]"===Object.prototype.toString.call(r[i])?t[i]=b.extend(!0,t[i],r[i]):t[i]=r[i])}return t}}class v{static getRings(t){let e=arguments.length>1&&void 0!==arguments[1]&&arguments[1],i=t.getComponentsAdjacencyMatrix();if(0===i.length)return[];let r=p.getConnectedComponents(i),n=[];for(let i=0;i<r.length;i++){let s=r[i],l=t.getSubgraphAdjacencyMatrix([...s]),o=new Uint16Array(l.length),a=new Uint16Array(l.length);for(let t=0;t<l.length;t++){a[t]=0,o[t]=0;for(let e=0;e<l[t].length;e++)o[t]+=l[t][e]}let h=0;for(let t=0;t<l.length;t++)for(let e=t+1;e<l.length;e++)h+=l[t][e];let g=h-l.length+1;if(1===g){n.push([...s]);continue}e&&(g=999);let{d,pe:u,pe_prime:c}=v.getPathIncludedDistanceMatrices(l),f=v.getRingCandidates(d,u,c),p=v.getSSSR(f,d,l,u,c,o,a,g);if(p.length<g){let t=v.findMissingRings(l,p,g);for(let e=0;e<t.length;e++)p.push(t[e])}for(let t=0;t<p.length;t++){let e=Array(p[t].size),i=0;for(let r of p[t])e[i++]=s[r];n.push(e)}}return n}static matrixToString(t){let e="";for(let i=0;i<t.length;i++){for(let r=0;r<t[i].length;r++)e+=t[i][r]+" ";e+="\n"}return e}static getPathIncludedDistanceMatrices(t){let e=t.length,i=Array(e),r=Array(e),n=Array(e);var s=0,l=0,o=0,a=0,h=0,g=0;for(s=e;s--;)for(i[s]=Array(e),r[s]=Array(e),n[s]=Array(e),l=e;l--;)i[s][l]=s===l||1===t[s][l]?t[s][l]:1/0,1===i[s][l]?r[s][l]=[[[s,l]]]:r[s][l]=[],n[s][l]=[];for(o=e;o--;)for(s=e;s--;)for(l=e;l--;){let t=i[s][l],e=i[s][o]+i[o][l];if(t>e){if(t===e+1)for(n[s][l]=[r[s][l].length],a=r[s][l].length;a--;)for(n[s][l][a]=[r[s][l][a].length],h=r[s][l][a].length;h--;)for(n[s][l][a][h]=[r[s][l][a][h].length],g=r[s][l][a][h].length;g--;)n[s][l][a][h][g]=[r[s][l][a][h][0],r[s][l][a][h][1]];else n[s][l]=[];for(i[s][l]=e,r[s][l]=[[]],a=r[s][o][0].length;a--;)r[s][l][0].push(r[s][o][0][a]);for(a=r[o][l][0].length;a--;)r[s][l][0].push(r[o][l][0][a])}else if(t===e){if(r[s][o].length&&r[o][l].length)if(r[s][l].length){let t=[];for(a=r[s][o][0].length;a--;)t.push(r[s][o][0][a]);for(a=r[o][l][0].length;a--;)t.push(r[o][l][0][a]);r[s][l].push(t)}else{let t=[];for(a=r[s][o][0].length;a--;)t.push(r[s][o][0][a]);for(a=r[o][l][0].length;a--;)t.push(r[o][l][0][a]);r[s][l][0]=t}}else if(t===e-1)if(n[s][l].length){let t=[];for(a=r[s][o][0].length;a--;)t.push(r[s][o][0][a]);for(a=r[o][l][0].length;a--;)t.push(r[o][l][0][a]);n[s][l].push(t)}else{let t=[];for(a=r[s][o][0].length;a--;)t.push(r[s][o][0][a]);for(a=r[o][l][0].length;a--;)t.push(r[o][l][0][a]);n[s][l][0]=t}}return{d:i,pe:r,pe_prime:n}}static getRingCandidates(t,e,i){let r=t.length,n=[],s=0;for(let l=0;l<r;l++)for(let o=0;o<r;o++)if(0===t[l][o]||1===e[l][o].length&&0===i[l][o])continue;else(s=0!==i[l][o].length?2*(t[l][o]+.5):2*t[l][o])!=1/0&&n.push([s,e[l][o],i[l][o]]);return n.sort(function(t,e){return t[0]-e[0]}),n}static getSSSR(t,e,i,r,n,s,l,o){let a=[],h=[];for(let e=0;e<t.length;e++)if(t[e][0]%2!=0)for(let r=0;r<t[e][2].length;r++){let n=t[e][1][0].concat(t[e][2][r]);for(let t=0;t<n.length;t++)n[t][0].constructor===Array&&(n[t]=n[t][0]);let g=v.bondsToAtoms(n);if(v.getBondCount(g,i)!==g.size||v.pathSetsContain(a,g,n,h,s,l)||(a.push(g),h=h.concat(n)),a.length>=o)return a}else for(let r=0;r<t[e][1].length-1;r++){let n=t[e][1][r].concat(t[e][1][r+1]);for(let t=0;t<n.length;t++)n[t][0].constructor===Array&&(n[t]=n[t][0]);let g=v.bondsToAtoms(n);

1if(v.getBondCount(g,i)!==g.size||v.pathSetsContain(a,g,n,h,s,l)||(a.push(g),h=h.concat(n)),a.length>=o)return a}return a}static getEdgeCount(t){let e=0,i=t.length;for(var r=i-1;r--;)for(var n=i;n--;)1===t[r][n]&&e++;return e}static getEdgeList(t){let e=t.length,i=[];for(var r=e-1;r--;)for(var n=e;n--;)1===t[r][n]&&i.push([r,n]);return i}static bondsToAtoms(t){let e=new Set;for(var i=t.length;i--;)e.add(t[i][0]),e.add(t[i][1]);return e}static getBondCount(t,e){let i=0;for(let r of t)for(let n of t)r!==n&&(i+=e[r][n]);return i/2}static pathSetsContain(t,e,i,r,n,s){for(var l=t.length;l--;){if(v.isSupersetOf(e,t[l]))return!0;if(t[l].size===e.size&&v.areSetsEqual(t[l],e))return!0}let o=0,a=!1;for(l=i.length;l--;)for(var h=r.length;h--;)(i[l][0]===r[h][0]&&i[l][1]===r[h][1]||i[l][1]===r[h][0]&&i[l][0]===r[h][1])&&o++,o===i.length&&(a=!0);let g=!1;if(a){for(let t of e)if(s[t]<n[t]){g=!0;break}}if(a&&!g)return!0;for(let t of e)s[t]++;return!1}static areSetsEqual(t,e){if(t.size!==e.size)return!1;for(let i of t)if(!e.has(i))return!1;return!0}static isSupersetOf(t,e){for(let i of e)if(!t.has(i))return!1;return!0}static findMissingRings(t,e,i){let r=t.length,n=[],s=new Set;for(let i of e){let e=[...i];for(let i=0;i<e.length;i++)for(let r=i+1;r<e.length;r++)if(1===t[e[i]][e[r]]){let t=Math.min(e[i],e[r]),n=Math.max(e[i],e[r]);s.add(t+","+n)}}for(let l=0;l<r;l++)for(let o=l+1;o<r;o++){if(1!==t[l][o])continue;let a=l+","+o;if(s.has(a))continue;let h=v.bfsShortestCycle(t,l,o,r);if(null!==h){let r=new Set(h),l=!1;for(let t of e)if(v.areSetsEqual(r,t)){l=!0;break}for(let t of n)if(v.areSetsEqual(r,t)){l=!0;break}if(!l){n.push(r);let l=[...r];for(let e=0;e<l.length;e++)for(let i=e+1;i<l.length;i++)if(1===t[l[e]][l[i]]){let t=Math.min(l[e],l[i]),r=Math.max(l[e],l[i]);s.add(t+","+r)}if(e.length+n.length>=i)return n}}}return n}static bfsShortestCycle(t,e,i,r){let n=Array(r).fill(!1),s=Array(r).fill(-1),l=[e];for(n[e]=!0;l.length>0;){let o=l.shift();for(let a=0;a<r;a++)if(1===t[o][a]&&(o!==e||a!==i)&&(o!==i||a!==e)){if(a===i){let t=[i],e=o;for(;-1!==e;)t.push(e),e=s[e];return t}n[a]||(n[a]=!0,s[a]=o,l.push(a))}}return null}}class w{getColor(t){return t&&(t=t.toUpperCase())in this.theme?this.theme[t]:this.theme.C}setTheme(t){t in this.colors&&(this.theme=this.colors[t])}constructor(t,e){this.colors=t,this.theme=this.colors[e]}}class y{static getEffectiveShowCarbonsMode(t){let e=t.showCarbons;return((null==e||-1===["none","default","terminal","acyclic","all"].indexOf(e))&&(e="default"),"default"===e&&t.terminalCarbons)?"terminal":e}draw(t,e){let i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:"light",r=arguments.length>3&&void 0!==arguments[3]&&arguments[3];this.initDraw(t,i,r),this.infoOnly||(this.themeManager=new w(this.opts.themes,i),this.canvasWrapper=new d(e,this.themeManager,this.opts)),!r&&(this.processGraph(),this.canvasWrapper.scale(this.graph.vertices),this.drawEdges(this.opts.debug),this.drawVertices(this.opts.debug),this.canvasWrapper.reset(),this.opts.debug&&console.debug("DrawerBase::draw()",{graph:this.graph,rings:this.rings,ringConnections:this.ringConnections}))}edgeRingCount(t){let e=this.graph.edges[t],i=this.graph.vertices[e.sourceId],r=this.graph.vertices[e.targetId];return Math.min(i.value.rings.length,r.value.rings.length)}getBridgedRings(){return this.rings.filter(t=>t.isBridged)}getFusedRings(){return this.rings.filter(t=>t.isFused)}getSpiros(){return this.rings.filter(t=>t.isSpiro)}printRingInfo(){let t="";for(let e=0;e<this.rings.length;e++){let i=this.rings[e];t+=i.id+";"+i.members.length+";"+i.neighbours.length+";"+(i.isSpiro?"true;":"false;")+(i.isFused?"true;":"false;")+(i.isBridged?"true;":"false;")+i.rings.length+";\n"}return t}rotateDrawing(){let t=0,e=0,i=0;for(let r=0;r<this.graph.vertices.length;r++){let n=this.graph.vertices[r];if(n.value.isDrawn)for(let s=r+1;s<this.graph.vertices.length;s++){let l=this.graph.vertices[s];if(!l.value.isDrawn)continue;let o=n.position.distanceSq(l.position);o>i&&(i=o,t=r,e=s)}}let r=-l.subtract(this.graph.vertices[t].position,this.graph.vertices[e].position).angle();if(!isNaN(r)){let t=r%.523599;

