Class: ChemStructureConnector

ChemStructureConnector

new ChemStructureConnector()

Implements the concept of a connections between two or more structure nodes.
Properties:
Name Type Description
connectedChemNodes Array Nodes connected with this connector.
parity Int Stereo parity of connector.
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Extends

Methods

appendConnectedObj(obj)

Add a object to connectedObjs array. If obj already in connectedObjs, nothing will be done.
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
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appendLinkedConnector(connector)

Link a connector to this node.
Parameters:
Name Type Description
connector Kekule.ChemStructureConnector
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assertConnectedObjLegal(obj) → {Bool}

Check if an obj can be added to connectedObjs array. Generally, an object with same owner of current connector can be added. If not so, a exception will be raised.
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
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Returns:
Type
Bool

clearConnectedObjs()

Clear all connected objects.
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compareStructure(targetObj, options) → {Int}

Explicit set compare method to chem structure and compare to targetObj.
Parameters:
Name Type Description
targetObj Kekule.ChemObject
options Hash
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Returns:
Type
Int

equalStructure(targetObj, options) → {Bool}

Check if this object and targetObj has equivalent chem structure.
Parameters:
Name Type Description
targetObj Kekule.ChemObject
options Hash
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Returns:
Type
Bool

getConnectedChemNodeCount() → {Int}

Get count of connected chem nodes.
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Returns:
Type
Int

getConnectedNonHydrogenObjs() → {Array}

Returns connected objects except hydrogen atoms.
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Returns:
Type
Array

getConnectedObjAt(index) → {Kekule.ChemStructureObject}

Get connectedObj at index.
Parameters:
Name Type Description
index Int
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Returns:
Type
Kekule.ChemStructureObject

getConnectedObjCount() → {Int}

Get count of connected objects.
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Returns:
Type
Int

getConnectedSiblings() → {Array}

Returns connected objects with the same parent of this connector. For example, connector connected to a child node in subgroup, then the subgroup rather than the child node will be returned.
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Returns:
Type
Array

getConnectorTo(obj) → {Kekule.ChemStructureConnector}

Get connector between this object and another object.
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
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Returns:
Type
Kekule.ChemStructureConnector

getCurrConnectableObj() → {Kekule.ChemStructureObject}

Returns self or child object that can directly linked to a connector. For atom or other simple chem objetc, this function should just returns self, for structure fragment, this function need to returns an anchor node.
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Returns:
Type
Kekule.ChemStructureObject

getLinkedConnectorAt(index) → {Kekule.ChemStructureConnector}

Get linked connector object at index.
Parameters:
Name Type Description
index Int
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Returns:
Type
Kekule.ChemStructureConnector

getLinkedConnectorCount() → {Int}

Return count of linkedConnectors.
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Returns:
Type
Int

getLinkedHydrogenAtoms() → {Array}

Returns linked hydrogen atoms.
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Returns:
Type
Array

getLinkedNonHydrogenConnectors() → {Array}

Returns connectors that connected to a non hydrogen node.
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Returns:
Type
Array

getLinkedNonHydrogenObjs() → {Array}

Returns linked objects except hydrogen atoms.
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Returns:
Type
Array

getLinkedObjsOnConnector() → {Array}

Returns other objects connected to this one through connector.
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Returns:
Type
Array

getParentFragment() → {Kekule.StructureFragment}

If Kekule.ChemStructureObject#parent is a Kekule.StructureFragment, returns this fragment.
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Returns:
Type
Kekule.StructureFragment

getRootFragment() → {Kekule.StructureFragment}

Returns the root parent of Kekule.StructureFragment, rather than subgroups.
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Returns:
Type
Kekule.StructureFragment

hasConnectedObj(obj)

Check if a object is connected with this connector.
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
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indexOfConnectedObj(obj) → {Int}

Get index of obj in connectedObjs array.
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
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Returns:
Type
Int

indexOfLinkedConnector(connector) → {Int}

Returns index of connector connected to node.
Parameters:
Name Type Description
connector Kekule.ChemStructureConnector
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Returns:
Type
Int

insertConnectedObjAt(obj, index)

Insert obj at index of connectedObjs array. If index is not set, obj will be put as the first obj.
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
index Int
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isConnectingConnector()

Check if this connector connected to another connector (e.g, bond ends with another bond).
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isConnectingWithObj(obj)

Check if a object is connected with this connector. Same as Kekule.ChemStructureConnector#hasConnectedObj
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
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isNormalConnectorToHydrogen() → {Bool}

Whether this connector connect hydrogen atom to another node.
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Returns:
Type
Bool

removeConnectedObj(obj)

Remove a object in connectedObjs property.
Parameters:
Name Type Description
obj Kekule.ChemStructureObject
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removeConnectedObjAt(index)

Remove object at index in connectedObjs property.
Parameters:
Name Type Description
index Int
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removeLinkedConnector(connector)

Remove a connector in linkedContainer.
Parameters:
Name Type Description
connector Kekule.ChemStructureConnector
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removeLinkedConnectorAt(index)

Remove connector at index of linkedConnectors.
Parameters:
Name Type Description
index Int
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removeThisFromConnectedObjs()

Remove this connector from all linked objects. Ths method should be called before a connector is removed from a structure.
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removeThisFromLinkedConnector()

Remove this node from all linked connectors. Ths method should be called before a object is removed from a structure.
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replaceConnectedObj(oldObj, newObj)

Replace old connected object with new one and remove connection to old object.
Parameters:
Name Type Description
oldObj Kekule.ChemStructureObject
newObj Kekule.ChemStructureObject
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reverseConnectedObjOrder()

Reverse the order of connected object.
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setConnectedObjAt(index, value)

Set connectedObj at index.
Parameters:
Name Type Description
index Int
value Kekule.ChemStructureObject
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sortConnectedObjs(compareFunc)

Sort the array of connected objs.
Parameters:
Name Type Description
compareFunc function
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Events

structureChange

Invoked when object is changed and the change is related with structure (e.g. modify a bond, change a atomic number...). Event has field: {origin: the change source object (may be a child of event.target}.
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