MMFF94ParametersBase Class Reference
[MMFF94 Force Field.]

MMFF94 component parameters base class. More...

#include <MMFF94Parameters.h>

Inheritance diagram for MMFF94ParametersBase:

List of all members.

Public Member Functions
	MMFF94ParametersBase ()
	Default constructor.
virtual	~MMFF94ParametersBase ()
	Destructor.
const MMFF94ParametersBase &	operator= (const MMFF94ParametersBase &) throw ()
	Assignment operator.
virtual void	clear () throw ()
	Clear method.
bool	isInitialized ()
bool	readParameters (const String &filename) throw (Exception::FileNotFound)
void	setEquivalences (const MMFF94AtomTypeEquivalences &equi)
Protected Member Functions
virtual bool	setup_ (const vector< vector< String > > &)
Protected Attributes
bool	is_initialized_
Size	number_expected_fields_
const MMFF94AtomTypeEquivalences *	equiv_

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Detailed Description

MMFF94 component parameters base class.