1t<.2617995?r-=t:r+=.523599-t;for(let t=0;t<this.graph.vertices.length;t++)t!==e&&this.graph.vertices[t].position.rotateAround(r,this.graph.vertices[e].position);for(let t=0;t<this.rings.length;t++)this.rings[t].center.rotateAround(r,this.graph.vertices[e].position)}}getTotalOverlapScore(){return this.totalOverlapScore}getRingCount(){return this.rings.length}hasBridgedRing(){return this.bridgedRing}getHeavyAtomCount(){let t=0;for(let e=0;e<this.graph.vertices.length;e++)"H"!==this.graph.vertices[e].value.element&&t++;return t}getMolecularFormula(){let t=arguments.length>0&&void 0!==arguments[0]?arguments[0]:null,e="",i=new Map,r=null===t?this.graph:new p(t,this.opts.isomeric);for(let t=0;t<r.vertices.length;t++){let e=r.vertices[t].value,n=i.get(e.element)||0;i.set(e.element,n+1);let s=e.countImplicitHydrogens();if(s){let t=i.get("H")||0;i.set("H",t+s)}}if(i.has("C")){let t=i.get("C");e+="C"+(t>1?t:""),i.delete("C")}if(i.has("H")){let t=i.get("H");e+="H"+(t>1?t:""),i.delete("H")}return Object.keys(n.atomicNumbers).sort().map(t=>{if(i.has(t)){let r=i.get(t);e+=t+(r>1?r:"")}}),e}getRingbondType(t,e){if(1>t.value.getRingbondCount()||1>e.value.getRingbondCount())return null;for(let i=0;i<t.value.ringbonds.length;i++)for(let r=0;r<e.value.ringbonds.length;r++)if(t.value.ringbonds[i].id===e.value.ringbonds[r].id)if("-"===t.value.ringbonds[i].bondType)return e.value.ringbonds[r].bond;else return t.value.ringbonds[i].bond;return null}initDraw(t,e,i,r){this.data=t,this.infoOnly=i,this.ringIdCounter=0,this.ringConnectionIdCounter=0,this.graph=new p(t,this.opts.isomeric),this.rings=[],this.ringConnections=[],this.originalRings=[],this.originalRingConnections=[],this.bridgedRing=!1,this.doubleBondConfigCount=null,this.doubleBondConfig=null,this.highlight_atoms=r,this.initRings(),this.initHydrogens()}processGraph(){this.position(),this.fixDoubleBondStereo(),this.restoreRingInformation(),this.resolvePrimaryOverlaps();let t=this.getOverlapScore();this.totalOverlapScore=this.getOverlapScore().total;for(let e=0;e<this.opts.overlapResolutionIterations;e++)for(let e=0;e<this.graph.edges.length;e++){let i=this.graph.edges[e];if(this.isEdgeRotatable(i)){let e=this.graph.getTreeDepth(i.sourceId,i.targetId),r=this.graph.getTreeDepth(i.targetId,i.sourceId),n=i.targetId,l=i.sourceId;if(e>r&&(n=i.sourceId,l=i.targetId),this.getSubtreeOverlapScore(l,n,t.vertexScores).value>this.opts.overlapSensitivity){let e=this.graph.vertices[n],i=this.graph.vertices[l],r=i.getNeighbours(n);if(1===r.length){let t=this.graph.vertices[r[0]],n=t.position.getRotateAwayFromAngle(e.position,i.position,s.toRad(120));this.rotateSubtree(t.id,i.id,n,i.position);let l=this.getOverlapScore().total;l>this.totalOverlapScore?this.rotateSubtree(t.id,i.id,-n,i.position):this.totalOverlapScore=l}else if(2===r.length){if(0!==i.value.rings.length&&0!==e.value.rings.length)continue;let t=this.graph.vertices[r[0]],n=this.graph.vertices[r[1]];if(1===t.value.rings.length&&1===n.value.rings.length){if(t.value.rings[0]!==n.value.rings[0])continue;let r=t.value.rings[0];if(1!==this.getRingExternalConnectionCount(r))continue;let l=0,o=this.totalOverlapScore,a=this.getRing(r),h=s.centralAngle(a.getSize()),g=Math.max(1,Math.floor(a.getSize()/2));for(let t=1;t<=g;t++){let r=h*t;this.rotateSubtree(i.id,e.id,r,i.position);let n=this.getOverlapScore().total;n<o&&(o=n,l=r),this.rotateSubtree(i.id,e.id,-r,i.position),this.rotateSubtree(i.id,e.id,-r,i.position),(n=this.getOverlapScore().total)<o&&(o=n,l=-r),this.rotateSubtree(i.id,e.id,r,i.position)}0!==l&&(this.rotateSubtree(i.id,e.id,l,i.position),this.totalOverlapScore=o)}else{if(0!==t.value.rings.length||0!==n.value.rings.length)continue;let r=t.position.getRotateAwayFromAngle(e.position,i.position,s.toRad(120)),l=n.position.getRotateAwayFromAngle(e.position,i.position,s.toRad(120));this.rotateSubtree(t.id,i.id,r,i.position),this.rotateSubtree(n.id,i.id,l,i.position);let o=this.getOverlapScore().total;o>this.totalOverlapScore?(this.rotateSubtree(t.id,i.id,-r,i.position),this.rotateSubtree(n.id,i.id,-l,i.position)):this.totalOverlapScore=o}}t=this.getOverlapScore()}}}this.resolveSecondaryOverlaps(t.scores),this.resolveRigidRingOverlaps(),t=this.getOverlapScore(),this.resolveSecondaryOverlaps(t.scores),this.opts.isomeric&&this.annotateStereochemistry(),this.opts.compactDrawing&&"default"===this.opts.atomVisualization&&this.initPseudoElements(),this.rotateDrawing()}initRings(){let t=new Map;for(let e=this.graph.vertices.length-1;e>=0;e--){let i=this.graph.vertices[e];if(0!==i.value.ringbonds.length)for(let e=0;e<i.value.ringbonds.length;e++){let r=i.value.ringbonds[e].id,n=i.value.ringbonds[e].bond;if(t.has(r)){let s=i.id,l=t.get(r)[0],o=t.get(r)[1],a=new f(s,l,1);a.setBondType(o||n||"-");let h=this.graph.addEdge(a),g=this.graph.vertices[l];i.addRingbondChild(l,e),i.value.addNeighbouringElement(g.value.element);let d=0;for(let t=0;t<g.value.ringbonds.length;t++)if(g.value.ringbonds[t].id===r){d=t;break}g.addRingbondChild(s,d),g.value.addNeighbouringElement(i.value.element),i.edges.push(h),g.edges.push(h),t.delete(r)}else t.set(r,[i.id,n])}}let e=v.getRings(this.graph,this.opts.experimentalSSSR);if(null!==e&&0!==e.length){for(let t=0;t<e.length;t++){let i=[...e[t]],r=this.addRing(new h(i));for(let t=0;t<i.length;t++)this.graph.vertices[i[t]].value.rings.push(r)}for(let t=0;t<this.rings.length-1;t++)for(let e=t+1;e<this.rings.length;e++){let i=new a(this.rings[t],this.rings[e]);i.vertices.size>0&&this.addRingConnection(i)}for(let t=0;t<this.rings.length;t++){let e=this.rings[t];e.neighbours=a.getNeighbours(this.ringConnections,e.id)}for(let t=0;t<this.rings.length;t++){let e=this.rings[t];this.graph.vertices[e.members[0]].value.addAnchoredRing(e.id)}for(this.backupRingInformation();this.rings.length>0;){let t=-1;for(let e=0;e<this.rings.length;e++){let i=this.rings[e];this.isPartOfBridgedRing(i.id)&&!i.isBridged&&(t=i.id)}if(-1===t)break;let e=this.getRing(t),i=this.getBridgedRingRings(e.id);this.bridgedRing=!0,this.createBridgedRing(i,e.members[0]),this.bridgedRing=!1;for(let t=0;t<i.length;t++)this.removeRing(i[t])}}}initHydrogens(){if(!this.opts.explicitHydrogens)for(let t=0;t<this.graph.vertices.length;t++){let e=this.graph.vertices[t];if("H"!