smiles-drawer
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A SMILES drawer and parser. Generate molecular structure depictions in pure JavaScript.
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<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#.equals">equals</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#addAnchoredRing">addAnchoredRing</a></li><li data-type='method'><a href="Atom.html#addNeighbouringElement">addNeighbouringElement</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#getAtomicNumber">getAtomicNumber</a></li><li data-type='method'><a href="Atom.html#getAttachedPseudoElements">getAttachedPseudoElements</a></li><li data-type='method'><a href="Atom.html#getAttachedPseudoElementsCount">getAttachedPseudoElementsCount</a></li><li data-type='method'><a href="Atom.html#getMaxBonds">getMaxBonds</a></li><li data-type='method'><a href="Atom.html#getRingbondCount">getRingbondCount</a></li><li data-type='method'><a href="Atom.html#haveCommonRingbond">haveCommonRingbond</a></li><li data-type='method'><a href="Atom.html#isHeteroAtom">isHeteroAtom</a></li><li data-type='method'><a href="Atom.html#neighbouringElementsEqual">neighbouringElementsEqual</a></li><li data-type='method'><a href="Atom.html#restoreRings">restoreRings</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#drawPoint">drawPoint</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#getChargeText">getChargeText</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="Drawer.html">Drawer</a><ul class='methods'><li data-type='method'><a href="Drawer.html#addRing">addRing</a></li><li data-type='method'><a href="Drawer.html#addRingConnection">addRingConnection</a></li><li data-type='method'><a href="Drawer.html#annotateStereochemistry">annotateStereochemistry</a></li><li data-type='method'><a href="Drawer.html#areVerticesInSameRing">areVerticesInSameRing</a></li><li data-type='method'><a href="Drawer.html#backupRingInformation">backupRingInformation</a></li><li data-type='method'><a href="Drawer.html#chooseSide">chooseSide</a></li><li data-type='method'><a href="Drawer.html#createBridgedRing">createBridgedRing</a></li><li data-type='method'><a href="Drawer.html#createNextBond">createNextBond</a></li><li data-type='method'><a href="Drawer.html#createRing">createRing</a></li><li data-type='method'><a href="Drawer.html#draw">draw</a></li><li data-type='method'><a href="Drawer.html#drawEdge">drawEdge</a></li><li data-type='method'><a href="Drawer.html#drawEdges">drawEdges</a></li><li data-type='method'><a href="Drawer.html#drawVertices">drawVertices</a></li><li data-type='method'><a href="Drawer.html#edgeRingCount">edgeRingCount</a></li><li data-type='method'><a href="Drawer.html#extend">extend</a></li><li data-type='method'><a href="Drawer.html#getBridgedRingRings">getBridgedRingRings</a></li><li data-type='method'><a href="Drawer.html#getBridgedRings">getBridgedRings</a></li><li data-type='method'><a href="Drawer.html#getClosestVertex">getClosestVertex</a></li><li data-type='method'><a href="Drawer.html#getCommonRingbondNeighbour">getCommonRingbondNeighbour</a></li><li data-type='method'><a href="Drawer.html#getCommonRings">getCommonRings</a></li><li data-type='method'><a href="Drawer.html#getCurrentCenterOfMass">getCurrentCenterOfMass</a></li><li data-type='method'><a href="Drawer.html#getCurrentCenterOfMassInNeigbourhood">getCurrentCenterOfMassInNeigbourhood</a></li><li data-type='method'><a href="Drawer.html#getEdgeNormals">getEdgeNormals</a></li><li data-type='method'><a href="Drawer.html#getFusedRings">getFusedRings</a></li><li data-type='method'><a href="Drawer.html#getHeavyAtomCount">getHeavyAtomCount</a></li><li data-type='method'><a href="Drawer.html#getLargestOrAromaticCommonRing">getLargestOrAromaticCommonRing</a></li><li data-type='method'><a href="Drawer.html#getLastVertexWithAngle">getLastVertexWithAngle</a></li><li data-type='method'><a href="Drawer.html#getMolecularFormula">getMolecularFormula</a></li><li data-type='method'><a href="Drawer.html#getNonRingNeighbours">getNonRingNeighbours</a></li><li data-type='method'><a href="Drawer.html#getOverlapScore">getOverlapScore</a></li><li data-type='method'><a href="Drawer.html#getRing">getRing</a></li><li data-type='method'><a href="Drawer.html#getRingbondType">getRingbondType</a></li><li data-type='method'><a href="Drawer.html#getRingConnection">getRingConnection</a></li><li data-type='method'><a href="Drawer.html#getRingConnections">getRingConnections</a></li><li data-type='method'><a href="Drawer.html#getRingCount">getRingCount</a></li><li data-type='method'><a href="Drawer.html#getSpiros">getSpiros</a></li><li data-type='method'><a href="Drawer.html#getSubringCenter">getSubringCenter</a></li><li data-type='method'><a href="Drawer.html#getSubtreeOverlapScore">getSubtreeOverlapScore</a></li><li data-type='method'><a href="Drawer.html#getTotalOverlapScore">getTotalOverlapScore</a></li><li data-type='method'><a href="Drawer.html#getVerticesAt">getVerticesAt</a></li><li data-type='method'><a href="Drawer.html#hasBridgedRing">hasBridgedRing</a></li><li data-type='method'><a href="Drawer.html#initPseudoElements">initPseudoElements</a></li><li data-type='method'><a href="Drawer.html#initRings">initRings</a></li><li data-type='method'><a href="Drawer.html#isEdgeInRing">isEdgeInRing</a></li><li data-type='method'><a href="Drawer.html#isEdgeRotatable">isEdgeRotatable</a></li><li data-type='method'><a href="Drawer.html#isPartOfBridgedRing">isPartOfBridgedRing</a></li><li data-type='method'><a href="Drawer.html#isPointInRing">isPointInRing</a></li><li data-type='method'><a href="Drawer.html#isRingAromatic">isRingAromatic</a></li><li data-type='method'><a href="Drawer.html#position">position</a></li><li data-type='method'><a href="Drawer.html#printRingInfo">printRingInfo</a></li><li data-type='method'><a href="Drawer.html#removeRing">removeRing</a></li><li data-type='method'><a href="Drawer.html#removeRingConnection">removeRingConnection</a></li><li data-type='method'><a href="Drawer.html#removeRingConnectionsBetween">removeRingConnectionsBetween</a></li><li data-type='method'><a href="Drawer.html#resolvePrimaryOverlaps">resolvePrimaryOverlaps</a></li><li data-type='method'><a href="Drawer.html#resolveSecondaryOverlaps">resolveSecondaryOverlaps</a></li><li data-type='method'><a href="Drawer.html#restoreRingInformation">restoreRingInformation</a></li><li data-type='method'><a href="Drawer.html#rotateDrawing">rotateDrawing</a></li><li data-type='method'><a href="Drawer.html#rotateSubtree">rotateSubtree</a></li><li data-type='method'><a href="Drawer.html#setRingCenter">setRingCenter</a></li><li data-type='method'><a href="Drawer.html#visitStereochemistry">visitStereochemistry</a></li></ul></li><li><a href="Edge.html">Edge</a><ul class='methods'><li data-type='method'><a href="Edge.html#setBondType">setBondType</a></li></ul></li><li><a href="Graph.html">Graph</a><ul class='methods'><li data-type='method'><a href="Graph.html#._ccCountDfs">_ccCountDfs</a></li><li data-type='method'><a href="Graph.html#._ccGetDfs">_ccGetDfs</a></li><li data-type='method'><a href="Graph.html#.getConnectedComponentCount">getConnectedComponentCount</a></li><li data-type='method'><a href="Graph.html#.getConnectedComponents">getConnectedComponents</a></li><li data-type='method'><a href="Graph.html#_bridgeDfs">_bridgeDfs</a></li><li data-type='method'><a href="Graph.html#_init">_init</a></li><li data-type='method'><a href="Graph.html#addEdge">addEdge</a></li><li data-type='method'><a href="Graph.html#addVertex">addVertex</a></li><li data-type='method'><a href="Graph.html#clear">clear</a></li><li data-type='method'><a href="Graph.html#getAdjacencyList">getAdjacencyList</a></li><li data-type='method'><a href="Graph.html#getAdjacencyMatrix">getAdjacencyMatrix</a></li><li data-type='method'><a href="Graph.html#getBridges">getBridges</a></li><li data-type='method'><a href="Graph.html#getComponentsAdjacencyMatrix">getComponentsAdjacencyMatrix</a></li><li data-type='method'><a href="Graph.html#getDistanceMatrix">getDistanceMatrix</a></li><li data-type='method'><a href="Graph.html#getEdge">getEdge</a></li><li data-type='method'><a href="Graph.html#getEdgeList">getEdgeList</a></li><li data-type='method'><a href="Graph.html#getEdges">getEdges</a></li><li data-type='method'><a href="Graph.html#getSubgraphAdjacencyList">getSubgraphAdjacencyList</a></li><li data-type='method'><a href="Graph.html#getSubgraphAdjacencyMatrix">getSubgraphAdjacencyMatrix</a></li><li data-type='method'><a href="Graph.html#getSubgraphDistanceMatrix">getSubgraphDistanceMatrix</a></li><li data-type='method'><a href="Graph.html#getTreeDepth">getTreeDepth</a></li><li data-type='method'><a href="Graph.html#getVertexList">getVertexList</a></li><li