smiles-drawer

<!DOCTYPE html> <html lang="en"> <head> <meta charset="utf-8"> <title>Pair.js - Documentation</title> <script src="scripts/prettify/prettify.js"></script> <script src="scripts/prettify/lang-css.js"></script>  <link type="text/css" rel="stylesheet" href="styles/prettify.css"> <link type="text/css" rel="stylesheet" href="styles/jsdoc.css"> </head> <body> <input type="checkbox" id="nav-trigger" class="nav-trigger" /> <label for="nav-trigger" class="navicon-button x"> <div class="navicon"></div> </label> <label for="nav-trigger" class="overlay"></label> <nav> <h2><a href="index.html">Home</a></h2><h3>Classes</h3><ul><li><a href="ArrayHelper.html">ArrayHelper</a><ul class='methods'><li data-type='method'><a href="ArrayHelper.html#.clone">clone</a></li><li data-type='method'><a href="ArrayHelper.html#.contains">contains</a></li><li data-type='method'><a href="ArrayHelper.html#.containsAll">containsAll</a></li><li data-type='method'><a href="ArrayHelper.html#.count">count</a></li><li data-type='method'><a href="ArrayHelper.html#.deepCopy">deepCopy</a></li><li data-type='method'><a href="ArrayHelper.html#.each">each</a></li><li data-type='method'><a href="ArrayHelper.html#.get">get</a></li><li data-type='method'><a href="ArrayHelper.html#.intersection">intersection</a></li><li data-type='method'><a href="ArrayHelper.html#.merge">merge</a></li><li data-type='method'><a href="ArrayHelper.html#.print">print</a></li><li data-type='method'><a href="ArrayHelper.html#.remove">remove</a></li><li data-type='method'><a href="ArrayHelper.html#.removeAll">removeAll</a></li><li data-type='method'><a href="ArrayHelper.html#.removeUnique">removeUnique</a></li><li data-type='method'><a href="ArrayHelper.html#.sortByAtomicNumberDesc">sortByAtomicNumberDesc</a></li><li data-type='method'><a href="ArrayHelper.html#.toggle">toggle</a></li><li data-type='method'><a href="ArrayHelper.html#.unique">unique</a></li></ul></li><li><a href="Atom.html">Atom</a><ul class='methods'><li data-type='method'><a href="Atom.html#.getDuplicateAtomicNumbers">getDuplicateAtomicNumbers</a></li><li data-type='method'><a href="Atom.html#.hasDuplicateAtomicNumbers">hasDuplicateAtomicNumbers</a></li><li data-type='method'><a href="Atom.html#.sortByAtomicNumber">sortByAtomicNumber</a></li><li data-type='method'><a href="Atom.html#addAnchoredRing">addAnchoredRing</a></li><li data-type='method'><a href="Atom.html#attachPseudoElement">attachPseudoElement</a></li><li data-type='method'><a href="Atom.html#backupRings">backupRings</a></li><li data-type='method'><a href="Atom.html#canRotate">canRotate</a></li><li data-type='method'><a href="Atom.html#getAtomicNumber">getAtomicNumber</a></li><li data-type='method'><a href="Atom.html#getAttachedPseudoElements">getAttachedPseudoElements</a></li><li data-type='method'><a href="Atom.html#getMaxRingbond">getMaxRingbond</a></li><li data-type='method'><a href="Atom.html#getOrder">getOrder</a></li><li data-type='method'><a href="Atom.html#getRingbondCount">getRingbondCount</a></li><li data-type='method'><a href="Atom.html#hasRing">hasRing</a></li><li data-type='method'><a href="Atom.html#hasRingbonds">hasRingbonds</a></li><li data-type='method'><a href="Atom.html#haveCommonRingbond">haveCommonRingbond</a></li><li data-type='method'><a href="Atom.html#isInRing">isInRing</a></li><li data-type='method'><a href="Atom.html#maxCommonRingbond">maxCommonRingbond</a></li><li data-type='method'><a href="Atom.html#restoreRings">restoreRings</a></li><li data-type='method'><a href="Atom.html#setOrder">setOrder</a></li></ul></li><li><a href="CanvasWrapper.html">CanvasWrapper</a><ul class='methods'><li data-type='method'><a href="CanvasWrapper.html#clear">clear</a></li><li data-type='method'><a href="CanvasWrapper.html#drawAromaticityRing">drawAromaticityRing</a></li><li