==e.value.element)continue;let i=this.graph.vertices[e.neighbours[0]];i.value.hasHydrogen=!0,(!i.value.isStereoCenter||i.value.rings.length<2&&!i.value.bridgedRing||i.value.bridgedRing&&i.value.originalRings.length<2)&&(e.value.isDrawn=!1)}}getBridgedRingRings(t){let e=[],i=t=>{let r=this.getRing(t);e.push(t);for(let n=0;n<r.neighbours.length;n++){let s=r.neighbours[n];-1===e.indexOf(s)&&s!==t&&a.isBridge(this.ringConnections,this.graph.vertices,t,s)&&i(s)}};i(t);let n=!0;for(;n;){n=!1;for(let t=0;t<this.ringConnections.length;t++){let i=this.ringConnections[t];if(i.vertices.size<2)continue;let r=-1!==e.indexOf(i.firstRingId),s=-1!==e.indexOf(i.secondRingId);r&&!s?(e.push(i.secondRingId),n=!0):s&&!r&&(e.push(i.firstRingId),n=!0)}}return r.unique(e)}isPartOfBridgedRing(t){for(let e=0;e<this.ringConnections.length;e++)if(this.ringConnections[e].containsRing(t)&&this.ringConnections[e].isBridge(this.graph.vertices))return!0;return!1}createBridgedRing(t,e){let i=new Set,n=new Set,s=new Set;for(let e=0;e<t.length;e++){let i=this.getRing(t[e]);i.isPartOfBridged=!0;for(let t=0;t<i.members.length;t++)n.add(i.members[t]);for(let e=0;e<i.neighbours.length;e++){let r=i.neighbours[e];-1===t.indexOf(r)&&s.add(i.neighbours[e])}}let l=new Set;for(let e of n){let n=this.graph.vertices[e],s=r.intersection(t,n.value.rings);1===n.value.rings.length||1===s.length?i.add(n.id):l.add(n.id)}let o=[];for(let t of l){let e=this.graph.vertices[t],r=!1;for(let t=0;t<e.edges.length;t++)1===this.edgeRingCount(e.edges[t])&&(r=!0);r?e.value.isBridgeNode=!0:(e.value.isBridge=!0,o.push(e.id)),i.add(e.id)}let a=new h([...i]);this.addRing(a),a.isBridged=!0,a.insiders=o,a.neighbours=[...s];for(let e=0;e<t.length;e++)a.rings.push(this.getRing(t[e]).clone());for(let t=0;t<a.members.length;t++)this.graph.vertices[a.members[t]].value.bridgedRing=a.id;for(let t=0;t<o.length;t++)this.graph.vertices[o[t]].value.rings=[];for(let e of i){let i=this.graph.vertices[e];i.value.rings=r.removeAll(i.value.rings,t),i.value.rings.push(a.id)}for(let e=0;e<t.length;e++)for(let i=e+1;i<t.length;i++)this.removeRingConnectionsBetween(t[e],t[i]);for(let e of s){let i=this.getRingConnections(e,t);for(let t=0;t<i.length;t++)this.getRingConnection(i[t]).updateOther(a.id,e);this.getRing(e).neighbours.push(a.id)}return a}

1areVerticesInSameRing(t,e){for(let i=0;i<t.value.rings.length;i++)for(let r=0;r<e.value.rings.length;r++)if(t.value.rings[i]===e.value.rings[r])return!0;return!1}getCommonRings(t,e){let i=[];for(let r=0;r<t.value.rings.length;r++)for(let n=0;n<e.value.rings.length;n++)t.value.rings[r]==e.value.rings[n]&&i.push(t.value.rings[r]);return i}getLargestOrAromaticCommonRing(t,e){let i=this.getCommonRings(t,e),r=0,n=null;for(let t=0;t<i.length;t++){let e=this.getRing(i[t]),s=e.getSize();if(e.isBenzeneLike(this.graph.vertices))return e;s>r&&(r=s,n=e)}return n}getVerticesAt(t,e,i){let r=[];for(let n=0;n<this.graph.vertices.length;n++){let s=this.graph.vertices[n];s.id!==i&&s.positioned&&t.distanceSq(s.position)<=e*e&&r.push(s.id)}return r}getClosestVertex(t){let e=99999,i=null;for(let r=0;r<this.graph.vertices.length;r++){let n=this.graph.vertices[r];if(n.id===t.id)continue;let s=t.position.distanceSq(n.position);s<e&&(e=s,i=n)}return i}addRing(t){return t.id=this.ringIdCounter++,this.rings.push(t),t.id}removeRing(t){this.rings=this.rings.filter(function(e){return e.id!==t}),this.ringConnections=this.ringConnections.filter(function(e){return e.firstRingId!==t&&e.secondRingId!==t});for(let e=0;e<this.rings.length;e++){let i=this.rings[e];i.neighbours=i.neighbours.filter(function(e){return e!==t})}}getRing(t){for(let e=0;e<this.rings.length;e++)if(this.rings[e].id==t)return this.rings[e]}addRingConnection(t){return t.id=this.ringConnectionIdCounter++,this.ringConnections.push(t),t.id}removeRingConnection(t){this.ringConnections=this.ringConnections.filter(function(e){return e.id!==t})}removeRingConnectionsBetween(t,e){let i=[];for(let r=0;r<this.ringConnections.length;r++){let n=this.ringConnections[r];(n.firstRingId===t&&n.secondRingId===e||n.firstRingId===e&&n.secondRingId===t)&&i.push(n.id)}for(let t=0;t<i.length;t++)this.removeRingConnection(i[t])}getRingConnection(t){for(let e=0;e<this.ringConnections.length;e++)if(this.ringConnections[e].id==t)return this.ringConnections[e]}getRingConnections(t,e){let i=[];for(let r=0;r<this.ringConnections.length;r++){let n=this.ringConnections[r];for(let r=0;r<e.length;r++){let s=e[r];(n.firstRingId===t&&n.secondRingId===s||n.firstRingId===s&&n.secondRingId===t)&&i.push(n.id)}}return i}getOverlapScore(){let t=0,e=new Float32Array(this.graph.vertices.length);for(let t=0;t<this.graph.vertices.length;t++)e[t]=0;for(let i=0;i<this.graph.vertices.length;i++){let r=this.graph.vertices.length;for(;--r>i;){let n=this.graph.vertices[i],s=this.graph.vertices[r];if(!n.value.isDrawn||!s.value.isDrawn)continue;let o=l.subtract(n.position,s.position).lengthSq();if(o<this.opts.bondLengthSq){let n=(this.opts.bondLength-Math.sqrt(o))/this.opts.bondLength;t+=n,e[i]+=n,e[r]+=n}}}let i=[];for(let t=0;t<this.graph.vertices.length;t++)i.push({id:t,score:e[t]});return i.sort(function(t,e){return e.score-t.score}),{total:t,scores:i,vertexScores:e}}chooseSide(t,e,i){let n=t.getNeighbours(e.id),s=e.getNeighbours(t.id),l=n.length,o=s.length,a=r.merge(n,s),h=[0,0];for(let r=0;r<a.length;r++)this.graph.vertices[a[r]].position.sameSideAs(t.position,e.position,i[0])?h[0]++:h[1]++;let g=[0,0];for(let r=0;r<this.graph.vertices.length;r++)this.graph.vertices[r].position.sameSideAs(t.position,e.position,i[0])?g[0]++:g[1]++;return{totalSideCount:g,totalPosition:g[0]>g[1]?0:1,sideCount:h,position:h[0]>h[1]?0:1,anCount:l,bnCount:o}}setRingCenter(t){let e=t.getSize(),i=new l(0,0);for(let r=0;r<e;r++)i.add(this.graph.vertices[t.members[r]].position);t.center=i.divide(e)}getSubringCenter(t,e){let i=e.value.originalRings,r=t.center,n=Number.MAX_VALUE;for(let e=0;e<i.length;e++)for(let s=0;s<t.rings.length;s++)i[e]===t.rings[s].id&&t.rings[s].getSize()<n&&(r=t.rings[s].center,n=t.rings[s].getSize());return r}drawEdges(t){let e=Array(this.graph.edges.length);if(e.fill(!1),this.graph.traverseBF(0,i=>{let r=this.graph.getEdges(i.id);for(let i=0;i<r.length;i++){let n=r[i];e[n]||(e[n]=!0,this.drawEdge(n,t))}}),!this.bridgedRing)for(let t=0;t<this.rings.length;t++){let e=this.rings[t];this.isRingAromatic(e)&&this.canvasWrapper.drawAromaticityRing(e)}}drawEdge(t,e){let i=this.graph.edges[t],n=this.graph.vertices[i.sourceId],s=this.graph.vertices[i.targetId],o=n.value.element,a=s.value.element;if((!n.value.isDrawn||!s.value.isDrawn)&&"default"===this.opts.atomVisualization)return;let h=n.position,g=s.position,d=this.getEdgeNormals(i),u=r.clone(d);if(u[0].multiplyScalar(10).add(h),u[1].multiplyScalar(10).add(h),"="===i.bondType||"="===this.getRingbondType(n,s)||i.isPartOfAromaticRing&&this.bridgedRing){let