data-type='method'><a href="Graph.html#hasEdge">hasEdge</a></li><li data-type='method'><a href="Graph.html#kkLayout">kkLayout</a></li><li data-type='method'><a href="Graph.html#traverseBF">traverseBF</a></li><li data-type='method'><a href="Graph.html#traverseTree">traverseTree</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#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#.parityOfPermutation">parityOfPermutation</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="Ring.html">Ring</a><ul class='methods'><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#isBenzeneLike">isBenzeneLike</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#containsRing">containsRing</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="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#.getBondCount">getBondCount</a></li><li data-type='method'><a href="SSSR.html#.getEdgeCount">getEdgeCount</a></li><li data-type='method'><a href="SSSR.html#.getEdgeList">getEdgeList</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#.isSupersetOf">isSupersetOf</a></li><li data-type='method'><a href="SSSR.html#.matrixToString">matrixToString</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#lengthSq">lengthSq</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#normalize">normalize</a></li><li data-type='method'><a href="Vector2.html#normalized">normalized</a></li><li data-type='method'><a href="Vector2.html#relativeClockwise">relativeClockwise</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#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#.averageDirection">averageDirection</a></li><li data-type='method'><a href="Vector2.html#.divide">divide</a></li><li data-type='method'><a href="Vector2.html#.divideScalar">divideScalar</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><li data-type='method'><a href="Vector2.html#.units">units</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#addRingbondChild">addRingbondChild</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#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#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>
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<h1 class="page-title">Ring.js</h1>
<section>
<article>
<pre class="prettyprint source linenums"><code>//@ts-check
const ArrayHelper = require('./ArrayHelper')
const Vector2 = require('./Vector2')
const Vertex = require('./Vertex')
const RingConnection = require('./RingConnection')
/**
* A class representing a ring.
*
* @property {Number} id The id of this ring.
* @property {Number[]} members An array containing the vertex ids of the ring members.
* @property {Number[]} edges An array containing the edge ids of the edges between the ring members.
* @property {Number[]} insiders An array containing the vertex ids of the vertices contained within the ring if it is a bridged ring.
* @property {Number[]} neighbours An array containing the ids of neighbouring rings.
* @property {Boolean} positioned A boolean indicating whether or not this ring has been positioned.
* @property {Vector2} center The center of this ring.
* @property {Ring[]} rings The rings contained within this ring if this ring is bridged.
* @property {Boolean} isBridged A boolean whether or not this ring is bridged.
* @property {Boolean} isPartOfBridged A boolean whether or not this ring is part of a bridge ring.
* @property {Boolean} isSpiro A boolean whether or not this ring is part of a spiro.
* @property {Boolean} isFused A boolean whether or not this ring is part of a fused ring.
* @property {Number} centralAngle The central angle of this ring.
* @property {Boolean} canFlip A boolean indicating whether or not this ring allows flipping of attached vertices to the inside of the ring.
*/
class Ring {
/**
* The constructor for the class Ring.
*
* @param {Number[]} members An array containing the vertex ids of the members of the ring to be created.
*/
constructor(members) {
this.id = null;
this.members = members;
this.edges = [];
this.insiders = [];
this.neighbours = [];
this.positioned = false;
this.center = new Vector2(0, 0);
this.rings = [];
this.isBridged = false;
this.isPartOfBridged = false;
this.isSpiro = false;
this.isFused = false;
this.centralAngle = 0.0;
this.canFlip = true;
}
/**
* Clones this ring and returns the clone.
*
* @returns {Ring} A clone of this ring.
