Chemical Data Processing Library Python API - Version 1.1.1
Classes | Public Member Functions | Static Public Member Functions | Properties | List of all members
CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable:

Classes

class  Entry
 

Public Member Functions

None __init__ ()
 Initializes the MMFF94OutOfPlaneBendingParameterTable instance.
 
None __init__ (MMFF94OutOfPlaneBendingParameterTable table)
 Initializes a copy of the MMFF94OutOfPlaneBendingParameterTable instance table. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
None addEntry (int term_atom1_type, int ctr_atom_type, int term_atom2_type, int oop_atom_type, float force_const)
 
bool removeEntry (int term_atom1_type, int ctr_atom_type, int term_atom2_type, int oop_atom_type)
 
Entry getEntry (int term_atom1_type, int ctr_atom_type, int term_atom2_type, int oop_atom_type)
 
None clear ()
 
int getNumEntries ()
 
list getEntries ()
 
None load (Base.IStream is)
 
None loadDefaults (int param_set)
 
MMFF94OutOfPlaneBendingParameterTable assign (MMFF94OutOfPlaneBendingParameterTable table)
 Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingParameterTable instance table. More...
 

Static Public Member Functions

None set (MMFF94OutOfPlaneBendingParameterTable table, int param_set)
 
MMFF94OutOfPlaneBendingParameterTable get (int param_set)
 

Properties

 objectID = property(getObjectID)
 
 numEntries = property(getNumEntries)
 
 entries = property(getEntries)
 

Constructor & Destructor Documentation

◆ __init__()

None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.__init__ ( MMFF94OutOfPlaneBendingParameterTable  table)

Initializes a copy of the MMFF94OutOfPlaneBendingParameterTable instance table.

Parameters
tableThe MMFF94OutOfPlaneBendingParameterTable instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getObjectID ( )

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

Different Python MMFF94OutOfPlaneBendingParameterTable 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 MMFF94OutOfPlaneBendingParameterTable 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.

◆ addEntry()

None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.addEntry ( int  term_atom1_type,
int  ctr_atom_type,
int  term_atom2_type,
int  oop_atom_type,
float  force_const 
)
Parameters
term_atom1_type
ctr_atom_type
term_atom2_type
oop_atom_type
force_const

◆ removeEntry()

bool CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.removeEntry ( int  term_atom1_type,
int  ctr_atom_type,
int  term_atom2_type,
int  oop_atom_type 
)
Parameters
term_atom1_type
ctr_atom_type
term_atom2_type
oop_atom_type
Returns

◆ getEntry()

Entry CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getEntry ( int  term_atom1_type,
int  ctr_atom_type,
int  term_atom2_type,
int  oop_atom_type 
)
Parameters
term_atom1_type
ctr_atom_type
term_atom2_type
oop_atom_type
Returns

◆ getNumEntries()

int CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getNumEntries ( )
Returns

◆ getEntries()

list CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.getEntries ( )
Returns

◆ load()

None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.load ( Base.IStream  is)
Parameters
is

◆ loadDefaults()

None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.loadDefaults ( int  param_set)
Parameters
param_set

◆ assign()

MMFF94OutOfPlaneBendingParameterTable CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.assign ( MMFF94OutOfPlaneBendingParameterTable  table)

Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingParameterTable instance table.

Parameters
tableThe MMFF94OutOfPlaneBendingParameterTable instance to copy.
Returns
self

◆ set()

None CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.set ( MMFF94OutOfPlaneBendingParameterTable  table,
int  param_set 
)
static
Parameters
table
param_set

◆ get()

MMFF94OutOfPlaneBendingParameterTable CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.get ( int  param_set)
static
Parameters
param_set
Returns