t=this.areVerticesInSameRing(n,s),e=this.chooseSide(n,s,u);if(t){let t=this.getLargestOrAromaticCommonRing(n,s).center;d[0].multiplyScalar(this.opts.bondSpacing),d[1].multiplyScalar(this.opts.bondSpacing);let e=null;(e=t.sameSideAs(n.position,s.position,l.add(h,d[0]))?new m(l.add(h,d[0]),l.add(g,d[0]),o,a):new m(l.add(h,d[1]),l.add(g,d[1]),o,a)).shorten(this.opts.bondLength-this.opts.shortBondLength*this.opts.bondLength),i.isPartOfAromaticRing?this.canvasWrapper.drawLine(e,!0):this.canvasWrapper.drawLine(e),this.canvasWrapper.drawLine(new m(h,g,o,a))}else if(i.center||n.isTerminal()&&s.isTerminal()){d[0].multiplyScalar(this.opts.halfBondSpacing),d[1].multiplyScalar(this.opts.halfBondSpacing);let t=new m(l.add(h,d[0]),l.add(g,d[0]),o,a),e=new m(l.add(h,d[1]),l.add(g,d[1]),o,a);this.canvasWrapper.drawLine(t),this.canvasWrapper.drawLine(e)}else if(0==e.anCount&&e.bnCount>1||0==e.bnCount&&e.anCount>1){d[0].multiplyScalar(this.opts.halfBondSpacing),d[1].multiplyScalar(this.opts.halfBondSpacing);let t=new m(l.add(h,d[0]),l.add(g,d[0]),o,a),e=new m(l.add(h,d[1]),l.add(g,d[1]),o,a);this.canvasWrapper.drawLine(t),this.canvasWrapper.drawLine(e)}else if(e.sideCount[0]>e.sideCount[1]){d[0].multiplyScalar(this.opts.bondSpacing),d[1].multiplyScalar(this.opts.bondSpacing);let t=new m(l.add(h,d[0]),l.add(g,d[0]),o,a);t.shorten(this.opts.bondLength-this.opts.shortBondLength*this.opts.bondLength),this.canvasWrapper.drawLine(t),this.canvasWrapper.drawLine(new m(h,g,o,a))}else if(e.sideCount[0]<e.sideCount[1]){d[0].multiplyScalar(this.opts.bondSpacing),d[1].multiplyScalar(this.opts.bondSpacing);let t=new m(l.add(h,d[1]),l.add(g,d[1]),o,a);t.shorten(this.opts.bondLength-this.opts.shortBondLength*this.opts.bondLength),this.canvasWrapper.drawLine(t),this.canvasWrapper.drawLine(new m(h,g,o,a))}else if(e.totalSideCount[0]>e.totalSideCount[1]){d[0].multiplyScalar(this.opts.bondSpacing),d[1].multiplyScalar(this.opts.bondSpacing);let t=new m(l.add(h,d[0]),l.add(g,d[0]),o,a);t.shorten(this.opts.bondLength-this.opts.shortBondLength*this.opts.bondLength),this.canvasWrapper.drawLine(t),this.canvasWrapper.drawLine(new m(h,g,o,a))}else if(e.totalSideCount[0]<=e.totalSideCount[1]){d[0].multiplyScalar(this.opts.bondSpacing),d[1].multiplyScalar(this.opts.bondSpacing);let t=new m(l.add(h,d[1]),l.add(g,d[1]),o,a);t.shorten(this.opts.bondLength-this.opts.shortBondLength*this.opts.bondLength),this.canvasWrapper.drawLine(t),this.canvasWrapper.drawLine(new m(h,g,o,a))}}else if("#"===i.bondType){d[0].multiplyScalar(this.opts.bondSpacing/1.5),d[1].multiplyScalar(this.opts.bondSpacing/1.5);let t=new m(l.add(h,d[0]),l.add(g,d[0]),o,a),e=new m(l.add(h,d[1]),l.add(g,d[1]),o,a);this.canvasWrapper.drawLine(t),this.canvasWrapper.drawLine(e),this.canvasWrapper.drawLine(new m(h,g,o,a))}else if("."===i.bondType);else{let t=n.value.isStereoCenter,e=s.value.isStereoCenter;"up"===i.wedge?this.canvasWrapper.drawWedge(new m(h,g,o,a,t,e)):"down"===i.wedge?this.canvasWrapper.drawDashedWedge(new m(h,g,o,a,t,e)):this.canvasWrapper.drawLine(new m(h,g,o,a,t,e))}if(e){let e=l.midpoint(h,g);this.canvasWrapper.drawDebugText(e.x,e.y,"e: "+t)}}drawVertices(t){for(let e=0;e<this.graph.vertices.length;e++){let i=this.graph.vertices[e],n=i.value,s=0,o=0,a=n.element,h=n.countImplicitHydrogens(),g=i.getTextDirection(this.graph.vertices),d=y.getEffectiveShowCarbonsMode(this.opts),u=("terminal"===d||"C"!==a||!!n.hasAttachedPseudoElements)&&i.isTerminal(),c="C"===n.element;if("C"===a){let t=n.rings&&n.rings.length>0;"none"===d?(c=!0,u=!1):"all"===d?(c=!1,u=!0):"acyclic"!==d||t||(c=!1,u=!0)}if("N"===n.element&&n.isPartOfAromaticRing&&(h=0),n.bracket&&(h=n.bracket.hcount,s=n.bracket.charge,o=n.bracket.isotope),(s||o||this.graph.vertices.length<3)&&(c=!1),"allballs"===this.opts.atomVisualization)this.canvasWrapper.drawBall(i.position.x,i.position.y,a);else if(n.isDrawn&&(!c||n.drawExplicit||u||n.hasAttachedPseudoElements)||1===this.graph.vertices.length)"default"===this.opts.atomVisualization?this.canvasWrapper.drawText(i.position.x,i.position.y,a,h,g,u,s,o,this.graph.vertices.length,n.getAttachedPseudoElements()):"balls"===this.opts.atomVisualization&&this.canvasWrapper.drawBall(i.position.x,i.position.y,a);else if(2===i.getNeighbourCount()&&!0==i.forcePositioned){let t=this.graph.vertices[i.neighbours[0]].position,e=this.graph.vertices[i.neighbours[1]].position;.1>Math.abs(Math.PI-l.threePointangle(i.position,t,e))&&this.canvasWrapper.drawPoint(i.position.x,i.position.y,a)}if(t){let t="v: "+i.id+" "+r.print(n.ringbonds);this.canvasWrapper.drawDebugText(i.position.x,i.position.y,t)}}if(this.opts.debug)for(let t=0;t<this.rings.length;t++){let e=this.rings[t].center;this.canvasWrapper.drawDebugPoint(e.x,e.y,"r: "+this.rings[t].id)}}position(){let t=null;for(let e=0;e<this.graph.vertices.length;e++)if(null!==this.graph.vertices[e].value.bridgedRing){t=this.graph.vertices[e];break}for(let e=0;e<this.rings.length;e++)this.rings[e].isBridged&&(t=this.graph.vertices[this.rings[e].members[0]]);this.rings.length>0&&null===t&&(t=this.graph.vertices[this.rings[0].members[0]]),null===t&&(t=this.graph.vertices[0]),this.createNextBond(t,null,0)}backupRingInformation(){this.originalRings=[],this.originalRingConnections=[];for(let t=0;t<this.rings.length;t++)this.originalRings.push(this.rings[t]);for(let t=0;t<this.ringConnections.length;t++)this.originalRingConnections.push(this.ringConnections[t]);for(let t=0;t<this.graph.vertices.length;t++)this.graph.vertices[t].value.backupRings()}restoreRingInformation(){let t=this.getBridgedRings();this.rings=[],this.ringConnections=[];for(let e=0;e<t.length;e++){let i=t[e];for(let t=0;t<i.rings.length;t++){let e=i.rings[t];this.originalRings[e.id].center=e.center}}for(let t=0;t<this.originalRings.length;t++)this.rings.push(this.originalRings[t]);for(let t=0;t<this.originalRingConnections.length;t++)this.ringConnections.push(this.originalRingConnections[t]);for(let t=0;t<this.graph.vertices.length;t++)this.graph.vertices[t].value.restoreRings()}createRing(t){let e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:null,i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:null,r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:null;if(t.positioned)return;e=e||new l(0,0);let n=t.getOrderedNeighbours(this.ringConnections),o=i?l.subtract(i.position,e).angle():0,h=s.polyCircumradius(this.opts.bondLength,t.getSize()),g=s.centralAngle(t.getSize());t.centralAngle=g;let d=o,u=i?i.id:null;if(-1===t.members.indexOf(u)&&(i&&(i.positioned=!1),u=t.members[0]),t.isBridged){this.graph.kkLayout(t.members.slice(),e,i.id,t,this.opts.bondLength,this.opts.kkThreshold,this.opts.kkInnerThreshold,this.opts.kkMaxIteration,this.opts.kkMaxInnerIteration,this.opts.kkMaxEnergy),t.positioned=!0,this.setRingCenter(t),e=t.center;for(let e=0;e<t.rings.length;e++)this.setRingCenter(t.rings[e])}else t.eachMember(this.graph.vertices,i=>{let