CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer Class Reference

Inheritance diagram for CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer:

Public Member Functions
None	__init__ ()
	Initializes the MMFF94BondStretchingInteractionParameterizer instance.
None	__init__ (MMFF94BondStretchingInteractionParameterizer parameterizer)
	Initializes a copy of the MMFF94BondStretchingInteractionParameterizer instance parameterizer. More...
None	__init__ (Chem.MolecularGraph molgraph, MMFF94BondStretchingInteractionList ia_list, bool strict)
	Initializes the MMFF94BondStretchingInteractionParameterizer instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	setFilterFunction (InteractionFilterFunction2 func)
None	setAtomTypeFunction (MMFF94NumericAtomTypeFunction func)
None	setBondTypeIndexFunction (MMFF94BondTypeIndexFunction func)
None	setAromaticRingSetFunction (MMFF94RingSetFunction func)
None	setBondStretchingParameterTable (MMFF94BondStretchingParameterTable table)
None	setBondStretchingRuleParameterTable (MMFF94BondStretchingRuleParameterTable table)
None	setAtomTypePropertyTable (MMFF94AtomTypePropertyTable table)
MMFF94BondStretchingInteractionParameterizer	assign (MMFF94BondStretchingInteractionParameterizer parameterizer)
	Replaces the current state of self with a copy of the state of the MMFF94BondStretchingInteractionParameterizer instance parameterizer. More...
None	parameterize (Chem.MolecularGraph molgraph, MMFF94BondStretchingInteractionList ia_list, bool strict)

Properties
	objectID = property(getObjectID)

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.__init__

(

MMFF94BondStretchingInteractionParameterizer

parameterizer

)

Initializes a copy of the MMFF94BondStretchingInteractionParameterizer instance parameterizer.

Parameters

parameterizer

The MMFF94BondStretchingInteractionParameterizer instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.__init__	(	Chem.MolecularGraph	molgraph,
		MMFF94BondStretchingInteractionList	ia_list,
		bool	strict
	)

Initializes the MMFF94BondStretchingInteractionParameterizer instance.

Parameters

molgraph
ia_list
strict

Member Function Documentation

getObjectID()

int CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.getObjectID

(

)

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

Different Python MMFF94BondStretchingInteractionParameterizer 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 MMFF94BondStretchingInteractionParameterizer 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.MMFF94BondStretchingInteractionParameterizer.setFilterFunction

(

InteractionFilterFunction2

func

)

Parameters

func

setAtomTypeFunction()

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.setAtomTypeFunction

(

MMFF94NumericAtomTypeFunction

func

)

Parameters

func

setBondTypeIndexFunction()

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.setBondTypeIndexFunction

(

MMFF94BondTypeIndexFunction

func

)

Parameters

func

setAromaticRingSetFunction()

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.setAromaticRingSetFunction

(

MMFF94RingSetFunction

func

)

Parameters

func

setBondStretchingParameterTable()

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.setBondStretchingParameterTable

(

MMFF94BondStretchingParameterTable

table

)

Parameters

table

setBondStretchingRuleParameterTable()

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.setBondStretchingRuleParameterTable

(

MMFF94BondStretchingRuleParameterTable

table

)

Parameters

table

setAtomTypePropertyTable()

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.setAtomTypePropertyTable

(

MMFF94AtomTypePropertyTable

table

)

Parameters

table

assign()

MMFF94BondStretchingInteractionParameterizer CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.assign

(

MMFF94BondStretchingInteractionParameterizer

parameterizer

)

Replaces the current state of self with a copy of the state of the MMFF94BondStretchingInteractionParameterizer instance parameterizer.

Parameters

parameterizer

The MMFF94BondStretchingInteractionParameterizer instance to copy.

Returns

self

parameterize()

None CDPL.ForceField.MMFF94BondStretchingInteractionParameterizer.parameterize	(	Chem.MolecularGraph	molgraph,
		MMFF94BondStretchingInteractionList	ia_list,
		bool	strict
	)

Parameters

molgraph
ia_list
strict