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

table

The 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

table

The 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

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Returns