data-type='method'><a href="CanvasWrapper.html#drawBall">drawBall</a></li><li data-type='method'><a href="CanvasWrapper.html#drawCircle">drawCircle</a></li><li data-type='method'><a href="CanvasWrapper.html#drawDashedWedge">drawDashedWedge</a></li><li data-type='method'><a href="CanvasWrapper.html#drawDebugPoint">drawDebugPoint</a></li><li data-type='method'><a href="CanvasWrapper.html#drawDebugText">drawDebugText</a></li><li data-type='method'><a href="CanvasWrapper.html#drawLine">drawLine</a></li><li data-type='method'><a href="CanvasWrapper.html#drawText">drawText</a></li><li data-type='method'><a href="CanvasWrapper.html#drawWedge">drawWedge</a></li><li data-type='method'><a href="CanvasWrapper.html#getColor">getColor</a></li><li data-type='method'><a href="CanvasWrapper.html#reset">reset</a></li><li data-type='method'><a href="CanvasWrapper.html#scale">scale</a></li><li data-type='method'><a href="CanvasWrapper.html#setTheme">setTheme</a></li><li data-type='method'><a href="CanvasWrapper.html#updateSize">updateSize</a></li></ul></li><li><a href="Edge.html">Edge</a><ul class='methods'><li data-type='method'><a href="Edge.html#getBondCount">getBondCount</a></li></ul></li><li><a href="Line.html">Line</a><ul class='methods'><li data-type='method'><a href="Line.html#clone">clone</a></li><li data-type='method'><a href="Line.html#getAngle">getAngle</a></li><li data-type='method'><a href="Line.html#getLeftChiral">getLeftChiral</a></li><li data-type='method'><a href="Line.html#getLeftElement">getLeftElement</a></li><li data-type='method'><a href="Line.html#getLeftVector">getLeftVector</a></li><li data-type='method'><a href="Line.html#getLength">getLength</a></li><li data-type='method'><a href="Line.html#getNormals">getNormals</a></li><li data-type='method'><a href="Line.html#getRightChiral">getRightChiral</a></li><li data-type='method'><a href="Line.html#getRightElement">getRightElement</a></li><li data-type='method'><a href="Line.html#getRightVector">getRightVector</a></li><li data-type='method'><a href="Line.html#rotate">rotate</a></li><li data-type='method'><a href="Line.html#rotateToXAxis">rotateToXAxis</a></li><li data-type='method'><a href="Line.html#setLeftVector">setLeftVector</a></li><li data-type='method'><a href="Line.html#setRightVector">setRightVector</a></li><li data-type='method'><a href="Line.html#shorten">shorten</a></li><li data-type='method'><a href="Line.html#shortenFrom">shortenFrom</a></li><li data-type='method'><a href="Line.html#shortenLeft">shortenLeft</a></li><li data-type='method'><a href="Line.html#shortenRight">shortenRight</a></li><li data-type='method'><a href="Line.html#shortenTo">shortenTo</a></li></ul></li><li><a href="MathHelper.html">MathHelper</a><ul class='methods'><li data-type='method'><a href="MathHelper.html#.apothem">apothem</a></li><li data-type='method'><a href="MathHelper.html#.centralAngle">centralAngle</a></li><li data-type='method'><a href="MathHelper.html#.innerAngle">innerAngle</a></li><li data-type='method'><a href="MathHelper.html#.meanAngle">meanAngle</a></li><li data-type='method'><a href="MathHelper.html#.polyCircumradius">polyCircumradius</a></li><li data-type='method'><a href="MathHelper.html#.round">round</a></li><li data-type='method'><a href="MathHelper.html#.toDeg">toDeg</a></li><li data-type='method'><a href="MathHelper.html#.toRad">toRad</a></li></ul></li><li><a href="Pair.html">Pair</a><ul class='methods'><li data-type='method'><a href="Pair.html#.createUniquePairs">createUniquePairs</a></li><li data-type='method'><a href="Pair.html#contains">contains</a></li><li data-type='method'><a href="Pair.html#getHash">getHash</a></li></ul></li><li><a href="Ring.html">Ring</a><ul class='methods'><li data-type='method'><a href="Ring.html#.getRing">getRing</a></li><li data-type='method'><a href="Ring.html#allowsFlip">allowsFlip</a></li><li