BALL::MMFF94PlaneParameters Class Reference
[MMFF94 Force Field.]

MMFF94 parameters for out of plane bending (see MMFFOOR.PAR). More...

#include <MMFF94Parameters.h>

Inheritance diagram for BALL::MMFF94PlaneParameters:

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List of all members.

Public Types
typedef HashMap< String, double >	PlaneMap
	Map with the force constant.
Public Member Functions
	MMFF94PlaneParameters ()
	Default constructor.
virtual	~MMFF94PlaneParameters ()
	Destructor.
const MMFF94PlaneParameters &	operator= (const MMFF94PlaneParameters &param)
	Assignment operator.
virtual void	clear ()
	Clear method.
bool	assignParameters (Index at1, Index at2, Index at3, Index at4, double &v) const
Protected Member Functions
virtual bool	setup_ (const vector< vector< String > > &)
String	getIndex_ (Position atom_type1, Position atom_type2, Position atom_type3, Position atom_type4) const
Protected Attributes
PlaneMap	parameters_
	parameters
PlaneMap	buffered_parameters_

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Detailed Description

MMFF94 parameters for out of plane bending (see MMFFOOR.PAR).