Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ (MMFF94OutOfPlaneBendingInteraction iactn) |
Initializes a copy of the MMFF94OutOfPlaneBendingInteraction instance iactn. More... | |
None | __init__ (int term_atom1_idx, int ctr_atom_idx, int term_atom2_idx, int oop_atom_idx, float force_const) |
Initializes the MMFF94OutOfPlaneBendingInteraction instance. More... | |
int | getTerminalAtom1Index () |
int | getTerminalAtom2Index () |
int | getCenterAtomIndex () |
int | getOutOfPlaneAtomIndex () |
int | getAtom1Index () |
int | getAtom2Index () |
int | getAtom3Index () |
int | getAtom4Index () |
float | getForceConstant () |
MMFF94OutOfPlaneBendingInteraction | assign (MMFF94OutOfPlaneBendingInteraction iactn) |
Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingInteraction instance iactn. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
Properties | |
objectID = property(getObjectID) | |
termAtom1Index = property(getTerminalAtom1Index) | |
termAtom2Index = property(getTerminalAtom2Index) | |
ctrAtomIndex = property(getCenterAtomIndex) | |
oopAtomIndex = property(getOutOfPlaneAtomIndex) | |
atom1Index = property(getAtom1Index) | |
atom2Index = property(getAtom2Index) | |
atom3Index = property(getAtom3Index) | |
atom4Index = property(getAtom4Index) | |
forceConstant = property(getForceConstant) | |
None CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.__init__ | ( | MMFF94OutOfPlaneBendingInteraction | iactn | ) |
Initializes a copy of the MMFF94OutOfPlaneBendingInteraction instance iactn.
iactn | The MMFF94OutOfPlaneBendingInteraction instance to copy. |
None CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.__init__ | ( | int | term_atom1_idx, |
int | ctr_atom_idx, | ||
int | term_atom2_idx, | ||
int | oop_atom_idx, | ||
float | force_const | ||
) |
Initializes the MMFF94OutOfPlaneBendingInteraction instance.
term_atom1_idx | |
ctr_atom_idx | |
term_atom2_idx | |
oop_atom_idx | |
force_const |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getTerminalAtom1Index | ( | ) |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getTerminalAtom2Index | ( | ) |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getCenterAtomIndex | ( | ) |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getOutOfPlaneAtomIndex | ( | ) |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom1Index | ( | ) |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom2Index | ( | ) |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom3Index | ( | ) |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom4Index | ( | ) |
float CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getForceConstant | ( | ) |
MMFF94OutOfPlaneBendingInteraction CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.assign | ( | MMFF94OutOfPlaneBendingInteraction | iactn | ) |
Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingInteraction instance iactn.
iactn | The MMFF94OutOfPlaneBendingInteraction instance to copy. |
int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python MMFF94OutOfPlaneBendingInteraction 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 MMFF94OutOfPlaneBendingInteraction 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()
.