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

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

Inheritance diagram for BALL::MMFF94ParametersBase:
BALL::MMFF94AtomTypeEquivalences BALL::MMFF94AtomTypes BALL::MMFF94BendParameters BALL::MMFF94ESParameters BALL::MMFF94PlaneParameters BALL::MMFF94StretchBendParameters BALL::MMFF94StretchParameters BALL::MMFF94TorsionParameters BALL::MMFF94VDWParameters

List of all members.


Public Member Functions

 MMFF94ParametersBase ()
 

Default constructor.


virtual ~MMFF94ParametersBase ()
 

Destructor.


const MMFF94ParametersBaseoperator= (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 MMFF94AtomTypeEquivalencesequiv_

Detailed Description

MMFF94 component parameters base class

Definition at line 41 of file MMFF94Parameters.h.


Constructor & Destructor Documentation

BALL::MMFF94ParametersBase::MMFF94ParametersBase (  ) 

Default constructor.

virtual BALL::MMFF94ParametersBase::~MMFF94ParametersBase (  )  [inline, virtual]

Destructor.

Definition at line 51 of file MMFF94Parameters.h.


Member Function Documentation

virtual void BALL::MMFF94ParametersBase::clear (  )  [virtual]
bool BALL::MMFF94ParametersBase::isInitialized (  )  [inline]

Definition at line 62 of file MMFF94Parameters.h.

const MMFF94ParametersBase& BALL::MMFF94ParametersBase::operator= ( const MMFF94ParametersBase  )  [inline]

Assignment operator.

Definition at line 54 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 69 of file MMFF94Parameters.h.

virtual bool BALL::MMFF94ParametersBase::setup_ ( const vector< vector< String > > &   )  [inline, protected, virtual]

Member Data Documentation

Definition at line 79 of file MMFF94Parameters.h.

Definition at line 73 of file MMFF94Parameters.h.

Definition at line 78 of file MMFF94Parameters.h.


Generated on Tue Dec 7 19:12:51 2010 for BALL by  doxygen 1.5.9