smiles-drawer
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A SMILES drawer and parser. Generate molecular structure depictions in pure JavaScript.
2,046 lines (569 loc) • 59.3 kB
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<h2><a href="index.html">Home</a></h2><h3>Classes</h3><ul><li><a href="module.exports.html">exports</a></li><li><a href="SmilesDrawer.ArrayHelper.html">ArrayHelper</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.clone">clone</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.contains">contains</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.containsAll">containsAll</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.count">count</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.deepCopy">deepCopy</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.each">each</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.get">get</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.intersection">intersection</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.merge">merge</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.print">print</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.remove">remove</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.removeAll">removeAll</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.removeUnique">removeUnique</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.sortByAtomicNumberDesc">sortByAtomicNumberDesc</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.toggle">toggle</a></li><li data-type='method'><a href="SmilesDrawer.ArrayHelper.html#.unique">unique</a></li></ul></li><li><a href="SmilesDrawer.Atom.html">Atom</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.Atom.html#.getDuplicateAtomicNumbers">getDuplicateAtomicNumbers</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#.hasDuplicateAtomicNumbers">hasDuplicateAtomicNumbers</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#.sortByAtomicNumber">sortByAtomicNumber</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#addAnchoredRing">addAnchoredRing</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#addNeighbouringElement">addNeighbouringElement</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#attachPseudoElement">attachPseudoElement</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#backupRings">backupRings</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#getAtomicNumber">getAtomicNumber</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#getAttachedPseudoElements">getAttachedPseudoElements</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#getAttachedPseudoElementsCount">getAttachedPseudoElementsCount</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#getOrder">getOrder</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#getRingbondCount">getRingbondCount</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#haveCommonRingbond">haveCommonRingbond</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#neighbouringElementsEqual">neighbouringElementsEqual</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#restoreRings">restoreRings</a></li><li data-type='method'><a href="SmilesDrawer.Atom.html#setOrder">setOrder</a></li></ul></li><li><a href="SmilesDrawer.CanvasWrapper.html">CanvasWrapper</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#clear">clear</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawAromaticityRing">drawAromaticityRing</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawBall">drawBall</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawCircle">drawCircle</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawDashedWedge">drawDashedWedge</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawDebugPoint">drawDebugPoint</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawDebugText">drawDebugText</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawLine">drawLine</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawPoint">drawPoint</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawText">drawText</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#drawWedge">drawWedge</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#getColor">getColor</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#reset">reset</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#scale">scale</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#setTheme">setTheme</a></li><li data-type='method'><a href="SmilesDrawer.CanvasWrapper.html#updateSize">updateSize</a></li></ul></li><li><a href="SmilesDrawer.Edge.html">Edge</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.Edge.html#getBondCount">getBondCount</a></li></ul></li><li><a href="SmilesDrawer.Graph.html">Graph</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.Graph.html#._ccCountDfs">_ccCountDfs</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#._ccGetDfs">_ccGetDfs</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#.getConnectedComponentCount">getConnectedComponentCount</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#.getConnectedComponents">getConnectedComponents</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#_bridgeDfs">_bridgeDfs</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#_init">_init</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#_initInfos">_initInfos</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#addEdge">addEdge</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#addVertex">addVertex</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#clear">clear</