data-type='method'><a href="Ring.html#clone">clone</a></li><li data-type='method'><a href="Ring.html#contains">contains</a></li><li data-type='method'><a href="Ring.html#eachMember">eachMember</a></li><li data-type='method'><a href="Ring.html#getAngle">getAngle</a></li><li data-type='method'><a href="Ring.html#getDoubleBondCount">getDoubleBondCount</a></li><li data-type='method'><a href="Ring.html#getOrderedNeighbours">getOrderedNeighbours</a></li><li data-type='method'><a href="Ring.html#getPolygon">getPolygon</a></li><li data-type='method'><a href="Ring.html#getSize">getSize</a></li><li data-type='method'><a href="Ring.html#isAromatic">isAromatic</a></li><li data-type='method'><a href="Ring.html#isBenzeneLike">isBenzeneLike</a></li><li data-type='method'><a href="Ring.html#setFlipped">setFlipped</a></li><li data-type='method'><a href="Ring.html#thisOrNeighboursContain">thisOrNeighboursContain</a></li></ul></li><li><a href="RingConnection.html">RingConnection</a><ul class='methods'><li data-type='method'><a href="RingConnection.html#.getNeighbours">getNeighbours</a></li><li data-type='method'><a href="RingConnection.html#.getVertices">getVertices</a></li><li data-type='method'><a href="RingConnection.html#.isBridge">isBridge</a></li><li data-type='method'><a href="RingConnection.html#addVertex">addVertex</a></li><li data-type='method'><a href="RingConnection.html#isBridge">isBridge</a></li><li data-type='method'><a href="RingConnection.html#updateOther">updateOther</a></li></ul></li><li><a href="SmilesDrawer.html">SmilesDrawer</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.html#.apply">apply</a></li><li data-type='method'><a href="SmilesDrawer.html#.clean">clean</a></li><li data-type='method'><a href="SmilesDrawer.html#.parse">parse</a></li><li data-type='method'><a href="SmilesDrawer.html#addEdge">addEdge</a></li><li data-type='method'><a href="SmilesDrawer.html#addRing">addRing</a></li><li data-type='method'><a href="SmilesDrawer.html#addRingConnection">addRingConnection</a></li><li data-type='method'><a href="SmilesDrawer.html#addVertex">addVertex</a></li><li data-type='method'><a href="SmilesDrawer.html#areConnected">areConnected</a></li><li data-type='method'><a href="SmilesDrawer.html#areVerticesInSameRing">areVerticesInSameRing</a></li><li data-type='method'><a href="SmilesDrawer.html#backupRingInformation">backupRingInformation</a></li><li data-type='method'><a href="SmilesDrawer.html#chooseSide">chooseSide</a></li><li data-type='method'><a href="SmilesDrawer.html#clearPositions">clearPositions</a></li><li data-type='method'><a href="SmilesDrawer.html#createBridgedRing">createBridgedRing</a></li><li data-type='method'><a href="SmilesDrawer.html#createNextBond">createNextBond</a></li><li data-type='method'><a href="SmilesDrawer.html#createRing">createRing</a></li><li data-type='method'><a href="SmilesDrawer.html#draw">draw</a></li><li data-type='method'><a href="SmilesDrawer.html#drawEdges">drawEdges</a></li><li data-type='method'><a href="SmilesDrawer.html#drawVertices">drawVertices</a></li><li data-type='method'><a href="SmilesDrawer.html#edgeRingCount">edgeRingCount</a></li><li data-type='method'><a href="SmilesDrawer.html#extend">extend</a></li><li data-type='method'><a href="SmilesDrawer.html#forceLayout">forceLayout</a></li><li data-type='method'><a href="SmilesDrawer.html#getAdjacencyMatrix">getAdjacencyMatrix</a></li><li data-type='method'><a href="SmilesDrawer.html#getBondCount">getBondCount</a></li><li data-type='method'><a href="SmilesDrawer.html#getBranch">getBranch</a></li><li data-type='method'><a href="SmilesDrawer.html#getBridgedRingRings">getBridgedRingRings</a></li><li data-type='method'><a href="SmilesDrawer.html#getBridgedRings">getBridgedRings</a></li><li data-type='method'><a