BALL::MMFF94ParametersBase Class Reference
[MMFF94 Force Field.]

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

Inheritance diagram for BALL::MMFF94ParametersBase:

List of all members.

Public Member Functions
	MMFF94ParametersBase ()
	Default constructor.
virtual	~MMFF94ParametersBase ()
	Destructor.
const MMFF94ParametersBase &	operator= (const MMFF94ParametersBase &)
	Assignment operator.
virtual void	clear ()
	Clear method.
bool	isInitialized ()
bool	readParameters (Parameters &p, const String &section) 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_

---

Detailed Description

MMFF94 component parameters base class

---

Constructor & Destructor Documentation

BALL::MMFF94ParametersBase::MMFF94ParametersBase

(

)

Default constructor.

virtual BALL::MMFF94ParametersBase::~MMFF94ParametersBase

(

)

[inline, virtual]

Destructor.

---

Member Function Documentation

virtual void BALL::MMFF94ParametersBase::clear

(

)

[virtual]

Clear method.

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

bool BALL::MMFF94ParametersBase::isInitialized

(

)

[inline]

const MMFF94ParametersBase& BALL::MMFF94ParametersBase::operator=

(

const MMFF94ParametersBase &

)

[inline]

Assignment operator.

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

void BALL::MMFF94ParametersBase::setEquivalences

(

const MMFF94AtomTypeEquivalences &

equi

)

[inline]

virtual bool BALL::MMFF94ParametersBase::setup_

(

const vector< vector< String > > &

)

[inline, protected, virtual]

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

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Member Data Documentation

const MMFF94AtomTypeEquivalences* BALL::MMFF94ParametersBase::equiv_ [protected]

bool BALL::MMFF94ParametersBase::is_initialized_ [protected]

Size BALL::MMFF94ParametersBase::number_expected_fields_ [protected]