new MoleculeGroup()
A group of molecule.
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Extends
Methods
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appendChild(obj) → {Int}
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Append obj to children list. If obj already inside, nothing will be done.
Parameters:
Name Type Description obj
Object - Inherited From:
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Returns:
Index of obj after appending.- Type
- Int
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appendItem(item)
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Append an attrib-object pair item in group.
Parameters:
Name Type Description item
Hash - Inherited From:
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appendLinkedConnector(connector)
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Link a connector to this node.
Parameters:
Name Type Description connector
Kekule.ChemStructureConnector - Inherited From:
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appendObj(obj, attributes)
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Add object to group. If object already in group, nothing will be done.
Parameters:
Name Type Description obj
Kekule.ChemStructureObject attributes
Hash Additional attributes of this object. Can be null. - Inherited From:
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clearStructureFlags()
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Clear all flags of structure object that should be changed when structure is changed. Descendants may override this method.
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compareStructure(targetObj, options) → {Int}
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Explicit set compare method to chem structure and compare to targetObj.
Parameters:
Name Type Description targetObj
Kekule.ChemObject options
Hash - Inherited From:
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Returns:
- Type
- Int
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equalStructure(targetObj, options) → {Bool}
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Check if this object and targetObj has equivalent chem structure.
Parameters:
Name Type Description targetObj
Kekule.ChemObject options
Hash - Inherited From:
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Returns:
- Type
- Bool
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getAllObjs() → {Array}
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Returns an array containing the child objects (without attribute).
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Returns:
- Type
- Array
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getChildAt(index) → {Variant}
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Get child object at index.
Parameters:
Name Type Description index
Int - Inherited From:
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Returns:
- Type
- Variant
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getChildCount() → {Int}
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Get count of child objects in root.
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Returns:
- Type
- Int
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getConnectorTo(obj) → {Kekule.ChemStructureConnector}
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Get connector between this object and another object.
Parameters:
Name Type Description obj
Kekule.ChemStructureObject - Inherited From:
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Returns:
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getCurrConnectableObj() → {Kekule.ChemStructureObject}
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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:
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getItemAt(index) → {Object}
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Get item at index of items array.
Parameters:
Name Type Description index
Int - Inherited From:
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Returns:
- Type
- Object
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getItemCount() → {Int}
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Get count of items in group.
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Returns:
- Type
- Int
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getLinkedConnectorAt(index) → {Kekule.ChemStructureConnector}
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Get linked connector object at index.
Parameters:
Name Type Description index
Int - Inherited From:
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Returns:
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getLinkedConnectorCount() → {Int}
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Return count of linkedConnectors.
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Returns:
- Type
- Int
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getLinkedHydrogenAtoms() → {Array}
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Returns linked hydrogen atoms.
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Returns:
- Type
- Array
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getLinkedNonHydrogenConnectors() → {Array}
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Returns connectors that connected to a non hydrogen node.
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Returns:
- Type
- Array
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getLinkedNonHydrogenObjs() → {Array}
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Returns linked objects except hydrogen atoms.
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Returns:
- Type
- Array
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getLinkedObjsOnConnector() → {Array}
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Returns other objects connected to this one through connector.
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Returns:
- Type
- Array
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getNextSiblingOfChild(child) → {Hash}
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Returns next sibling item to child item or object.
Parameters:
Name Type Description child
Variant Item or object. - Inherited From:
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Returns:
- Type
- Hash
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getObjAt(index) → {Object}
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Get object stored in item at index.
Parameters:
Name Type Description index
Int - Inherited From:
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Returns:
- Type
- Object
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getParentFragment() → {Kekule.StructureFragment}
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If Kekule.ChemStructureObject#parent is a Kekule.StructureFragment, returns this fragment.
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Returns:
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getRootFragment() → {Kekule.StructureFragment}
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Returns the root parent of Kekule.StructureFragment, rather than subgroups.
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Returns:
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hasObj(obj) → {Bool}
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Check if obj exists in items.
Parameters:
Name Type Description obj
Object - Inherited From:
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Returns:
- Type
- Bool
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indexOfChild(obj) → {Int}
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Get the index of obj (object or object-attribute item) in children list of root.
Parameters:
Name Type Description obj
Variant - Inherited From:
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Returns:
Index of obj or -1 when not found.- Type
- Int
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indexOfItem(item) → {Int}
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Get index of item in items array.
Parameters:
Name Type Description item
Object - Inherited From:
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Returns:
Index of item in array. If not found, returns -1.- Type
- Int
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indexOfLinkedConnector(connector) → {Int}
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Returns index of connector connected to node.
Parameters:
Name Type Description connector
Kekule.ChemStructureConnector - Inherited From:
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Returns:
- Type
- Int
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indexOfObj(obj) → {Int}
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Get index of obj in items array.
Parameters:
Name Type Description obj
Object - Inherited From:
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Returns:
Index of object in array. If not found, returns -1.- Type
- Int
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insertBefore(item, refItem)
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Insert attrib-object pair item before refChild in group. If refChild is null or does not exists, item will be append to tail of list.
Parameters:
Name Type Description item
Hash refItem
Hash - Inherited From:
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insertChild(obj, index) → {Int}
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Insert obj to index of children list. If obj already inside, its position will be changed.
Parameters:
Name Type Description obj
Object index
Object - Inherited From:
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Returns:
Index of obj after inserting.- Type
- Int
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insertItem(item, index)
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Insert an attrib-object pair item in group at index.
Parameters:
Name Type Description item
Hash index
Int - Inherited From:
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insertObj(item, index, attributes)
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Insert an attrib-object pair item in group at index.
Parameters:
Name Type Description item
Hash index
Int attributes
Hash Additional attributes of this object. Can be null. - Inherited From:
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notifyItemsChanged()
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Notify Kekule.ChemStructureObjectGroup#objs property has been changed
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removeChild(obj)
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Remove an object or attrib-object pair item from group.
Parameters:
Name Type Description obj
Variant - Inherited From:
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removeChildAt(index) → {Variant}
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Remove a child at index.
Parameters:
Name Type Description index
Int - Inherited From:
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Returns:
Child object removed.- Type
- Variant
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removeItem(obj)
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Remove an attrib-object pair item in group.
Parameters:
Name Type Description obj
Kekule.ChemStructureObject - Inherited From:
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removeItemAt(index)
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Remove an attrib-object pair item at index in group.
Parameters:
Name Type Description index
Int - Inherited From:
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removeLinkedConnector(connector)
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Remove a connector in linkedContainer.
Parameters:
Name Type Description connector
Kekule.ChemStructureConnector - Inherited From:
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removeLinkedConnectorAt(index)
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Remove connector at index of linkedConnectors.
Parameters:
Name Type Description index
Int - Inherited From:
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removeObj(obj)
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Remove an object in group.
Parameters:
Name Type Description obj
Kekule.ChemStructureObject - Inherited From:
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removeObjAt(index)
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Remove object at index in group.
Parameters:
Name Type Description index
Int - Inherited From:
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removeThisFromLinkedConnector()
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Remove this node from all linked connectors. Ths method should be called before a object is removed from a structure.
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setAttributesAt(index, attributes)
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Set additional fields of item at index.
Parameters:
Name Type Description index
Object attributes
Object - Inherited From:
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Events
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structureChange
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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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