Chemical Data Processing Library Python API - Version 1.1.1
Public Member Functions | Properties | List of all members
CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94BondStretchingParameterTable.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 bond_type_idx, int atom1_type, int atom2_type, float force_const, float ref_length)
 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 getBondTypeIndex ()
 
int getAtom1Type ()
 
int getAtom2Type ()
 
float getForceConstant ()
 
float getReferenceLength ()
 
bool __nonzero__ ()
 
bool __bool__ ()
 

Properties

 objectID = property(getObjectID)
 
 bondTypeIndex = property(getBondTypeIndex)
 
 atom1Type = property(getAtom1Type)
 
 atom2Type = property(getAtom2Type)
 
 forceConstant = property(getForceConstant)
 
 referenceLength = property(getReferenceLength)
 

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.__init__ ( Entry  entry)

Initializes a copy of the Entry instance entry.

Parameters
entryThe Entry instance to copy.

◆ __init__() [2/2]

None CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.__init__ ( int  bond_type_idx,
int  atom1_type,
int  atom2_type,
float  force_const,
float  ref_length 
)

Initializes the Entry instance.

Parameters
bond_type_idx
atom1_type
atom2_type
force_const
ref_length

Member Function Documentation

◆ getObjectID()

int CDPL.ForceField.MMFF94BondStretchingParameterTable.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.MMFF94BondStretchingParameterTable.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

◆ getBondTypeIndex()

int CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.getBondTypeIndex ( )
Returns

◆ getAtom1Type()

int CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.getAtom1Type ( )
Returns

◆ getAtom2Type()

int CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.getAtom2Type ( )
Returns

◆ getForceConstant()

float CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.getForceConstant ( )
Returns

◆ getReferenceLength()

float CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.getReferenceLength ( )
Returns

◆ __nonzero__()

bool CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.__nonzero__ ( )
Returns

◆ __bool__()

bool CDPL.ForceField.MMFF94BondStretchingParameterTable.Entry.__bool__ ( )
Returns