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getAdjacencyList">getAdjacencyList</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getAdjacencyMatrix">getAdjacencyMatrix</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getBridges">getBridges</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getComponentsAdjacencyMatrix">getComponentsAdjacencyMatrix</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getDistanceMatrix">getDistanceMatrix</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getEdge">getEdge</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getEdgeList">getEdgeList</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getEdges">getEdges</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getSubgraphAdjacencyList">getSubgraphAdjacencyList</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getSubgraphAdjacencyMatrix">getSubgraphAdjacencyMatrix</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getSubgraphDistanceMatrix">getSubgraphDistanceMatrix</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#getVertexList">getVertexList</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#hasEdge">hasEdge</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#kkLayout">kkLayout</a></li><li data-type='method'><a href="SmilesDrawer.Graph.html#traverseBF">traverseBF</a></li></ul></li><li><a href="SmilesDrawer.Line.html">Line</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.Line.html#clone">clone</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getAngle">getAngle</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getLeftChiral">getLeftChiral</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getLeftElement">getLeftElement</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getLeftVector">getLeftVector</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getLength">getLength</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getNormals">getNormals</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getRightChiral">getRightChiral</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getRightElement">getRightElement</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#getRightVector">getRightVector</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#rotate">rotate</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#rotateToXAxis">rotateToXAxis</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#setLeftVector">setLeftVector</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#setRightVector">setRightVector</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#shorten">shorten</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#shortenFrom">shortenFrom</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#shortenLeft">shortenLeft</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#shortenRight">shortenRight</a></li><li data-type='method'><a href="SmilesDrawer.Line.html#shortenTo">shortenTo</a></li></ul></li><li><a href="SmilesDrawer.Ring.html">Ring</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.Ring.html#clone">clone</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#contains">contains</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#eachMember">eachMember</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#getAngle">getAngle</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#getDoubleBondCount">getDoubleBondCount</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#getOrderedNeighbours">getOrderedNeighbours</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#getPolygon">getPolygon</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#getSize">getSize</a></li><li data-type='method'><a href="SmilesDrawer.Ring.html#isBenzeneLike">isBenzeneLike</a></li></ul></li><li><a href="SmilesDrawer.RingConnection.html">RingConnection</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.RingConnection.html#.getNeighbours">getNeighbours</a></li><li data-type='method'><a href="SmilesDrawer.RingConnection.html#.getVertices">getVertices</a></li><li data-type='method'><a href="SmilesDrawer.RingConnection.html#.isBridge">isBridge</a></li><li data-type='method'><a href="SmilesDrawer.RingConnection.html#addVertex">addVertex</a></li><li data-type='method'><a href="SmilesDrawer.RingConnection.html#containsRing">containsRing</a></li><li data-type='method'><a href="SmilesDrawer.RingConnection.html#isBridge">isBridge</a></li><li data-type='method'><a href="SmilesDrawer.RingConnection.html#updateOther">updateOther</a></li></ul></li><li><a href="SmilesDrawer.SSSR.html">SSSR</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.SSSR.html#.areSetsEqual">areSetsEqual</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.bondsToAtoms">bondsToAtoms</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.getBondCount">getBondCount</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.getEdgeCount">getEdgeCount</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.getEdgeList">getEdgeList</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.getPathIncludedDistanceMatrices">getPathIncludedDistanceMatrices</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.getRingCandidates">getRingCandidates</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.getRings">getRings</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.getSSSR">getSSSR</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.isSupersetOf">isSupersetOf</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.matrixToString">matrixToString</a></li><li data-type='method'><a href="SmilesDrawer.SSSR.html#.pathSetsContain">pathSetsContain</a></li></ul></li><li><a