Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ () |
Initializes the BondOrderChange instance. | |
None | __init__ (BondOrderChange bond_chg) |
Initializes a copy of the BondOrderChange instance bond_chg. More... | |
BondOrderChange | assign (BondOrderChange bond_chg) |
Replaces the current state of self with a copy of the state of the BondOrderChange instance bond_chg. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
int | getAtom1ID () |
None | setAtom1ID (int id) |
int | getAtom2ID () |
None | setAtom2ID (int id) |
int | getOrderChange () |
None | setOrderChange (int value) |
Properties | |
objectID = property(getObjectID) | |
atom1ID = property(getAtom1ID) | |
atom2ID = property(getAtom2ID) | |
orderChange = property(getOrderChange) | |
None CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.__init__ | ( | BondOrderChange | bond_chg | ) |
Initializes a copy of the BondOrderChange instance bond_chg.
bond_chg | The BondOrderChange instance to copy. |
BondOrderChange CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.assign | ( | BondOrderChange | bond_chg | ) |
Replaces the current state of self with a copy of the state of the BondOrderChange instance bond_chg.
bond_chg | The BondOrderChange instance to copy. |
int CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python BondOrderChange instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b
thus cannot tell reliably whether the two BondOrderChange instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID()
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int CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.getAtom1ID | ( | ) |
None CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.setAtom1ID | ( | int | id | ) |
id |
int CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.getAtom2ID | ( | ) |
None CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.setAtom2ID | ( | int | id | ) |
id |
int CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.getOrderChange | ( | ) |
None CDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange.setOrderChange | ( | int | value | ) |
value |