BALL::MMFF94ParametersBase Class Reference

#include <BALL/MOLMEC/MMFF94/MMFF94Parameters.h>

Inheritance diagram for BALL::MMFF94ParametersBase:

Public Member Functions
	MMFF94ParametersBase ()
	Default constructor. More...
virtual	~MMFF94ParametersBase ()
	Destructor. More...
const MMFF94ParametersBase &	operator= (const MMFF94ParametersBase &)
	Assignment operator. More...
virtual void	clear ()
	Clear method. More...
bool	isInitialized ()
bool	readParameters (Parameters &p, const String &section) throw (Exception::FileNotFound)
void	setEquivalences (const MMFF94AtomTypeEquivalences &equi)

Protected Member Functions
virtual bool	setup_ (const std::vector< std::vector< String > > &)

Protected Attributes
bool	is_initialized_
Size	number_expected_fields_
const MMFF94AtomTypeEquivalences *	equiv_

Detailed Description

MMFF94 component parameters base class

Definition at line 39 of file MMFF94Parameters.h.

Constructor & Destructor Documentation

BALL::MMFF94ParametersBase::MMFF94ParametersBase

(

)

Default constructor.

virtual BALL::MMFF94ParametersBase::~MMFF94ParametersBase ( )

inlinevirtual

Destructor.

Definition at line 49 of file MMFF94Parameters.h.

Member Function Documentation

virtual void BALL::MMFF94ParametersBase::clear ( )

virtual

Clear method.

Reimplemented in BALL::MMFF94ESParameters, BALL::MMFF94VDWParameters, BALL::MMFF94PlaneParameters, BALL::MMFF94TorsionParameters, BALL::MMFF94StretchBendParameters, BALL::MMFF94BendParameters, BALL::MMFF94StretchParameters, and BALL::MMFF94AtomTypeEquivalences.

bool BALL::MMFF94ParametersBase::isInitialized ( )

inline

Definition at line 60 of file MMFF94Parameters.h.

const MMFF94ParametersBase& BALL::MMFF94ParametersBase::operator= ( const MMFF94ParametersBase &  )

inline

Assignment operator.

Definition at line 52 of file MMFF94Parameters.h.

bool BALL::MMFF94ParametersBase::readParameters	(	Parameters &	p,
		const String &	section
	)
throw	(	Exception::FileNotFound
	)

void BALL::MMFF94ParametersBase::setEquivalences ( const MMFF94AtomTypeEquivalences &  equi )

inline

Definition at line 67 of file MMFF94Parameters.h.

virtual bool BALL::MMFF94ParametersBase::setup_ ( const std::vector< std::vector< String > > &  )

inlineprotectedvirtual

Reimplemented in BALL::MMFF94ESParameters, BALL::MMFF94VDWParameters, BALL::MMFF94PlaneParameters, BALL::MMFF94TorsionParameters, BALL::MMFF94StretchBendParameters, BALL::MMFF94BendParameters, BALL::MMFF94StretchParameters, BALL::MMFF94AtomTypes, and BALL::MMFF94AtomTypeEquivalences.

Definition at line 71 of file MMFF94Parameters.h.

Member Data Documentation

const MMFF94AtomTypeEquivalences* BALL::MMFF94ParametersBase::equiv_

protected

Definition at line 77 of file MMFF94Parameters.h.

bool BALL::MMFF94ParametersBase::is_initialized_

protected

Definition at line 71 of file MMFF94Parameters.h.

Size BALL::MMFF94ParametersBase::number_expected_fields_

protected

Definition at line 76 of file MMFF94Parameters.h.