href="SmilesDrawer.Vector2.html">Vector2</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.Vector2.html#add">add</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#angle">angle</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#clockwise">clockwise</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#clone">clone</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#distance">distance</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#distanceSq">distanceSq</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#divide">divide</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#getRotateAwayFromAngle">getRotateAwayFromAngle</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#getRotateToAngle">getRotateToAngle</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#getRotateTowardsAngle">getRotateTowardsAngle</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#invert">invert</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#isInPolygon">isInPolygon</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#length">length</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#lengthSq">lengthSq</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#multiply">multiply</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#multiplyScalar">multiplyScalar</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#normalize">normalize</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#normalized">normalized</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#rotate">rotate</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#rotateAround">rotateAround</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#rotateAwayFrom">rotateAwayFrom</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#rotateTo">rotateTo</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#sameSideAs">sameSideAs</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#subtract">subtract</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#toString">toString</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#whichSide">whichSide</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.add">add</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.angle">angle</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.averageDirection">averageDirection</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.divide">divide</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.dot">dot</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.midpoint">midpoint</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.multiply">multiply</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.multiplyScalar">multiplyScalar</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.normals">normals</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.scalarProjection">scalarProjection</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.subtract">subtract</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.threePointangle">threePointangle</a></li><li data-type='method'><a href="SmilesDrawer.Vector2.html#.units">units</a></li></ul></li><li><a href="SmilesDrawer.Vertex.html">Vertex</a><ul class='methods'><li data-type='method'><a href="SmilesDrawer.Vertex.html#addChild">addChild</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#clone">clone</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#equals">equals</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#getAngle">getAngle</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#getDrawnNeighbours">getDrawnNeighbours</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#getNeighbourCount">getNeighbourCount</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#getNeighbours">getNeighbours</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#getNextInRing">getNextInRing</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#getSpanningTreeNeighbours">getSpanningTreeNeighbours</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#getTextDirection">getTextDirection</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#isTerminal">isTerminal</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#setParentVertexId">setParentVertexId</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#setPosition">setPosition</a></li><li data-type='method'><a href="SmilesDrawer.Vertex.html#setPositionFromVector">setPositionFromVector</a></li></ul></li></ul><h3>Global</h3><ul><li><a href="global.html#addRing">addRing</a></li><li><a href="global.html#addRingConnection">addRingConnection</a></li><li><a href="global.html#apothem">apothem</a></li><li><a href="global.html#areVerticesInSameRing">areVerticesInSameRing</a></li><li><a href="global.html#backupRingInformation">backupRingInformation</a></li><li><a href="global.html#centralAngle">centralAngle</a></li><li><a href="global.html#chooseSide">chooseSide</a></li><li><a href="global.html#createBridgedRing">createBridgedRing</a></li><li><a href="global.html#createNextBond">createNextBond</a></li><li><a href="global.html#createRing">createRing</a></li><li><a href="global.html#draw">draw</a></li><li><a href="global.html#drawEdge">drawEdge</a></li><li><a href="global.html#drawEdges">drawEdges</a></li><li><a href="global.html#drawVertices">drawVertices</a></li><li><a href="global.html#edgeRingCount">edgeRingCount</a></li><li><a href="global.html#extend">extend</a></li><li><a href="global.html#getBondCount">getBondCount</a></li><li><a href="global.html#getBridgedRingRings">getBridgedRingRings</a></li><li><a href="global.html#getBridgedRings">getBridgedRings</a></li><li><a