CDPL.ForceField.MMFF94BondChargeIncrementTable Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94BondChargeIncrementTable:

Classes
class	Entry

Public Member Functions
None	__init__ ()
	Initializes the MMFF94BondChargeIncrementTable instance.
None	__init__ (MMFF94BondChargeIncrementTable table)
	Initializes a copy of the MMFF94BondChargeIncrementTable instance table. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	addEntry (int bond_type_idx, int atom1_type, int atom2_type, float bond_chg_inc)
bool	removeEntry (int bond_type_idx, int atom1_type, int atom2_type)
Entry	getEntry (int arg2, int self, int atom_type)
None	clear ()
int	getNumEntries ()
list	getEntries ()
None	load (Base.IStream is)
None	loadDefaults ()
MMFF94BondChargeIncrementTable	assign (MMFF94BondChargeIncrementTable table)
	Replaces the current state of self with a copy of the state of the MMFF94BondChargeIncrementTable instance table. More...

Static Public Member Functions
None	set (MMFF94BondChargeIncrementTable table)
MMFF94BondChargeIncrementTable	get ()

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

Constructor & Destructor Documentation

__init__()

None CDPL.ForceField.MMFF94BondChargeIncrementTable.__init__

(

MMFF94BondChargeIncrementTable

table

)

Initializes a copy of the MMFF94BondChargeIncrementTable instance table.

Parameters

table

The MMFF94BondChargeIncrementTable instance to copy.

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94BondChargeIncrementTable.getObjectID

(

)

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

Different Python MMFF94BondChargeIncrementTable 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 MMFF94BondChargeIncrementTable 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.MMFF94BondChargeIncrementTable.addEntry	(	int	bond_type_idx,
		int	atom1_type,
		int	atom2_type,
		float	bond_chg_inc
	)

Parameters

bond_type_idx
atom1_type
atom2_type
bond_chg_inc

removeEntry()

bool CDPL.ForceField.MMFF94BondChargeIncrementTable.removeEntry	(	int	bond_type_idx,
		int	atom1_type,
		int	atom2_type
	)

Parameters

bond_type_idx
atom1_type
atom2_type

Returns

getEntry()

Entry CDPL.ForceField.MMFF94BondChargeIncrementTable.getEntry	(	int	arg2,
		int	self,
		int	atom_type
	)

Parameters

arg1
arg2
atom_type

Returns

getNumEntries()

int CDPL.ForceField.MMFF94BondChargeIncrementTable.getNumEntries

(

)

Returns

getEntries()

list CDPL.ForceField.MMFF94BondChargeIncrementTable.getEntries

(

)

Returns

load()

None CDPL.ForceField.MMFF94BondChargeIncrementTable.load

(

Base.IStream

is

)

Parameters

is

assign()

MMFF94BondChargeIncrementTable CDPL.ForceField.MMFF94BondChargeIncrementTable.assign

(

MMFF94BondChargeIncrementTable

table

)

Replaces the current state of self with a copy of the state of the MMFF94BondChargeIncrementTable instance table.

Parameters

table

The MMFF94BondChargeIncrementTable instance to copy.

Returns

self

set()

None CDPL.ForceField.MMFF94BondChargeIncrementTable.set ( MMFF94BondChargeIncrementTable  table )

static

Parameters

table

get()

MMFF94BondChargeIncrementTable CDPL.ForceField.MMFF94BondChargeIncrementTable.get ( )

static

Parameters

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Returns