Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Properties | List of all members
CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction:

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)
 

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.__init__ ( MMFF94OutOfPlaneBendingInteraction  iactn)

Initializes a copy of the MMFF94OutOfPlaneBendingInteraction instance iactn.

Parameters
iactnThe MMFF94OutOfPlaneBendingInteraction instance to copy.

◆ __init__() [2/2]

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.

Parameters
term_atom1_idx
ctr_atom_idx
term_atom2_idx
oop_atom_idx
force_const

Member Function Documentation

◆ getTerminalAtom1Index()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getTerminalAtom1Index ( )
Returns

◆ getTerminalAtom2Index()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getTerminalAtom2Index ( )
Returns

◆ getCenterAtomIndex()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getCenterAtomIndex ( )
Returns

◆ getOutOfPlaneAtomIndex()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getOutOfPlaneAtomIndex ( )
Returns

◆ getAtom1Index()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom1Index ( )
Returns

◆ getAtom2Index()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom2Index ( )
Returns

◆ getAtom3Index()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom3Index ( )
Returns

◆ getAtom4Index()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getAtom4Index ( )
Returns

◆ getForceConstant()

float CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.getForceConstant ( )
Returns

◆ assign()

MMFF94OutOfPlaneBendingInteraction CDPL.ForceField.MMFF94OutOfPlaneBendingInteraction.assign ( MMFF94OutOfPlaneBendingInteraction  iactn)

Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingInteraction instance iactn.

Parameters
iactnThe MMFF94OutOfPlaneBendingInteraction instance to copy.
Returns
self

◆ getObjectID()

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().

Returns
The numeric ID of the internally referenced C++ class instance.