href="global.html#getClosestVertex">getClosestVertex</a></li><li><a href="global.html#getCommonRingbondNeighbour">getCommonRingbondNeighbour</a></li><li><a href="global.html#getCommonRings">getCommonRings</a></li><li><a href="global.html#getCurrentCenterOfMass">getCurrentCenterOfMass</a></li><li><a href="global.html#getCurrentCenterOfMassInNeigbourhood">getCurrentCenterOfMassInNeigbourhood</a></li><li><a href="global.html#getEdgeNormals">getEdgeNormals</a></li><li><a href="global.html#getFusedRings">getFusedRings</a></li><li><a href="global.html#getHeavyAtomCount">getHeavyAtomCount</a></li><li><a href="global.html#getLargestOrAromaticCommonRing">getLargestOrAromaticCommonRing</a></li><li><a href="global.html#getNonRingNeighbours">getNonRingNeighbours</a></li><li><a href="global.html#getOverlapScore">getOverlapScore</a></li><li><a href="global.html#getRing">getRing</a></li><li><a href="global.html#getRingbondType">getRingbondType</a></li><li><a href="global.html#getRingConnection">getRingConnection</a></li><li><a href="global.html#getRingConnections">getRingConnections</a></li><li><a href="global.html#getRingCount">getRingCount</a></li><li><a href="global.html#getSpiros">getSpiros</a></li><li><a href="global.html#getSubringCenter">getSubringCenter</a></li><li><a href="global.html#getSubtreeOverlapScore">getSubtreeOverlapScore</a></li><li><a href="global.html#getTotalOverlapScore">getTotalOverlapScore</a></li><li><a href="global.html#getTreeDepth">getTreeDepth</a></li><li><a href="global.html#getVerticesAt">getVerticesAt</a></li><li><a href="global.html#hasBridgedRing">hasBridgedRing</a></li><li><a href="global.html#initPseudoElements">initPseudoElements</a></li><li><a href="global.html#initRings">initRings</a></li><li><a href="global.html#innerAngle">innerAngle</a></li><li><a href="global.html#isEdgeInRing">isEdgeInRing</a></li><li><a href="global.html#isEdgeRotatable">isEdgeRotatable</a></li><li><a href="global.html#isPartOfBridgedRing">isPartOfBridgedRing</a></li><li><a href="global.html#isPointInRing">isPointInRing</a></li><li><a href="global.html#isRingAromatic">isRingAromatic</a></li><li><a href="global.html#meanAngle">meanAngle</a></li><li><a href="global.html#parityOfPermutation">parityOfPermutation</a></li><li><a href="global.html#polyCircumradius">polyCircumradius</a></li><li><a href="global.html#position">position</a></li><li><a href="global.html#printRingInfo">printRingInfo</a></li><li><a href="global.html#removeRing">removeRing</a></li><li><a href="global.html#removeRingConnection">removeRingConnection</a></li><li><a href="global.html#removeRingConnectionsBetween">removeRingConnectionsBetween</a></li><li><a href="global.html#resolvePrimaryOverlaps">resolvePrimaryOverlaps</a></li><li><a href="global.html#resolveSecondaryOverlaps">resolveSecondaryOverlaps</a></li><li><a href="global.html#restoreRingInformation">restoreRingInformation</a></li><li><a href="global.html#rotateSubtree">rotateSubtree</a></li><li><a href="global.html#round">round</a></li><li><a href="global.html#setRingCenter">setRingCenter</a></li><li><a href="global.html#SmilesDrawer">SmilesDrawer</a></li><li><a href="global.html#toDeg">toDeg</a></li><li><a href="global.html#toRad">toRad</a></li><li><a href="global.html#traverseTree">traverseTree</a></li></ul>
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<div id="main">
<h1 class="page-title">Vertex</h1>
<section>
<header>
<h2>
<span class="ancestors"><a href="global.html#SmilesDrawer">SmilesDrawer</a>.</span>
Vertex
</h2>
<div class="class-description"><p>A class representing a vertex.</p></div>
</header>
<article>
<div class="container-overview">
<h2>Constructor</h2>
<h4 class="name" id="Vertex"><span class="type-signature"></span>new Vertex<span class="signature">(value, x<span class="signature-attributes">opt</span>, y<span class="signature-attributes">opt</span>)</span><span class="type-signature"></span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line21">line 21</a>
</li></ul></dd>
</dl>
<h5 class="subsection-title">Properties:</h5>
<table class="props">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>id</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The id of this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>value</code></td>
<td class="type">
<span class="param-type">Atom</span>
</td>
<td class="description last"><p>The atom associated with this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>position</code></td>
<td class="type">
<span class="param-type"><a href="SmilesDrawer.Vector2.html">SmilesDrawer.Vector2</a></span>
</td>
<td class="description last"><p>The position of this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>previousPosition</code></td>
<td class="type">
<span class="param-type"><a href="SmilesDrawer.Vector2.html">SmilesDrawer.Vector2</a></span>
</td>
<td class="description last"><p>The position of the previous vertex.</p></td>
</tr>
<tr>
<td class="name"><code>parentVertexId</code></td>
<td class="type">
<span class="param-type">Number</span>
|
<span class="param-type">null</span>
</td>
<td class="description last"><p>The id of the previous vertex.</p></td>
</tr>
<tr>
<td class="name"><code>children</code></td>
<td class="type">
<span class="param-type">Array.<Number></span>
</td>
<td class="description last"><p>The ids of the children of this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>spanningTreeChildren</code></td>
<td class="type">
<span class="param-type">Array.<Number></span>
</td>