r=this.graph.vertices[i];r.positioned||r.setPosition(e.x+Math.cos(d)*h,e.y+Math.sin(d)*h),d+=g,(!t.isBridged||t.rings.length<3)&&(r.angle=d,r.positioned=!0)},u,r?r.id:null);t.positioned=!0,t.center=e;for(let i=0;i<n.length;i++){let r=this.getRing(n[i].neighbour);if(r.positioned)continue;let o=a.getVertices(this.ringConnections,t.id,r.id);if(2===o.length){t.isFused=!0,r.isFused=!0;let i=this.graph.vertices[o[0]],n=this.graph.vertices[o[1]],a=l.midpoint(i.position,n.position),h=l.normals(i.position,n.position);h[0].normalize(),h[1].normalize();let g=s.polyCircumradius(this.opts.bondLength,r.getSize()),d=s.apothem(g,r.getSize());h[0].multiplyScalar(d).add(a),h[1].multiplyScalar(d).add(a);let u=h[0];l.subtract(e,h[1]).lengthSq()>l.subtract(e,h[0]).lengthSq()&&(u=h[1]);let c=l.subtract(i.position,u),f=l.subtract(n.position,u);-1===c.clockwise(f)?r.positioned||this.createRing(r,u,i,n):r.positioned||this.createRing(r,u,n,i)}else if(1===o.length){t.isSpiro=!0,r.isSpiro=!0;let i=this.graph.vertices[o[0]],n=l.subtract(e,i.position);n.invert(),n.normalize();let a=s.polyCircumradius(this.opts.bondLength,r.getSize());n.multiplyScalar(a),n.add(i.position),r.positioned||this.createRing(r,n,i)}}for(let e=0;e<t.members.length;e++){let i=this.graph.vertices[t.members[e]],r=i.neighbours;for(let t=0;t<r.length;t++){let e=this.graph.vertices[r[t]];e.positioned||(e.value.isConnectedToRing=!0,this.createNextBond(e,i,0))}}}fixDoubleBondStereo(){let t=this.graph;for(let e=0;e<t.edges.length;e++){let i,r,n=t.edges[e];if("="!==n.bondType)continue;let s=n.sourceId,l=n.targetId;if(t.vertices[s].value.rings.length>0&&t.vertices[l].value.rings.length>0)continue;let o=null,a=null;for(let e of t.vertices[s].getNeighbours()){if(e===l)continue;let i=t.getEdge(s,e);if(i&&("/"===i.bondType||"\\"===i.bondType)){o={nid:e,above:i.sourceId===s?"/"===i.bondType:"\\"===i.bondType};break}}for(let e of t.vertices[l].getNeighbours()){if(e===s)continue;let i=t.getEdge(l,e);if(i&&("/"===i.bondType||"\\"===i.bondType)){a={nid:e,above:i.sourceId===l?"/"===i.bondType:"\\"===i.bondType};break}}if(!o||!a)continue;let h=o.above===a.above,g=t.vertices[s].position,d=t.vertices[l].position,u=t.vertices[o.nid].position,c=t.vertices[a.nid].position,f=d.x-g.x,p=d.y-g.y;if(h===(f*(u.y-g.y)-p*(u.x-g.x)>0==f*(c.y-d.y)-p*(c.x-d.x)>0))continue;let m=0,b=0;for(let e of t.vertices[s].getNeighbours()){if(e===l)continue;let i=t.getEdge(s,e);i&&("/"===i.bondType||"\\"===i.bondType)&&m++}for(let e of t.vertices[l].getNeighbours()){if(e===s)continue;let i=t.getEdge(l,e);i&&("/"===i.bondType||"\\"===i.bondType)&&b++}if(m<=b?(i=o.nid,r=s):(i=a.nid,r=l),t.vertices[i].value.rings.length>0&&(i=r===s?a.nid:o.nid,r=r===s?l:s,t.vertices[i].value.rings.length>0))continue;let v=t.vertices[r].position,w=f*f+p*p;if(w<.001)continue;let y=this;t.traverseTree(i,r,function(t){let e=t.position.x-v.x,i=t.position.y-v.y,r=e*f+i*p;t.position.x=v.x+2*r*f/w-e,t.position.y=v.y+2*r*p/w-i;for(let e=0;e<t.value.anchoredRings.length;e++){let i=y.rings[t.value.anchoredRings[e]];if(i){let t=i.center.x-v.x,e=i.center.y-v.y,r=t*f+e*p;i.center.x=v.x+2*r*f/w-t,i.center.y=v.y+2*r*p/w-e}}})}}rotateSubtree(t,e,i,r){let n=r.clone();this.graph.traverseTree(t,e,t=>

1{t.position.rotateAround(i,n);for(let e=0;e<t.value.anchoredRings.length;e++){let r=this.rings[t.value.anchoredRings[e]];r&&r.center.rotateAround(i,n)}})}getSubtreeOverlapScore(t,e,i){let r=0,n=new l(0,0),s=0;return this.graph.traverseTree(t,e,t=>{if(!t.value.isDrawn)return;let e=i[t.id];e>this.opts.overlapSensitivity&&(r+=e,s++);let l=this.graph.vertices[t.id].position.clone();l.multiplyScalar(e),n.add(l)}),n.divide(r),{value:r/s,center:n}}getCurrentCenterOfMass(){let t=new l(0,0),e=0;for(let i=0;i<this.graph.vertices.length;i++){let r=this.graph.vertices[i];r.positioned&&(t.add(r.position),e++)}return t.divide(e)}getCurrentCenterOfMassInNeigbourhood(t){let e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:2*this.opts.bondLength,i=new l(0,0),r=0,n=e*e;for(let e=0;e<this.graph.vertices.length;e++){let s=this.graph.vertices[e];s.positioned&&t.distanceSq(s.position)<n&&(i.add(s.position),r++)}return i.divide(r)}resolvePrimaryOverlaps(){let t=[],e=Array(this.graph.vertices.length);for(let i=0;i<this.rings.length;i++){let r=this.rings[i];for(let i=0;i<r.members.length;i++){let n=this.graph.vertices[r.members[i]];if(e[n.id])continue;e[n.id]=!0;let s=this.getNonRingNeighbours(n.id);if(s.length>1){let e=[];for(let t=0;t<n.value.rings.length;t++)e.push(n.value.rings[t]);t.push({common:n,rings:e,vertices:s})}else if(1===s.length&&2===n.value.rings.length){let e=[];for(let t=0;t<n.value.rings.length;t++)e.push(n.value.rings[t]);t.push({common:n,rings:e,vertices:s})}}}for(let e=0;e<t.length;e++){let i=t[e];if(2===i.vertices.length){let t=i.vertices[0],e=i.vertices[1];if(!t.value.isDrawn||!e.value.isDrawn)continue;let r=(2*Math.PI-this.getRing(i.rings[0]).getAngle())/6;this.rotateSubtree(t.id,i.common.id,r,i.common.position),this.rotateSubtree(e.id,i.common.id,-r,i.common.position);let n=this.getOverlapScore(),s=this.getSubtreeOverlapScore(t.id,i.common.id,n.vertexScores),l=this.getSubtreeOverlapScore(e.id,i.common.id,n.vertexScores),o=s.value+l.value;this.rotateSubtree(t.id,i.common.id,-2*r,i.common.position),this.rotateSubtree(e.id,i.common.id,2*r,i.common.position),n=this.getOverlapScore(),s=this.getSubtreeOverlapScore(t.id,i.common.id,n.vertexScores),l=this.getSubtreeOverlapScore(e.id,i.common.id,n.vertexScores),s.value+l.value>o&&(this.rotateSubtree(t.id,i.common.id,2*r,i.common.position),this.rotateSubtree(e.id,i.common.id,-2*r,i.common.position))}else 1===i.vertices.length&&i.rings.length}}resolveSecondaryOverlaps(t){for(let e=0;e<t.length;e++)if(t[e].score>this.opts.overlapSensitivity){let i=this.graph.vertices[t[e].id];if(i.isTerminal()){let t=this.getClosestVertex(i);if(t){let e=null;e=t.isTerminal()?0===t.id?this.graph.vertices[1].position:t.previousPosition:0===t.id?this.graph.vertices[1].position:t.position;let r=0===i.id?this.graph.vertices[1].position:i.previousPosition;i.position.rotateAwayFrom(e,r,s.toRad(20))}}}}getLastAngle(t){for(;t;){let e=this.graph.vertices[t];if(e.value.rings.length>0)break;if(e.angle)return e.angle;t=e.parentVertexId}return 0}createNextBond(t){let e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:null,i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:0,n=arguments.length>3&&void 0!==arguments[3]&&arguments[3],o=arguments.length>4&&void 0!==arguments[4]&&arguments[4];if(t.positioned&&!o)return;let a=!1;if(e){let i=this.graph.getEdge(t.id,e.id);("/"===i.bondType||"\\"===i.bondType)&&++this.doubleBondConfigCount%2==1&&null===this.doubleBondConfig&&(this.doubleBondConfig=i.bondType,a=!0,null===e.parentVertexId&&t.value.branchBond&&("/"===this.doubleBondConfig?this.doubleBondConfig="\\":"\\"===this.doubleBondConfig&&(this.doubleBondConfig="/")))}if(!o)if(e)if(e.value.rings.length>0){let i=e.neighbours,n=null,s=new l(0,0);if(null===e.value.bridgedRing&&e.value.rings.length>1)for(let t=0;t<i.length;t++){let s=this.graph.vertices[i[t]];if(r.containsAll(s.value.rings,e.value.rings)){n=s;break}}if(null===n){for(let t=0;t<i.length;t++){let r=this.graph.vertices[i[t]];r.positioned&&this.areVerticesInSameRing(r,e)&&s.add(l.subtract(r.position,e.position))}if(1>s.lengthSq()){let t=null;s=(t=null!==e.value.bridgedRing?this.getRing(e.value.bridgedRing):this.getRing(e.value.rings[0]))&&t.center?l.subtract(t.center,e.position):new l(1,0)}s.invert().normalize().multiplyScalar(this.opts.bondLength).add(e.position)}