href="SmilesDrawer.html#getClosestEndpointVertex">getClosestEndpointVertex</a></li><li data-type='method'><a href="SmilesDrawer.html#getClosestVertex">getClosestVertex</a></li><li data-type='method'><a href="SmilesDrawer.html#getCommonRingbondNeighbour">getCommonRingbondNeighbour</a></li><li data-type='method'><a href="SmilesDrawer.html#getCommonRings">getCommonRings</a></li><li data-type='method'><a href="SmilesDrawer.html#getCurrentCenterOfMass">getCurrentCenterOfMass</a></li><li data-type='method'><a href="SmilesDrawer.html#getCurrentCenterOfMassInNeigbourhood">getCurrentCenterOfMassInNeigbourhood</a></li><li data-type='method'><a href="SmilesDrawer.html#getEdge">getEdge</a></li><li data-type='method'><a href="SmilesDrawer.html#getEdgeNormals">getEdgeNormals</a></li><li data-type='method'><a href="SmilesDrawer.html#getEdgeWeight">getEdgeWeight</a></li><li data-type='method'><a href="SmilesDrawer.html#getFusedRings">getFusedRings</a></li><li data-type='method'><a href="SmilesDrawer.html#getHeavyAtomCount">getHeavyAtomCount</a></li><li data-type='method'><a href="SmilesDrawer.html#getLargestCommonRing">getLargestCommonRing</a></li><li data-type='method'><a href="SmilesDrawer.html#getLargestOrAromaticCommonRing">getLargestOrAromaticCommonRing</a></li><li data-type='method'><a href="SmilesDrawer.html#getNonRingNeighbours">getNonRingNeighbours</a></li><li data-type='method'><a href="SmilesDrawer.html#getOverlapScore">getOverlapScore</a></li><li data-type='method'><a href="SmilesDrawer.html#getRing">getRing</a></li><li data-type='method'><a href="SmilesDrawer.html#getRingbondType">getRingbondType</a></li><li data-type='method'><a href="SmilesDrawer.html#getRingConnections">getRingConnections</a></li><li data-type='method'><a href="SmilesDrawer.html#getRingCount">getRingCount</a></li><li data-type='method'><a href="SmilesDrawer.html#getSmallestCommonRing">getSmallestCommonRing</a></li><li data-type='method'><a href="SmilesDrawer.html#getSpiros">getSpiros</a></li><li data-type='method'><a href="SmilesDrawer.html#getSubringCenter">getSubringCenter</a></li><li data-type='method'><a href="SmilesDrawer.html#getSubtreeOverlapScore">getSubtreeOverlapScore</a></li><li data-type='method'><a href="SmilesDrawer.html#getTotalOverlapScore">getTotalOverlapScore</a></li><li data-type='method'><a href="SmilesDrawer.html#getTreeDepth">getTreeDepth</a></li><li data-type='method'><a href="SmilesDrawer.html#getVerticesAt">getVerticesAt</a></li><li data-type='method'><a href="SmilesDrawer.html#hasBridgedRing">hasBridgedRing</a></li><li data-type='method'><a href="SmilesDrawer.html#initGraph">initGraph</a></li><li data-type='method'><a href="SmilesDrawer.html#initPseudoElements">initPseudoElements</a></li><li data-type='method'><a href="SmilesDrawer.html#initRings">initRings</a></li><li data-type='method'><a href="SmilesDrawer.html#isEdgeInAromaticRing">isEdgeInAromaticRing</a></li><li data-type='method'><a href="SmilesDrawer.html#isEdgeInRing">isEdgeInRing</a></li><li data-type='method'><a href="SmilesDrawer.html#isEdgeRotatable">isEdgeRotatable</a></li><li data-type='method'><a href="SmilesDrawer.html#isPartOfBridgedRing">isPartOfBridgedRing</a></li><li data-type='method'><a href="SmilesDrawer.html#isPointInRing">isPointInRing</a></li><li data-type='method'><a href="SmilesDrawer.html#isRingAromatic">isRingAromatic</a></li><li data-type='method'><a href="SmilesDrawer.html#isRingConnection">isRingConnection</a></li><li data-type='method'><a href="SmilesDrawer.html#isVertexInAromaticRing">isVertexInAromaticRing</a></li><li data-type='method'><a href="SmilesDrawer.html#position">position</a></li><li data-type='method'><a href="SmilesDrawer.html#printRingInfo">printRingInfo</a></li><li data-type='method'><a href="SmilesDrawer.html#removeRing">removeRing</a></li><li data-type='method'><a