<td class="description last"><p>The ids of the children of this vertex as defined in the spanning tree defined by the SMILES.</p></td>
</tr>
<tr>
<td class="name"><code>edges</code></td>
<td class="type">
<span class="param-type">Array.<Number></span>
</td>
<td class="description last"><p>The ids of edges associated with this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>positioned</code></td>
<td class="type">
<span class="param-type">Boolean</span>
</td>
<td class="description last"><p>A boolean indicating whether or not this vertex has been positioned.</p></td>
</tr>
<tr>
<td class="name"><code>angle</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The angle of this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>globalAngle</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The global angle of this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>dir</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The direction of this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>neighbourCount</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The number of neighbouring vertices.</p></td>
</tr>
<tr>
<td class="name"><code>neighbours</code></td>
<td class="type">
<span class="param-type">Array.<Number></span>
</td>
<td class="description last"><p>The vertex ids of neighbouring vertices.</p></td>
</tr>
<tr>
<td class="name"><code>neighbouringElements</code></td>
<td class="type">
<span class="param-type">Array.<String></span>
</td>
<td class="description last"><p>The element symbols associated with neighbouring vertices.</p></td>
</tr>
<tr>
<td class="name"><code>forcePositioned</code></td>
<td class="type">
<span class="param-type">Boolean</span>
</td>
<td class="description last"><p>A boolean indicating whether or not this vertex was positioned using a force-based approach.</p></td>
</tr>
</tbody>
</table>
<div class="description">
<p>The constructor for the class Vertex.</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th>Attributes</th>
<th>Default</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>value</code></td>
<td class="type">
<span class="param-type">*</span>
</td>
<td class="attributes">
</td>
<td class="default">
</td>
<td class="description last"><p>The value associated with this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>x</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="attributes">
<optional><br>
</td>
<td class="default">
<code>0</code>
</td>
<td class="description last"><p>The initial x coordinate of the positional vector of this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>y</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="attributes">
<optional><br>
</td>
<td class="default">
<code>0</code>
</td>
<td class="description last"><p>The initial y coordinate of the positional vector of this vertex.</p></td>
</tr>
</tbody>
</table>
</div>
<h3 class="subsection-title">Methods</h3>
<h4 class="name" id="addChild"><span class="type-signature"></span>addChild<span class="signature">(vertexID)</span><span class="type-signature"></span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line75">line 75</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Add a child vertex id to this vertex.</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>vertexID</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The id of a vertex to be added as a child to this vertex.</p></td>
</tr>
</tbody>
</table>
<h4 class="name" id="clone"><span class="type-signature"></span>clone<span class="signature">()</span><span class="type-signature"> → {<a href="SmilesDrawer.Vertex.html">SmilesDrawer.Vertex</a>}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line114">line 114</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Clones this vertex and returns the clone.</p>
</div>
<h5>Returns:</h5>
<div class="param-desc">
<p>A clone of this vertex.</p>
</div>
<dl class="param-type">
<dt>
Type
</dt>
<dd>
<span class="param-type"><a href="SmilesDrawer.Vertex.html">SmilesDrawer.Vertex</a></span>
</dd>
</dl>
<h4 class="name" id="equals"><span class="type-signature"></span>equals<span class="signature">(vertex)</span><span class="type-signature"> → {Boolean}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line134">line 134</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Returns true if this vertex and the supplied vertex both have the same id, else returns false.</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>vertex</code></td>
<td class="type">
<span class="param-type"><a href="SmilesDrawer.Vertex.html">SmilesDrawer.Vertex</a></span>
</td>
<td class="description last"><p>The vertex to check.</p></td>
</tr>
</tbody>
</table>
<h5>Returns:</h5>
<div class="param-desc">
<p>A boolean indicating whether or not the two vertices have the same id.</p>
</div>
<dl class="param-type">
<dt>
Type
</dt>
<dd>
<span class="param-type">Boolean</span>
</dd>
</dl>
<h4 class="name" id="getAngle"><span class="type-signature"></span>getAngle<span class="signature">(referenceVector<span class="signature-attributes">opt</span>, returnAsDegrees<span class="signature-attributes">opt</span>)</span><span class="type-signature"> → {Number}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line145">line 145</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Returns the angle of this vertexes positional vector. If a reference vector is supplied in relations to this vector, else in relations to the coordinate system.</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th>Attributes</th>
<th>Default</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>referenceVector</code></td>