1else s=n.position.clone().rotateAround(Math.PI,e.position);t.previousPosition=e.position,t.setPositionFromVector(s),t.positioned=!0}else{let r=new l(this.opts.bondLength,0);r.rotate(i),r.add(e.position),t.setPositionFromVector(r),t.previousPosition=e.position,t.positioned=!0}else{let e=new l(this.opts.bondLength,0);e.rotate(s.toRad(-60)),t.previousPosition=e,t.setPosition(this.opts.bondLength,0),t.angle=s.toRad(-60),null===t.value.bridgedRing&&(t.positioned=!0)}if(null!==t.value.bridgedRing){let e=this.getRing(t.value.bridgedRing);if(!e.positioned){let i=l.subtract(t.previousPosition,t.position);i.invert(),i.normalize();let r=s.polyCircumradius(this.opts.bondLength,e.members.length);i.multiplyScalar(r),i.add(t.position),this.createRing(e,i,t)}}else if(t.value.rings.length>0){let e=this.getRing(t.value.rings[0]);if(!e.positioned){let i=l.subtract(t.previousPosition,t.position);i.invert(),i.normalize();let r=s.polyCircumradius(this.opts.bondLength,e.getSize());i.multiplyScalar(r),i.add(t.position),this.createRing(e,i,t)}}else{let i=t.getNeighbours(),o=[];for(let t=0;t<i.length;t++)this.graph.vertices[i[t]].value.isDrawn&&o.push(i[t]);e&&(o=r.remove(o,e.id));let h=t.getAngle();if(1===o.length){let i=this.graph.vertices[o[0]],r=e?this.graph.getEdge(t.id,e.id):null,g=this.graph.getEdge(t.id,i.id);if(r&&g&&r.weight+g.weight>=4)r.center=!0,g.center=!0,t.value.drawExplicit=!1,i.drawExplicit=!0,i.angle=0,this.createNextBond(i,t,h+i.angle);else if(e&&e.value.rings.length>0){let e=s.toRad(60),r=-e,n=new l(this.opts.bondLength,0),o=new l(this.opts.bondLength,0);n.rotate(e).add(t.position),o.rotate(r).add(t.position);let a=this.getCurrentCenterOfMass();i.angle=n.distanceSq(a)<o.distanceSq(a)?r:e,this.createNextBond(i,t,h+i.angle)}else{let r=this.getLastAngle(t.id);if(r=r>=0?1.0472:-1.0472,e&&!a){let e=this.graph.getEdge(t.id,i.id).bondType;"/"===e?("/"===this.doubleBondConfig||"\\"===this.doubleBondConfig&&(r=-r),this.doubleBondConfig=null):"\\"===e&&("/"===this.doubleBondConfig?r=-r:this.doubleBondConfig,this.doubleBondConfig=null)}n?i.angle=r:i.angle=-r,this.createNextBond(i,t,h+i.angle)}}else if(2===o.length){let i=t.angle;i||(i=1.0472);let r=this.graph.getTreeDepth(o[0],t.id),n=this.graph.getTreeDepth(o[1],t.id),s=this.graph.vertices[o[0]],l=this.graph.vertices[o[1]];s.value.subtreeDepth=r,l.value.subtreeDepth=n;let a=this.graph.getTreeDepth(e?e.id:null,t.id);e&&(e.value.subtreeDepth=a);let g=0,d=1;"C"===l.value.element&&"C"!==s.value.element&&n>1&&r<5?(g=1,d=0):"C"!==l.value.element&&"C"===s.value.element&&r>1&&n<5?(g=0,d=1):n>r&&(g=1,d=0);let u=this.graph.vertices[o[g]],c=this.graph.vertices[o[d]],f=a<r&&a<n;c.angle=i,u.angle=-i,"\\"===this.doubleBondConfig?"\\"===c.value.branchBond&&(c.angle=-i,u.angle=i):"/"===this.doubleBondConfig&&"/"===c.value.branchBond&&(c.angle=-i,u.angle=i),this.createNextBond(c,t,h+c.angle,f),this.createNextBond(u,t,h+u.angle,f)}else if(o.length>0){let i=o.map(e=>{let i=this.graph.vertices[e],r=this.graph.getTreeDepth(e,t.id);return i.value.subtreeDepth=r,i});if(i.sort((t,e)=>e.value.subtreeDepth-t.value.subtreeDepth),3===o.length&&e&&null!==e.parentVertexId&&e.value.rings.length<1&&i[2].value.rings.length<1&&i[1].value.rings.length<1&&i[0].value.rings.length<1&&1===i[2].value.subtreeDepth&&1===i[1].value.subtreeDepth&&i[0].value.subtreeDepth>1)t.angle>=0?(i[0].angle=-1.0472,i[1].angle=s.toRad(30),i[2].angle=s.toRad(90)):(i[0].angle=1.0472,i[1].angle=-s.toRad(30),i[2].angle=-s.toRad(90)),this.createNextBond(i[0],t,h+i[0].angle),this.createNextBond(i[1],t,h+i[1].angle),this.createNextBond(i[2],t,h+i[2].angle);else{let r=2*Math.PI/(o.length+ +!!e),n=r,s=0;for(o.length%2!=0?(this.createNextBond(i[0],t,h),s=1):n/=2;s<o.length;)this.createNextBond(i[s+0],t,h+n),this.createNextBond(i[s+1],t,h-n),n+=r,s+=2}}}}getCommonRingbondNeighbour(t){let e=t.neighbours;for(let i=0;i<e.length;i++){let n=this.graph.vertices[e[i]];if(r.containsAll(n.value.rings,t.value.rings))return n}return null}isPointInRing(t){for(let e=0;e<this.rings.length;e++){let i=this.rings[e];if(!i.positioned)continue;let r=s.polyCircumradius(this.opts.bondLength,i.getSize()),n=r*r;if(t.distanceSq(i.center)<n)return!0}return!1}isEdgeInRing(t){let e=this.graph.vertices[t.sourceId],i=this.graph.vertices[t.targetId];return this.areVerticesInSameRing(e,i)}isEdgeRotatable(t){let e=this.graph.vertices[t.sourceId],i=this.graph.vertices[t.targetId];return!("-"!==t.bondType||e.isTerminal()||i.isTerminal()||e.value.rings.length>0&&i.value.rings.length>0&&this.areVerticesInSameRing(e,i))}isRingAromatic(t){for(let e=0;e<t.members.length;e++)if(!this.graph.vertices[t.members[e]].value.isPartOfAromaticRing)return!1;return!0}getEdgeNormals(t){let e=this.graph.vertices[t.sourceId].position,i=this.graph.vertices[t.targetId].position;return l.units(e,i)}getNonRingNeighbours(t){let e=[],i=this.graph.vertices[t],n=i.neighbours;for(let t=0;t<n.length;t++){let s=this.graph.vertices[n[t]];0===r.intersection(i.value.rings,s.value.rings).length&&!1==s.value.isBridge&&e.push(s)}return e}getMinimumNonBondedDistance(){let t=1/0;for(let e=0;e<this.graph.vertices.length;e++){let i=this.graph.vertices[e];if(i.value.isDrawn)for(let r=e+1;r<this.graph.vertices.length;r++){if(this.graph.hasEdge(e,r))continue;let n=this.graph.vertices[r];if(!n.value.isDrawn)continue;let s=i.position.distance(n.position);s<t&&(t=s)}}return t}getRingExternalConnectionCount(t){let e=this.getRing(t);if(!e)return 0;let i=new Set(e.members),r=new Set;for(let t=0;t<e.members.length;t++){let n=e.members[t],s=this.graph.vertices[n];for(let t=0;t<s.neighbours.length;t++){let e=s.neighbours[t];

1i.has(e)||r.add("".concat(n,":").concat(e))}}return r.size}resolveRigidRingOverlaps(){let t=this.getOverlapScore().total,e=this.getMinimumNonBondedDistance(),i=.3*this.opts.bondLength;for(let r=0;r<this.graph.edges.length;r++){let n=this.graph.edges[r];if(!this.isEdgeRotatable(n))continue;let l=this.graph.getTreeDepth(n.sourceId,n.targetId),o=this.graph.getTreeDepth(n.targetId,n.sourceId),a=n.targetId,h=n.sourceId;l>o&&(a=n.sourceId,h=n.targetId);let g=this.graph.vertices[a],d=this.graph.vertices[h],u=d.getNeighbours(a);if(2!==u.length)continue;let c=this.graph.vertices[u[0]],f=this.graph.vertices[u[1]];if(1!==c.value.rings.length||1!==f.value.rings.length||c.value.rings[0]!==f.value.rings[0])continue;let p=this.getRing(c.value.rings[0]);if(!p)continue;let m=0,b=t,v=e,w=s.centralAngle(p.getSize()),y=Math.max(1,Math.floor(p.getSize()/2));for(let t=1;t<=y;t++){let e=w*t;for(let t=0;t<2;t++){let r=0===t?e:-e;this.rotateSubtree(d.id,g.id,r,d.position);let 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vendor: 5,323 bytes, line 1