href="SmilesDrawer.html#removeRingConnection">removeRingConnection</a></li><li data-type='method'><a href="SmilesDrawer.html#removeRingConnectionsBetween">removeRingConnectionsBetween</a></li><li data-type='method'><a href="SmilesDrawer.html#resolvePrimaryOverlaps">resolvePrimaryOverlaps</a></li><li data-type='method'><a href="SmilesDrawer.html#resolveSecondaryOverlaps">resolveSecondaryOverlaps</a></li><li data-type='method'><a href="SmilesDrawer.html#restorePositions">restorePositions</a></li><li data-type='method'><a href="SmilesDrawer.html#restoreRingInformation">restoreRingInformation</a></li><li data-type='method'><a href="SmilesDrawer.html#rotateSubtree">rotateSubtree</a></li><li data-type='method'><a href="SmilesDrawer.html#traverseTree">traverseTree</a></li></ul></li><li><a href="SSSR.html">SSSR</a><ul class='methods'><li data-type='method'><a href="SSSR.html#.areSetsEqual">areSetsEqual</a></li><li data-type='method'><a href="SSSR.html#.bondsToAtoms">bondsToAtoms</a></li><li data-type='method'><a href="SSSR.html#.getEdgeCount">getEdgeCount</a></li><li data-type='method'><a href="SSSR.html#.getPathIncludedDistanceMatrices">getPathIncludedDistanceMatrices</a></li><li data-type='method'><a href="SSSR.html#.getRingCandidates">getRingCandidates</a></li><li data-type='method'><a href="SSSR.html#.getRings">getRings</a></li><li data-type='method'><a href="SSSR.html#.getSSSR">getSSSR</a></li><li data-type='method'><a href="SSSR.html#.pathSetsContain">pathSetsContain</a></li></ul></li><li><a href="Vector2.html">Vector2</a><ul class='methods'><li data-type='method'><a href="Vector2.html#add">add</a></li><li data-type='method'><a href="Vector2.html#angle">angle</a></li><li data-type='method'><a href="Vector2.html#clockwise">clockwise</a></li><li data-type='method'><a href="Vector2.html#clone">clone</a></li><li data-type='method'><a href="Vector2.html#distance">distance</a></li><li data-type='method'><a href="Vector2.html#distanceSq">distanceSq</a></li><li data-type='method'><a href="Vector2.html#divide">divide</a></li><li data-type='method'><a href="Vector2.html#getRotateAwayFromAngle">getRotateAwayFromAngle</a></li><li data-type='method'><a href="Vector2.html#getRotateToAngle">getRotateToAngle</a></li><li data-type='method'><a href="Vector2.html#getRotateTowardsAngle">getRotateTowardsAngle</a></li><li data-type='method'><a href="Vector2.html#invert">invert</a></li><li data-type='method'><a href="Vector2.html#isInPolygon">isInPolygon</a></li><li data-type='method'><a href="Vector2.html#length">length</a></li><li data-type='method'><a href="Vector2.html#multiply">multiply</a></li><li data-type='method'><a href="Vector2.html#normalize">normalize</a></li><li data-type='method'><a href="Vector2.html#normalized">normalized</a></li><li data-type='method'><a href="Vector2.html#rotate">rotate</a></li><li data-type='method'><a href="Vector2.html#rotateAround">rotateAround</a></li><li data-type='method'><a href="Vector2.html#rotateAwayFrom">rotateAwayFrom</a></li><li data-type='method'><a href="Vector2.html#rotateTo">rotateTo</a></li><li data-type='method'><a href="Vector2.html#sameSideAs">sameSideAs</a></li><li data-type='method'><a href="Vector2.html#set">set</a></li><li data-type='method'><a href="Vector2.html#subtract">subtract</a></li><li data-type='method'><a href="Vector2.html#toString">toString</a></li><li data-type='method'><a href="Vector2.html#whichSide">whichSide</a></li><li data-type='method'><a href="Vector2.html#.add">add</a></li><li data-type='method'><a href="Vector2.html#.angle">angle</a></li><li data-type='method'><a href="Vector2.html#.divide">divide</a></li><li data-type='method'><a href="Vector2.html#.dot">dot</a></li><li data-type='method'><a href="Vector2.html#.midpoint">midpoint</a></li><li data-type='method'><a href="Vector2.html#.multiply">multiply</a></li><li data-type='method'><a