Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Properties | List of all members
CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry:

Public Member Functions

None __init__ ()
 Initializes the Entry instance.
 
None __init__ (Entry entry)
 Initializes a copy of the Entry instance entry. More...
 
None __init__ (int term_atom1_pte_row, int ctr_atom_pte_row, int term_atom2_pte_row, float ijk_force_const, float kji_force_const)
 Initializes the Entry instance. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
Entry assign (Entry entry)
 Replaces the current state of self with a copy of the state of the Entry instance entry. More...
 
int getTerminalAtom1PTERow ()
 
int getCenterAtomPTERow ()
 
int getTerminalAtom2PTERow ()
 
float getIJKForceConstant ()
 
float getKJIForceConstant ()
 
bool __nonzero__ ()
 
bool __bool__ ()
 

Properties

 objectID = property(getObjectID)
 
 termAtom1PTERow = property(getTerminalAtom1PTERow)
 
 ctrAtomPTERow = property(getCenterAtomPTERow)
 
 termAtom2PTERow = property(getTerminalAtom2PTERow)
 
 ijkForceConstant = property(getIJKForceConstant)
 
 kjiForceConstant = property(getKJIForceConstant)
 

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.__init__ ( Entry  entry)

Initializes a copy of the Entry instance entry.

Parameters
entryThe Entry instance to copy.

◆ __init__() [2/2]

None CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.__init__ ( int  term_atom1_pte_row,
int  ctr_atom_pte_row,
int  term_atom2_pte_row,
float  ijk_force_const,
float  kji_force_const 
)

Initializes the Entry instance.

Parameters
term_atom1_pte_row
ctr_atom_pte_row
term_atom2_pte_row
ijk_force_const
kji_force_const

Member Function Documentation

◆ getObjectID()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getObjectID ( )

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python Entry 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 Entry 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.

◆ assign()

Entry CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.assign ( Entry  entry)

Replaces the current state of self with a copy of the state of the Entry instance entry.

Parameters
entryThe Entry instance to copy.
Returns
self

◆ getTerminalAtom1PTERow()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getTerminalAtom1PTERow ( )
Returns

◆ getCenterAtomPTERow()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getCenterAtomPTERow ( )
Returns

◆ getTerminalAtom2PTERow()

int CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getTerminalAtom2PTERow ( )
Returns

◆ getIJKForceConstant()

float CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getIJKForceConstant ( )
Returns

◆ getKJIForceConstant()

float CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.getKJIForceConstant ( )
Returns

◆ __nonzero__()

bool CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.__nonzero__ ( )
Returns

◆ __bool__()

bool CDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry.__bool__ ( )
Returns