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vendor: 6,379 bytes, line 1

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d=eA.writeText(n,this.themeManager,this.opts.fontSize*this.opts.scale,this.opts.fontFamily,this.opts.arrow.length*this.opts.scale),u=(this.opts.arrow.length*this.opts.scale-d.width)/2;a.push({svg:d.svg,height:d.height,width:d.width,offsetX:-(this.opts.arrow.length*this.opts.scale+this.opts.spacing)+u,offsetY:-(d.height/2)-this.opts.arrow.margin,position:"relative"});let c=eA.writeText(s,this.themeManager,this.opts.fontSize*this.opts.scale,this.opts.fontFamily,this.opts.arrow.length*this.opts.scale);u=(this.opts.arrow.length*this.opts.scale-c.width)/2,a.push({svg:c.svg,height:c.height,width:c.width,offsetX:-(this.opts.arrow.length*this.opts.scale+this.opts.spacing)+u,offsetY:c.height/2+this.opts.arrow.margin,position:"relative"});for(let e=0;e<t.products.length;e++){e>0&&a.push({width:this.opts.plus.size*this.opts.scale,height:this.opts.plus.size*this.opts.scale,svg:this.getPlus()});let n=null;r&&"products"in r&&r.products.length>e&&(n=r.products[e]);let s=document.createElementNS("http://www.w3.org/2000/svg","svg");this.drawer.draw(t.products[e],s,i,n,l,[],this.opts.weights.normalize);let o={width:s.viewBox.baseVal.width*this.opts.scale,height:s.viewBox.baseVal.height*this.opts.scale,svg:s};a.push(o),o.height>h&&(h=o.height)}let f=0;return a.forEach(t=>{let e=t.offsetX||0,i=t.offsetY||0;t.svg.setAttributeNS(null,"x",Math.round(f+e)),t.svg.setAttributeNS(null,"y",Math.round((h-t.height)/2+i)),t.svg.setAttributeNS(null,"width",Math.round(t.width)),t.svg.setAttributeNS(null,"height",Math.round(t.height)),o.appendChild(t.svg),"relative"!==t.position&&(f+=Math.round(t.width+this.opts.spacing+e))}),o.setAttributeNS(null,"viewBox","0 0 ".concat(f," ").concat(h)),o.style.width=f+"px",o.style.height=h+"px",o}getPlus(){let t=this.opts.plus.size,e=this.opts.plus.thickness,i=document.createElementNS("http://www.w3.org/2000/svg","svg"),r=document.createElementNS("http://www.w3.org/2000/svg","rect"),n=document.createElementNS("http://www.w3.org/2000/svg","rect");return i.setAttributeNS(null,"id","plus"),r.setAttributeNS(null,"x",0),r.setAttributeNS(null,"y",t/2-e/2),r.setAttributeNS(null,"width",t),r.setAttributeNS(null,"height",e),r.setAttributeNS(null,"fill",this.themeManager.getColor("C")),n.setAttributeNS(null,"x",t/2-e/2),n.setAttributeNS(null,"y",0),n.setAttributeNS(null,"width",e),n.setAttributeNS(null,"height",t),n.setAttributeNS(null,"fill",this.themeManager.getColor("C")),i.appendChild(r),i.appendChild(n),i.setAttributeNS(null,"viewBox","0 0 ".concat(t," ").concat(t)),i}getArrowhead(){let t=this.opts.arrow.headSize,e=document.createElementNS("http://www.w3.org/2000/svg","marker"),i=document.createElementNS("http://www.w3.org/2000/svg","polygon");return e.setAttributeNS(null,"id","arrowhead"),e.setAttributeNS(null,"viewBox","0 0 ".concat(t," ").concat(t)),e.setAttributeNS(null,"markerUnits","userSpaceOnUse"),e.setAttributeNS(null,"markerWidth",t),e.setAttributeNS(null,"markerHeight",t),e.setAttributeNS(null,"refX",0),e.setAttributeNS(null,"refY",t/2),e.setAttributeNS(null,"orient","auto"),e.setAttributeNS(null,"fill",this.themeManager.getColor("C")),i.setAttributeNS(null,"points","0 0, ".concat(t," ").concat(t/2,", 0 ").concat(t)),e.appendChild(i),e}

1getCDArrowhead(){let t=this.opts.arrow.headSize,e=7/4.5*t,i=document.createElementNS("http://www.w3.org/2000/svg","marker"),r=document.createElementNS("http://www.w3.org/2000/svg","path");return i.setAttributeNS(null,"id","arrowhead"),i.setAttributeNS(null,"viewBox","0 0 ".concat(e," ").concat(t)),i.setAttributeNS(null,"markerUnits","userSpaceOnUse"),i.setAttributeNS(null,"markerWidth",2*e),i.setAttributeNS(null,"markerHeight",2*t),i.setAttributeNS(null,"refX",2.2),i.setAttributeNS(null,"refY",2.2),i.setAttributeNS(null,"orient","auto"),i.setAttributeNS(null,"fill",this.themeManager.getColor("C")),r.setAttributeNS(null,"style","fill-rule:nonzero;"),r.setAttributeNS(null,"d","m 0 0 l 7 2.25 l -7 2.25 c 0 0 0.735 -1.084 0.735 -2.28 c 0 -1.196 -0.735 -2.22 -0.735 -2.22 z"),i.appendChild(r),i}getArrow(){let t=this.opts.arrow.headSize,e=this.opts.arrow.length,i=document.createElementNS("http://www.w3.org/2000/svg","svg"),r=document.createElementNS("http://www.w3.org/2000/svg","defs"),n=document.createElementNS("http://www.w3.org/2000/svg","line");return r.appendChild(this.getCDArrowhead()),i.appendChild(r),i.setAttributeNS(null,"id","arrow"),n.setAttributeNS(null,"x1",0),n.setAttributeNS(null,"y1",-this.opts.arrow.thickness/2),n.setAttributeNS(null,"x2",e),n.setAttributeNS(null,"y2",-this.opts.arrow.thickness/2),n.setAttributeNS(null,"stroke-width",this.opts.arrow.thickness),n.setAttributeNS(null,"stroke",this.themeManager.getColor("C")),n.setAttributeNS(null,"marker-end","url(#arrowhead)"),i.appendChild(n),i.setAttributeNS(null,"viewBox","0 ".concat(-t/2," ").concat(e+7/4.5*t," ").concat(t)),i}constructor(t,e){this.drawer=new eC(e),this.molOpts=this.drawer.opts,this.defaultOptions={scale:this.molOpts.scale>0?this.molOpts.scale:1,fontSize:.8*this.molOpts.fontSizeLarge,fontFamily:"Arial, Helvetica, sans-serif",spacing:10,plus:{size:9,thickness:1},arrow:{length:4*this.molOpts.bondLength,headSize:6,thickness:1,margin:3},weights:{normalize:!1}},this.opts=b.extend(!0,this.defaultOptions,t)}}class eM{constructor(t){this.reactantsSmiles=[],this.reagentsSmiles=[],this.productsSmiles=[],this.reactantsWeights=[],this.reagentsWeights=[],this.productsWeights=[],this.reactants=[],this.reagents=[],this.products=[];let e=t.split(">");if(3!==e.length)throw Error('Invalid reaction SMILES: Expected exactly two ">" symbols.');""!==e[0]&&(this.reactantsSmiles=e[0].split(".")),""!==e[1]&&(this.reagentsSmiles=e[1].split(".")),""!==e[2]&&(this.productsSmiles=e[2].split("."));for(let t=0;t<this.reactantsSmiles.length;t++)this.reactants.push(eR.parse(this.reactantsSmiles[t]));for(let t=0;t<this.reagentsSmiles.length;t++)this.reagents.push(eR.parse(this.reagentsSmiles[t]));for(let t=0;t<this.productsSmiles.length;t++)this.products.push(eR.parse(this.productsSmiles[t]))}}class ek{static parse(t){return new eM(t)}}class eT{static apply(){let t=arguments.length>0&&void 0!==arguments[0]?arguments[0]:{},e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:{},i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:"data-smiles",r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:"light",n=arguments.length>4&&void 0!