href="Vector2.html#.multiplyScalar">multiplyScalar</a></li><li data-type='method'><a href="Vector2.html#.normals">normals</a></li><li data-type='method'><a href="Vector2.html#.scalarProjection">scalarProjection</a></li><li data-type='method'><a href="Vector2.html#.subtract">subtract</a></li><li data-type='method'><a href="Vector2.html#.threePointangle">threePointangle</a></li></ul></li><li><a href="Vertex.html">Vertex</a><ul class='methods'><li data-type='method'><a href="Vertex.html#addChild">addChild</a></li><li data-type='method'><a href="Vertex.html#clone">clone</a></li><li data-type='method'><a href="Vertex.html#equals">equals</a></li><li data-type='method'><a href="Vertex.html#getAngle">getAngle</a></li><li data-type='method'><a href="Vertex.html#getCommonNeighbours">getCommonNeighbours</a></li><li data-type='method'><a href="Vertex.html#getDrawnNeighbours">getDrawnNeighbours</a></li><li data-type='method'><a href="Vertex.html#getNeighbourCount">getNeighbourCount</a></li><li data-type='method'><a href="Vertex.html#getNeighbours">getNeighbours</a></li><li data-type='method'><a href="Vertex.html#getNextInRing">getNextInRing</a></li><li data-type='method'><a href="Vertex.html#getSpanningTreeNeighbours">getSpanningTreeNeighbours</a></li><li data-type='method'><a href="Vertex.html#getTextDirection">getTextDirection</a></li><li data-type='method'><a href="Vertex.html#isNeighbour">isNeighbour</a></li><li data-type='method'><a href="Vertex.html#isTerminal">isTerminal</a></li><li data-type='method'><a href="Vertex.html#setParentVertexId">setParentVertexId</a></li><li data-type='method'><a href="Vertex.html#setPosition">setPosition</a></li><li data-type='method'><a href="Vertex.html#setPositionFromVector">setPositionFromVector</a></li></ul></li></ul> </nav> <div id="main"> <h1 class="page-title">Pair.js</h1> <section> <article> <pre class="prettyprint source linenums"><code>/** A class representing a pair */ class Pair { /** * The constructor for the class Pair. * * @param {*} first The first element of the pair. * @param {*} second The second element of the pair. */ constructor(first, second) { this.first = first; this.second = second; } /** * Returns a unique hash for this pair. Uses the cantor pairing function. * * @returns {number} The hash. */ getHash() { // Cantor pairing function, which uniquely encodes // two natural numbers into one natural number // N x N -> N // however replace the last term to make to not take // the order into account return 0.5 * (this.first + this.second) * (this.first + this.second + 1) + (this.first + this.second); } /** * Checks whether or not this pair contains an object. Uses '===' to compare. * * @param {*} item An string or a number (current limitation). * @returns {boolean} A boolean representing whether or not this pair contains a given value. */ contains(item) { return this.first === item || this.second === item; } /** * Creates unique paris from an array. The array must contain unique values. * * @static * @param {array} array An array containing unique values. * @returns {array} An array containing unique pairs created from the provided array. */ static createUniquePairs(array) { // Each element in array has to be unique, else this wont work let pairs = []; for (let i = 0; i < array.length; i++) { let a = array[i]; for (let j = i + 1; j < array.length; j++) { let b = array[j]; pairs.push(new Pair(a, b)) } } return pairs; } } </code></pre> </article> </section> </div> <br class="clear"> <footer> Documentation generated by <a href="https://github.com/jsdoc3/jsdoc">JSDoc 3.4.3</a> on Mon May 08 2017 23:27:38 GMT+0200 (W. Europe Summer Time) using the <a href="https://github.com/clenemt/docdash">docdash</a> theme. </footer> <script>prettyPrint();</script> <script src="scripts/linenumber.js"></script> </body> </html>