CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer:

Public Member Functions
None	__init__ ()
	Initializes the MMFF94OutOfPlaneBendingInteractionParameterizer instance.
None	__init__ (MMFF94OutOfPlaneBendingInteractionParameterizer parameterizer)
	Initializes a copy of the MMFF94OutOfPlaneBendingInteractionParameterizer instance parameterizer. More...
None	__init__ (Chem.MolecularGraph molgraph, MMFF94OutOfPlaneBendingInteractionList ia_list, bool strict)
	Initializes the MMFF94OutOfPlaneBendingInteractionParameterizer instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	setFilterFunction (InteractionFilterFunction4 func)
None	setAtomTypeFunction (MMFF94NumericAtomTypeFunction func)
None	setOutOfPlaneBendingParameterTable (MMFF94OutOfPlaneBendingParameterTable table)
None	setAtomTypePropertyTable (MMFF94AtomTypePropertyTable table)
None	setParameterAtomTypeMap (MMFF94PrimaryToParameterAtomTypeMap map)
MMFF94OutOfPlaneBendingInteractionParameterizer	assign (MMFF94OutOfPlaneBendingInteractionParameterizer parameterizer)
	Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingInteractionParameterizer instance parameterizer. More...
None	parameterize (Chem.MolecularGraph molgraph, MMFF94OutOfPlaneBendingInteractionList ia_list, bool strict)

Properties
	objectID = property(getObjectID)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.__init__

(

MMFF94OutOfPlaneBendingInteractionParameterizer

parameterizer

)

Initializes a copy of the MMFF94OutOfPlaneBendingInteractionParameterizer instance parameterizer.

Parameters

parameterizer

The MMFF94OutOfPlaneBendingInteractionParameterizer instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.__init__	(	Chem.MolecularGraph	molgraph,
		MMFF94OutOfPlaneBendingInteractionList	ia_list,
		bool	strict
	)

Initializes the MMFF94OutOfPlaneBendingInteractionParameterizer instance.

Parameters

molgraph
ia_list
strict

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.getObjectID

(

)

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

Different Python MMFF94OutOfPlaneBendingInteractionParameterizer 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 MMFF94OutOfPlaneBendingInteractionParameterizer 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.

setFilterFunction()

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.setFilterFunction

(

InteractionFilterFunction4

func

)

Parameters

func

setAtomTypeFunction()

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.setAtomTypeFunction

(

MMFF94NumericAtomTypeFunction

func

)

Parameters

func

setOutOfPlaneBendingParameterTable()

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.setOutOfPlaneBendingParameterTable

(

MMFF94OutOfPlaneBendingParameterTable

table

)

Parameters

table

setAtomTypePropertyTable()

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.setAtomTypePropertyTable

(

MMFF94AtomTypePropertyTable

table

)

Parameters

table

setParameterAtomTypeMap()

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.setParameterAtomTypeMap

(

MMFF94PrimaryToParameterAtomTypeMap

map

)

Parameters

map

assign()

MMFF94OutOfPlaneBendingInteractionParameterizer CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.assign

(

MMFF94OutOfPlaneBendingInteractionParameterizer

parameterizer

)

Replaces the current state of self with a copy of the state of the MMFF94OutOfPlaneBendingInteractionParameterizer instance parameterizer.

Parameters

parameterizer

The MMFF94OutOfPlaneBendingInteractionParameterizer instance to copy.

Returns

self

parameterize()

None CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer.parameterize	(	Chem.MolecularGraph	molgraph,
		MMFF94OutOfPlaneBendingInteractionList	ia_list,
		bool	strict
	)

Parameters

molgraph
ia_list
strict