-
appendLinkedConnector(connector)
-
Link a connector to this node.
Parameters:
- Inherited From:
- Source:
-
compareStructure(targetObj, options) → {Int}
-
Explicit set compare method to chem structure and compare to targetObj.
Parameters:
- Inherited From:
- Source:
Returns:
-
Type
-
Int
-
equalStructure(targetObj, options) → {Bool}
-
Check if this object and targetObj has equivalent chem structure.
Parameters:
- Inherited From:
- Source:
Returns:
-
Type
-
Bool
-
-
Get charge marker of node. If no such a marker currently and canCreate is true, a new marker will be created.
- Inherited From:
- Source:
Returns:
-
Type
-
Kekule.ChemMarker.ChemPropertyMarker
-
-
Get radical marker of node. If no such a marker currently and canCreate is true, a new marker will be created.
- Inherited From:
- Source:
Returns:
-
Type
-
Kekule.ChemMarker.ChemPropertyMarker
-
-
Get connector between this object and another object.
Parameters:
- Inherited From:
- Source:
Returns:
-
Type
-
Kekule.ChemStructureConnector
-
getContainerBox(coordMode, allowCoordBorrow) → {Hash}
-
Calculate the box to contain the object.
Descendants may override this method.
Parameters:
| Name |
Type |
Description |
coordMode |
Int
|
Determine to calculate 2D or 3D box. Value from Kekule.CoordMode. |
allowCoordBorrow |
Bool
|
|
- Inherited From:
- Source:
Returns:
Box information. {x1, y1, z1, x2, y2, z2} (in 2D mode z1 and z2 will not be set).
-
Type
-
Hash
-
getContainerBox2D(allowCoordBorrow) → {Hash}
-
Calculate the 2D box to contain the object.
Parameters:
| Name |
Type |
Description |
allowCoordBorrow |
Bool
|
|
- Inherited From:
- Source:
Returns:
Box information. {x1, y1, z1, x2, y2, z2} (in 2D mode z1 and z2 will not be set).
-
Type
-
Hash
-
getContainerBox3D(allowCoordBorrow) → {Hash}
-
Calculate the 3D box to contain the object.
Parameters:
| Name |
Type |
Description |
allowCoordBorrow |
Bool
|
|
- Inherited From:
- Source:
Returns:
Box information. {x1, y1, z1, x2, y2, z2} (in 2D mode z1 and z2 will not be set).
-
Type
-
Hash
-
-
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.
- Inherited From:
- Source:
Returns:
-
Type
-
Kekule.ChemStructureObject
-
getHydrogenCount(includingBondedHydrogen)
-
Returns hydrogen count linked to this atom.
Same as getExplicitHydrogenCount if includingBondedHydrogen is false.
Parameters:
| Name |
Type |
Description |
includingBondedHydrogen |
Bool
|
If true, hydrogen siblings will also be take into consideration. |
- Inherited From:
- Source:
-
getLinkedBonds(bondType) → {Array}
-
Parameters:
| Name |
Type |
Description |
bondType |
Int
|
|
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
getLinkedChemNodes(ignoreHydrogenAtoms) → {Array}
-
Returns neighbor nodes linked to this node through proper connectors.
Parameters:
| Name |
Type |
Description |
ignoreHydrogenAtoms |
Bool
|
Whether explicit hydrogen atoms are returned. Default is false. |
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
-
Get linked connector object at index.
Parameters:
| Name |
Type |
Description |
index |
Int
|
|
- Inherited From:
- Source:
Returns:
-
Type
-
Kekule.ChemStructureConnector
-
getLinkedConnectorCount() → {Int}
-
Return count of linkedConnectors.
- Inherited From:
- Source:
Returns:
-
Type
-
Int
-
getLinkedDoubleBonds() → {Array}
-
Returns linked double covalent bond to this node.
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
getLinkedHydrogenAtoms() → {Array}
-
Returns linked hydrogen atoms.
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
getLinkedMultipleBonds() → {Array}
-
Returns linked multiple covalent bond to this node.
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
getLinkedNonHydrogenConnectors() → {Array}
-
Returns connectors that connected to a non hydrogen node.
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
getLinkedNonHydrogenObjs() → {Array}
-
Returns linked objects except hydrogen atoms.
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
getLinkedObjsOnConnector() → {Array}
-
Returns other objects connected to this one through connector.
- Inherited From:
- Source:
Returns:
-
Type
-
Array
-
-
- Inherited From:
- Source:
Returns:
-
Type
-
Kekule.StructureFragment
-
-
- Inherited From:
- Source:
Returns:
-
Type
-
Kekule.StructureFragment
-
indexOfLinkedConnector(connector) → {Int}
-
Returns index of connector connected to node.
Parameters:
- Inherited From:
- Source:
Returns:
-
Type
-
Int
-
isHydrogenAtom() → {Bool}
-
Returns whether this node is a H atom (but not D or T).
- Inherited From:
- Source:
Returns:
-
Type
-
Bool
-
isSaturated() → {Bool}
-
Returns whether this atom is a saturated one.
- Inherited From:
- Source:
Returns:
-
Type
-
Bool
-
mayContainElement(atomicNumberOrSymbol) → {Bool}
-
Returns when this node is an atom of certain element or
maybe or may include element (peusdo atom or atom list).
Parameters:
| Name |
Type |
Description |
atomicNumberOrSymbol |
Variant
|
|
- Inherited From:
- Source:
Returns:
-
Type
-
Bool
-
removeLinkedConnector(connector)
-
Remove a connector in linkedContainer.
Parameters:
- Inherited From:
- Source:
-
removeLinkedConnectorAt(index)
-
Remove connector at index of linkedConnectors.
Parameters:
| Name |
Type |
Description |
index |
Int
|
|
- Inherited From:
- Source:
-
removeThisFromLinkedConnector()
-
Remove this node from all linked connectors.
Ths method should be called before a object is removed from a structure.
- Inherited From:
- Source:
-
setHydrogenCount(value)
-
Same as setExplicitHydrogenCount.
Parameters:
| Name |
Type |
Description |
value |
Int
|
|
- Inherited From:
- Source: