JSDoc: Class: GraphAdaptUtils

Class: GraphAdaptUtils

Kekule. GraphAdaptUtils

Util class to help to convert other structures (e.g., molecule ctab) to graph.

Source:

(static) chemObjToGraph(obj, graph, options) → {Kekule.Graph}

Create corresponding graph from any chem object.

Name	Type	Description
`obj`	Kekule.ChemObject
`graph`	Kekule.Graph	If not set, a new graph will be created.
`options`	Hash	Options to convert to graph. Can include fields: { connectorClasses: array, only connector instanceof those classes will be included in graph. bondTypes: array, only bond types in this array will be converted into edge in graph. expandSubStructures: bool, when put nodes and connectors in graph also. Default is true. ignoreBondedHydrogen: Whether bonded hydrogen atom are converted into graph. Default is true. }

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(static) ctabToGraph(connTab, graph, options) → {Kekule.Graph}

Create corresponding graph from a ctab.

Name	Type	Description
`connTab`	Kekule.StructureConnectionTable
`graph`	Kekule.Graph	If not set, a new graph will be created.
`options`	Hash	Options to convert to graph. Can include fields: { nodeClasses: array, only node instanceof those classes will be included in graph. connectorClasses: array, only connector instanceof those classes will be included in graph. bondTypes: array, only bond types in this array will be converted into edge in graph. expandSubStructures: bool, when put nodes and connectors in graph also. Default is true. ignoreBondedHydrogen: Whether bonded hydrogen atom (on bond end) are converted into graph. Default is true. nodeFilter: func(node, allCtabConnectors), returns bool, a custom function, if false returned, this node will be ignored connectorFilter: func(connector, allCtabNodes), returns bool, a custom function, if false returned, this connector will be ignored }

Source:

Original node and connector can be retrieved by vertexOrEdge.getData('object').

(static) molToGraph(mol, graph, options) → {Kekule.Graph}

Create corresponding graph from a molecule ctab.

Name	Type	Description
`mol`	Kekule.StructureFragment
`graph`	Kekule.Graph	If not set, a new graph will be created.
`options`	Hash	Options to convert to graph. Can include fields: { connectorClasses: array, only connector instanceof those classes will be included in graph. bondTypes: array, only bond types in this array will be converted into edge in graph. expandSubStructures: bool, when put nodes and connectors in graph also. Default is true. ignoreBondedHydrogen: Whether bonded hydrogen atom are converted into graph. Default is true. }

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