==arguments[4]?arguments[4]:null,s=arguments.length>5&&void 0!==arguments[5]?arguments[5]:null;new eT(t,e).apply(i,r,n,s)}apply(){let t=arguments.length>0&&void 0!==arguments[0]?arguments[0]:"data-smiles",e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:"light",i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:null,r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:null;document.querySelectorAll("[".concat(t,"]")).forEach(n=>{let s=n.getAttribute(t);if(null===s)throw Error("No SMILES provided.");let l=e,o=null;if(n.hasAttribute("data-smiles-theme")&&(l=n.getAttribute("data-smiles-theme")),n.hasAttribute("data-smiles-weights")&&(o=n.getAttribute("data-smiles-weights").split(",").map(parseFloat)),(n.hasAttribute("data-smiles-reactant-weights")||n.hasAttribute("data-smiles-reagent-weights")||n.hasAttribute("data-smiles-product-weights"))&&(o={reactants:[],reagents:[],products:[]},n.hasAttribute("data-smiles-reactant-weights")&&(o.reactants=n.getAttribute("data-smiles-reactant-weights").split(";").map(t=>t.split(",").map(parseFloat))),n.hasAttribute("data-smiles-reagent-weights")&&(o.reagents=n.getAttribute("data-smiles-reagent-weights").split(";").map(t=>t.split(",").map(parseFloat))),n.hasAttribute("data-smiles-product-weights")&&(o.products=n.getAttribute("data-smiles-product-weights").split(";").map(t=>t.split(",").map(parseFloat)))),n.hasAttribute("data-smiles-options")||n.hasAttribute("data-smiles-reaction-options")){let t={};n.hasAttribute("data-smiles-options")&&(t=JSON.parse(n.getAttribute("data-smiles-options").replace(/'/g,'"')));let e={};n.hasAttribute("data-smiles-reaction-options")&&(e=JSON.parse(n.getAttribute("data-smiles-reaction-options").replace(/'/g,'"'))),new eT(t,e).draw(s,n,l,i,r,o)}else this.draw(s,n,l,i,r,o)})}draw(t,e){let i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:"light",r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:null,n=arguments.length>4&&void 0!==arguments[4]?arguments[4]:null,s=arguments.length>5&&void 0!==arguments[5]?arguments[5]:null,l=[];[t,...l]=t.split(" ");let o=l.join(" "),a={};if(o.includes("__")&&(a=JSON.parse(o.substring(o.indexOf("__")+2,o.lastIndexOf("__")).replace(/'/g,'"'))),a=b.extend(!0,{textAboveArrow:"{reagents}",textBelowArrow:""},a),t.includes(">

1"))try{this.drawReaction(t,e,i,a,s,r)}catch(t){n?n(t):console.error(t)}else try{this.drawMolecule(t,e,i,s,r)}catch(t){n?n(t):console.error(t)}}drawMolecule(t,e,i,r,n){let s=eR.parse(t);if(null===e||"svg"===e){let t=this.drawer.draw(s,null,i,r),e=this.getDimensions(t);t.setAttributeNS(null,"width",""+e.w),t.setAttributeNS(null,"height",""+e.h),n&&n(t)}else if("canvas"===e){let t=this.svgToCanvas(this.drawer.draw(s,null,i,r));n&&n(t)}else if("img"===e){let t=this.svgToImg(this.drawer.draw(s,null,i,r));n&&n(t)}else e instanceof HTMLImageElement?(this.svgToImg(this.drawer.draw(s,null,i,r),e),n&&n(e)):e instanceof SVGElement?(this.drawer.draw(s,e,i,r),n&&n(e)):document.querySelectorAll(e).forEach(t=>{let e=t.nodeName.toLowerCase();"svg"===e?(this.drawer.draw(s,t,i,r),n&&n(t)):"canvas"===e?(this.svgToCanvas(this.drawer.draw(s,null,i,r),t),n&&n(t)):"img"===e&&(this.svgToImg(this.drawer.draw(s,null,i,r),t),n&&n(t))})}drawReaction(t,e,i,r,n,s){let l=ek.parse(t);if(null===e||"svg"===e){let t=this.reactionDrawer.draw(l,null,i),e=this.getDimensions(t);t.setAttributeNS(null,"width",""+e.w),t.setAttributeNS(null,"height",""+e.h),s&&s(t)}else if("canvas"===e){let t=this.svgToCanvas(this.reactionDrawer.draw(l,null,i,n,r.textAboveArrow,r.textBelowArrow));s&&s(t)}else if("img"===e){let t=this.svgToImg(this.reactionDrawer.draw(l,null,i,n,r.textAboveArrow,r.textBelowArrow));s&&s(t)}else e instanceof HTMLImageElement?(this.svgToImg(this.reactionDrawer.draw(l,null,i,n,r.textAboveArrow,r.textBelowArrow),e),s&&s(e)):e instanceof SVGElement?(this.reactionDrawer.draw(l,e,i,n,r.textAboveArrow,r.textBelowArrow),s&&s(e)):document.querySelectorAll(e).forEach(t=>{let e=t.nodeName.toLowerCase();"svg"===e?(this.reactionDrawer.draw(l,t,i,n,r.textAboveArrow,r.textBelowArrow),this.reactionDrawer.opts.scale<=0&&(t.style.width=null,t.style.height=null),s&&s(t)):"canvas"===e?(this.svgToCanvas(this.reactionDrawer.draw(l,null,i,n,r.textAboveArrow,r.textBelowArrow),t),s&&s(t)):"img"===e&&(this.svgToImg(this.reactionDrawer.draw(l,null,i,n,r.textAboveArrow,r.textBelowArrow),t),s&&s(t))})}svgToCanvas(t){let e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:null;null===e&&(e=document.createElement("canvas"));let i=this.getDimensions(e,t);return eA.svgToCanvas(t,e,i.w,i.h),e}svgToImg(t){let e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:null;null===e&&(e=document.createElement("img"));let i=this.getDimensions(e,t);return eA.svgToImg(t,e,i.w,i.h),e}getDimensions(t){let e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:null,i=this.drawer.opts.width,r=this.drawer.opts.height;return this.drawer.opts.scale<=0?(t instanceof SVGElement||(null===i&&(i=t.width),null===r&&(r=t.height)),""!==t.style.width&&(i=parseInt(t.style.width)),""!==t.style.height&&(r=parseInt(t.style.height))):e&&(i=parseFloat(e.style.width),r=parseFloat(e.style.height)),{w:i,h:r}}constructor(t={},e={}){this.drawer=new eC(t),this.reactionDrawer=new eI(e,JSON.parse(JSON.stringify(this.drawer.opts)))}}let eB={Version:"2.2.1",Drawer:eN,GaussDrawer:ex,Parser:eR,ReactionDrawer:eI,ReactionParser:ek,SmiDrawer:eT,SvgDrawer:eC};eB.clean=function(t){return t.replace(/[^A-Za-z0-9@.+\-?!()[\]{}/\\=#$:*]/g,"")},eB.apply=function(t){let e=arguments.length>1&&void 0!==arguments[1]?arguments[1]:"canvas[data-smiles]",i=arguments.length>2&&void 0!==arguments[2]?arguments[2]:"light",r=arguments.length>3&&void 0!==arguments[3]?arguments[3]:null,n=new eN(t),s=document.querySelectorAll(e);for(var l=0;l<s.length;l++){let t=s[l];eB.parse(t.getAttribute("data-smiles"),function(e){n.draw(e,t,i,!1)},function(t){r&&r(t)})}},eB.parse=function(t,e,i){try{e&&e(eR.parse(t))}catch(t){i&&i(t)}},eB.parseReaction=function(t,e,i){try{e&&e(ek.parse(t))}catch(t){i&&i(t)}},Array.prototype.fill||Object.defineProperty(Array.prototype,"fill",{value:function(t){if(this==null)throw TypeError("this is null or not defined");for(var e=Object(this),i=e.length>>>0,r=arguments[1],n=0|r,s=n<0?Math.max(i+n,0):Math.min(n,i),l=arguments[2],o=void 0===l?i:0|l,a=o<0?Math.max(i+o,0):Math.min(o,i);s<a;)e[s]=t,s++;return e},writeable:!1}),"undefined"!=typeof window&&window.document&&window.document.createElement&&(window.SmilesDrawer=eB,window.SmiDrawer=eT);let eL=eB}}]);

Line numbers count LF bytes from the start of the resource, as the search results do. Vendor segments are library code the classifier recognised; they are stored but not indexed. Bytes are shown as Latin1 characters, one per byte.