*/
clone() {
let clone = new Ring(this.members);
clone.id = this.id;
clone.insiders = ArrayHelper.clone(this.insiders);
clone.neighbours = ArrayHelper.clone(this.neighbours);
clone.positioned = this.positioned;
clone.center = this.center.clone();
clone.rings = ArrayHelper.clone(this.rings);
clone.isBridged = this.isBridged;
clone.isPartOfBridged = this.isPartOfBridged;
clone.isSpiro = this.isSpiro;
clone.isFused = this.isFused;
clone.centralAngle = this.centralAngle;
clone.canFlip = this.canFlip;
return clone;
}
/**
* Returns the size (number of members) of this ring.
*
* @returns {Number} The size (number of members) of this ring.
*/
getSize() {
return this.members.length;
}
/**
* Gets the polygon representation (an array of the ring-members positional vectors) of this ring.
*
* @param {Vertex[]} vertices An array of vertices representing the current molecule.
* @returns {Vector2[]} An array of the positional vectors of the ring members.
*/
getPolygon(vertices) {
let polygon = [];
for (let i = 0; i < this.members.length; i++) {
polygon.push(vertices[this.members[i]].position);
}
return polygon;
}
/**
* Returns the angle of this ring in relation to the coordinate system.
*
* @returns {Number} The angle in radians.
*/
getAngle() {
return Math.PI - this.centralAngle;
}
/**
* Loops over the members of this ring from a given start position in a direction opposite to the vertex id passed as the previousId.
*
* @param {Vertex[]} vertices The vertices associated with the current molecule.
* @param {Function} callback A callback with the current vertex id as a parameter.
* @param {Number} startVertexId The vertex id of the start vertex.
* @param {Number} previousVertexId The vertex id of the previous vertex (the loop calling the callback function will run in the opposite direction of this vertex).
*/
eachMember(vertices, callback, startVertexId, previousVertexId) {
startVertexId = startVertexId || startVertexId === 0 ? startVertexId : this.members[0];
let current = startVertexId;
let max = 0;
while (current != null && max < 100) {
let prev = current;
callback(prev);
current = vertices[current].getNextInRing(vertices, this.id, previousVertexId);
previousVertexId = prev;
// Stop while loop when arriving back at the start vertex
if (current == startVertexId) {
current = null;
}
max++;
}
}
/**
* Returns an array containing the neighbouring rings of this ring ordered by ring size.
*
* @param {RingConnection[]} ringConnections An array of ring connections associated with the current molecule.
* @returns {Object[]} An array of neighbouring rings sorted by ring size. Example: { n: 5, neighbour: 1 }.
*/
getOrderedNeighbours(ringConnections) {
let orderedNeighbours = Array(this.neighbours.length);
for (let i = 0; i < this.neighbours.length; i++) {
let vertices = RingConnection.getVertices(ringConnections, this.id, this.neighbours[i]);
orderedNeighbours[i] = {
n: vertices.length,
neighbour: this.neighbours[i]
};
}
orderedNeighbours.sort(function (a, b) {
// Sort highest to lowest
return b.n - a.n;
});
return orderedNeighbours;
}
/**
* Check whether this ring is an implicitly defined benzene-like (e.g. C1=CC=CC=C1) with 6 members and 3 double bonds.
*
* @param {Vertex[]} vertices An array of vertices associated with the current molecule.
* @returns {Boolean} A boolean indicating whether or not this ring is an implicitly defined benzene-like.
*/
isBenzeneLike(vertices) {
let db = this.getDoubleBondCount(vertices);
let length = this.members.length;
return db === 3 && length === 6 ||
db === 2 && length === 5 ;
}
/**
* Get the number of double bonds inside this ring.
*
* @param {Vertex[]} vertices An array of vertices associated with the current molecule.
* @returns {Number} The number of double bonds inside this ring.
*/
getDoubleBondCount(vertices) {
let doubleBondCount = 0;
for (let i = 0; i < this.members.length; i++) {
let atom = vertices[this.members[i]].value;
if (atom.bondType === '=' || atom.branchBond === '=') {
doubleBondCount++;
}
}
return doubleBondCount;
}
/**
* Checks whether or not this ring contains a member with a given vertex id.
*
* @param {Number} vertexId A vertex id.
* @returns {Boolean} A boolean indicating whether or not this ring contains a member with the given vertex id.
*/
contains(vertexId) {
for (let i = 0; i < this.members.length; i++) {
if (this.members[i] == vertexId) {
return true;
}
}
return false;
}
}
module.exports = Ring;</code></pre>
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