Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Properties | List of all members
CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.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 atom_type, float part_bond_chg_inc, float form_chg_adj_factor)
 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 getAtomType ()
 
float getPartialChargeIncrement ()
 
float getFormalChargeAdjustmentFactor ()
 
bool __nonzero__ ()
 
bool __bool__ ()
 

Properties

 objectID = property(getObjectID)
 
 atomType = property(getAtomType)
 
 partialChargeIncrement = property(getPartialChargeIncrement)
 
 formalChargeAdjustmentFactor = property(getFormalChargeAdjustmentFactor)
 

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.__init__ ( Entry  entry)

Initializes a copy of the Entry instance entry.

Parameters
entryThe Entry instance to copy.

◆ __init__() [2/2]

None CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.__init__ ( int  atom_type,
float  part_bond_chg_inc,
float  form_chg_adj_factor 
)

Initializes the Entry instance.

Parameters
atom_type
part_bond_chg_inc
form_chg_adj_factor

Member Function Documentation

◆ getObjectID()

int CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.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.MMFF94PartialBondChargeIncrementTable.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

◆ getAtomType()

int CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.getAtomType ( )
Returns

◆ getPartialChargeIncrement()

float CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.getPartialChargeIncrement ( )
Returns

◆ getFormalChargeAdjustmentFactor()

float CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.getFormalChargeAdjustmentFactor ( )
Returns

◆ __nonzero__()

bool CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.__nonzero__ ( )
Returns

◆ __bool__()

bool CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry.__bool__ ( )
Returns