CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable:

Classes
class	Entry

Public Member Functions
None	__init__ ()
	Initializes the MMFF94FormalAtomChargeDefinitionTable instance.
None	__init__ (MMFF94FormalAtomChargeDefinitionTable table)
	Initializes a copy of the MMFF94FormalAtomChargeDefinitionTable instance table. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addEntry (str atom_type, int ass_mode, float charge, str type_list)
bool	removeEntry (str atom_type)
Entry	getEntry (str atom_type)
None	clear ()
int	getNumEntries ()
list	getEntries ()
None	load (Base.IStream is)
None	loadDefaults ()
MMFF94FormalAtomChargeDefinitionTable	assign (MMFF94FormalAtomChargeDefinitionTable table)
	Replaces the current state of self with a copy of the state of the MMFF94FormalAtomChargeDefinitionTable instance table. More...

Static Public Member Functions
None	set (MMFF94FormalAtomChargeDefinitionTable table)
MMFF94FormalAtomChargeDefinitionTable	get ()

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

Constructor & Destructor Documentation

__init__()

None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.__init__

(

MMFF94FormalAtomChargeDefinitionTable

table

)

Initializes a copy of the MMFF94FormalAtomChargeDefinitionTable instance table.

Parameters

table

The MMFF94FormalAtomChargeDefinitionTable instance to copy.

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getObjectID

(

)

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

Different Python MMFF94FormalAtomChargeDefinitionTable 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 MMFF94FormalAtomChargeDefinitionTable 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.MMFF94FormalAtomChargeDefinitionTable.addEntry	(	str	atom_type,
		int	ass_mode,
		float	charge,
		str	type_list
	)

Parameters

atom_type
ass_mode
charge
type_list

removeEntry()

bool CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.removeEntry

(

str

atom_type

)

Parameters

atom_type

Returns

getEntry()

Entry CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getEntry

(

str

atom_type

)

Parameters

atom_type

Returns

getNumEntries()

int CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getNumEntries

(

)

Returns

getEntries()

list CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.getEntries

(

)

Returns

load()

None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.load

(

Base.IStream

is

)

Parameters

is

assign()

MMFF94FormalAtomChargeDefinitionTable CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.assign

(

MMFF94FormalAtomChargeDefinitionTable

table

)

Replaces the current state of self with a copy of the state of the MMFF94FormalAtomChargeDefinitionTable instance table.

Parameters

table

The MMFF94FormalAtomChargeDefinitionTable instance to copy.

Returns

self

set()

None CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.set ( MMFF94FormalAtomChargeDefinitionTable  table )

static

Parameters

table

get()

MMFF94FormalAtomChargeDefinitionTable CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.get ( )

static

Parameters

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Returns