<td class="type">
<span class="param-type"><a href="SmilesDrawer.Vertex.html">SmilesDrawer.Vertex</a></span>
</td>
<td class="attributes">
<optional><br>
</td>
<td class="default">
<code>null</code>
</td>
<td class="description last"><p>The reference vector.</p></td>
</tr>
<tr>
<td class="name"><code>returnAsDegrees</code></td>
<td class="type">
<span class="param-type">Boolean</span>
</td>
<td class="attributes">
<optional><br>
</td>
<td class="default">
<code>false</code>
</td>
<td class="description last"><p>If true, returns angle in degrees, else in radians.</p></td>
</tr>
</tbody>
</table>
<h5>Returns:</h5>
<div class="param-desc">
<p>The angle of this vertex.</p>
</div>
<dl class="param-type">
<dt>
Type
</dt>
<dd>
<span class="param-type">Number</span>
</dd>
</dl>
<h4 class="name" id="getDrawnNeighbours"><span class="type-signature"></span>getDrawnNeighbours<span class="signature">(vertices)</span><span class="type-signature"> → {Array.<Number>}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line222">line 222</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Returns an array of ids of neighbouring vertices that will be drawn (vertex.value.isDrawn === true).</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>vertices</code></td>
<td class="type">
<span class="param-type">Array.<<a href="SmilesDrawer.Vertex.html">SmilesDrawer.Vertex</a>></span>
</td>
<td class="description last"><p>An array containing the vertices associated with the current molecule.</p></td>
</tr>
</tbody>
</table>
<h5>Returns:</h5>
<div class="param-desc">
<p>An array containing the ids of neighbouring vertices that will be drawn.</p>
</div>
<dl class="param-type">
<dt>
Type
</dt>
<dd>
<span class="param-type">Array.<Number></span>
</dd>
</dl>
<h4 class="name" id="getNeighbourCount"><span class="type-signature"></span>getNeighbourCount<span class="signature">()</span><span class="type-signature"> → {Number}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line239">line 239</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Returns the number of neighbours of this vertex.</p>
</div>
<h5>Returns:</h5>
<div class="param-desc">
<p>The number of neighbours.</p>
</div>
<dl class="param-type">
<dt>
Type
</dt>
<dd>
<span class="param-type">Number</span>
</dd>
</dl>
<h4 class="name" id="getNeighbours"><span class="type-signature"></span>getNeighbours<span class="signature">(vertexId<span class="signature-attributes">opt</span>)</span><span class="type-signature"> → {Array.<Number>}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line200">line 200</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Returns an array of ids of neighbouring vertices.</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th>Attributes</th>
<th>Default</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>vertexId</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="attributes">
<optional><br>
</td>
<td class="default">
<code>null</code>
</td>
<td class="description last"><p>If a value is supplied, the vertex with this id is excluded from the returned indices.</p></td>
</tr>
</tbody>
</table>
<h5>Returns:</h5>
<div class="param-desc">
<p>An array containing the ids of neighbouring vertices.</p>
</div>
<dl class="param-type">
<dt>
Type
</dt>
<dd>
<span class="param-type">Array.<Number></span>
</dd>
</dl>
<h4 class="name" id="getNextInRing"><span class="type-signature"></span>getNextInRing<span class="signature">(vertices, ringId, previousVertexId)</span><span class="type-signature"> → {Number}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line275">line 275</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Gets the next vertex in the ring in opposide direction to the supplied vertex id.</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td class="name"><code>vertices</code></td>
<td class="type">
<span class="param-type">Array.<<a href="SmilesDrawer.Vertex.html">SmilesDrawer.Vertex</a>></span>
</td>
<td class="description last"><p>The array of vertices for the current molecule.</p></td>
</tr>
<tr>
<td class="name"><code>ringId</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The id of the ring containing this vertex.</p></td>
</tr>
<tr>
<td class="name"><code>previousVertexId</code></td>
<td class="type">
<span class="param-type">Number</span>
</td>
<td class="description last"><p>The id of the previous vertex. The next vertex will be opposite from the vertex with this id as seen from this vertex.</p></td>
</tr>
</tbody>
</table>
<h5>Returns:</h5>
<div class="param-desc">
<p>The id of the next vertex in the ring.</p>
</div>
<dl class="param-type">
<dt>
Type
</dt>
<dd>
<span class="param-type">Number</span>
</dd>
</dl>
<h4 class="name" id="getSpanningTreeNeighbours"><span class="type-signature"></span>getSpanningTreeNeighbours<span class="signature">(vertexId<span class="signature-attributes">opt</span>)</span><span class="type-signature"> → {Array.<Number>}</span></h4>
<dl class="details">
<dt class="tag-source">Source:</dt>
<dd class="tag-source"><ul class="dummy"><li>
<a href="Vertex.js.html">Vertex.js</a>, <a href="Vertex.js.html#line249">line 249</a>
</li></ul></dd>
</dl>
<div class="description">
<p>Returns a list of ids of vertices neighbouring this one in the original spanning tree, excluding the ringbond connections.</p>
</div>
<h5>Parameters:</h5>
<table class="params">
<thead>
<tr>
<th>Name</th>
<th>Type</th>
<th>Attributes</th>
<th>Default</th>
<th class="last">Description</th>
</tr>
</thead>
<tbody>
<tr>
<td