CDPL.ForceField.MMFF94AtomChargeFunction Class Reference

Generic wrapper class used to store a user-defined MMFF94 partial atom charge retrieval function. More...

Inheritance diagram for CDPL.ForceField.MMFF94AtomChargeFunction:

Public Member Functions
None	__init__ ()
	Contructs the MMFF94AtomChargeFunction instance.
None	__init__ (MMFF94AtomChargeFunction func)
	Contructs a copy of the MMFF94AtomChargeFunction instance func. More...
None	__init__ (object callable)
	Contructs the MMFF94AtomChargeFunction instance for the specified callable object. More...
float	__call__ (Chem.Atom arg1)
	Invokes the wrapped callable object with the given argument. More...
bool	__bool__ ()
	Tells whether the instance holds a callable object. More...
bool	__nonzero__ ()
	Tells whether the instance holds a callable object. More...

Detailed Description

Generic wrapper class used to store a user-defined MMFF94 partial atom charge retrieval function.

See also

[MMFF94]

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94AtomChargeFunction.__init__

(

MMFF94AtomChargeFunction

func

)

Contructs a copy of the MMFF94AtomChargeFunction instance func.

Parameters

func	The MMFF94AtomChargeFunction instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94AtomChargeFunction.__init__

(

object

callable

)

Contructs the MMFF94AtomChargeFunction instance for the specified callable object.

Parameters

callable

The callable object to wrap.

Member Function Documentation

__call__()

float CDPL.ForceField.MMFF94AtomChargeFunction.__call__

(

Chem.Atom

arg1

)

Invokes the wrapped callable object with the given argument.

Parameters

arg1	The argument to forward.

Returns

The obtained return value.

__bool__()

bool CDPL.ForceField.MMFF94AtomChargeFunction.__bool__

(

)

Tells whether the instance holds a callable object.

Returns

True if the instance holds a callable object, and False otherwise.

__nonzero__()

bool CDPL.ForceField.MMFF94AtomChargeFunction.__nonzero__

(

)

Tells whether the instance holds a callable object.

Returns

True if the instance holds a callable object, and False otherwise.