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.MMFF94PartialBondChargeIncrementTable Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94PartialBondChargeIncrementTable:

Classes

class  Entry
 

Public Member Functions

None __init__ ()
 Initializes the MMFF94PartialBondChargeIncrementTable instance.
 
None __init__ (MMFF94PartialBondChargeIncrementTable table)
 Initializes a copy of the MMFF94PartialBondChargeIncrementTable instance table. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
None addEntry (int atom_type, float part_bond_chg_inc, float form_chg_adj_factor)
 
bool removeEntry (int atom_type)
 
Entry getEntry (int atom_type)
 
None clear ()
 
int getNumEntries ()
 
list getEntries ()
 
None load (Base.IStream is)
 
None loadDefaults ()
 
MMFF94PartialBondChargeIncrementTable assign (MMFF94PartialBondChargeIncrementTable table)
 Replaces the current state of self with a copy of the state of the MMFF94PartialBondChargeIncrementTable instance table. More...
 

Static Public Member Functions

None set (MMFF94PartialBondChargeIncrementTable table)
 
MMFF94PartialBondChargeIncrementTable get ()
 

Properties

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

Constructor & Destructor Documentation

◆ __init__()

None CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.__init__ ( MMFF94PartialBondChargeIncrementTable  table)

Initializes a copy of the MMFF94PartialBondChargeIncrementTable instance table.

Parameters
tableThe MMFF94PartialBondChargeIncrementTable instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.getObjectID ( )

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

Different Python MMFF94PartialBondChargeIncrementTable 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 MMFF94PartialBondChargeIncrementTable 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.MMFF94PartialBondChargeIncrementTable.addEntry ( int  atom_type,
float  part_bond_chg_inc,
float  form_chg_adj_factor 
)
Parameters
atom_type
part_bond_chg_inc
form_chg_adj_factor

◆ removeEntry()

bool CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.removeEntry ( int  atom_type)
Parameters
atom_type
Returns

◆ getEntry()

Entry CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.getEntry ( int  atom_type)
Parameters
atom_type
Returns

◆ getNumEntries()

int CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.getNumEntries ( )
Returns

◆ getEntries()

list CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.getEntries ( )
Returns

◆ load()

None CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.load ( Base.IStream  is)
Parameters
is

◆ assign()

MMFF94PartialBondChargeIncrementTable CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.assign ( MMFF94PartialBondChargeIncrementTable  table)

Replaces the current state of self with a copy of the state of the MMFF94PartialBondChargeIncrementTable instance table.

Parameters
tableThe MMFF94PartialBondChargeIncrementTable instance to copy.
Returns
self

◆ set()

None CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.set ( MMFF94PartialBondChargeIncrementTable  table)
static
Parameters
table

◆ get()

MMFF94PartialBondChargeIncrementTable CDPL.ForceField.MMFF94PartialBondChargeIncrementTable.get ( )
static
Parameters
<br>
Returns