BALL 1.5.0
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Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
BALL::MMFF94ParametersBase Class Reference

#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

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)
 
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 MMFF94AtomTypeEquivalencesequiv_
 

Detailed Description

MMFF94 component parameters base class

Definition at line 39 of file MMFF94Parameters.h.

Constructor & Destructor Documentation

◆ MMFF94ParametersBase()

BALL::MMFF94ParametersBase::MMFF94ParametersBase ( )

Default constructor.

◆ ~MMFF94ParametersBase()

virtual BALL::MMFF94ParametersBase::~MMFF94ParametersBase ( )
inlinevirtual

Destructor.

Definition at line 49 of file MMFF94Parameters.h.

Member Function Documentation

◆ clear()

virtual void BALL::MMFF94ParametersBase::clear ( )
virtual

◆ isInitialized()

bool BALL::MMFF94ParametersBase::isInitialized ( )
inline

Definition at line 60 of file MMFF94Parameters.h.

◆ operator=()

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

Assignment operator.

Definition at line 52 of file MMFF94Parameters.h.

◆ readParameters()

bool BALL::MMFF94ParametersBase::readParameters ( Parameters p,
const String section 
)

◆ setEquivalences()

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

Definition at line 66 of file MMFF94Parameters.h.

◆ setup_()

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

Member Data Documentation

◆ equiv_

const MMFF94AtomTypeEquivalences* BALL::MMFF94ParametersBase::equiv_
protected

Definition at line 76 of file MMFF94Parameters.h.

◆ is_initialized_

bool BALL::MMFF94ParametersBase::is_initialized_
protected

Definition at line 72 of file MMFF94Parameters.h.

◆ number_expected_fields_

Size BALL::MMFF94ParametersBase::number_expected_fields_
protected

Definition at line 75 of file MMFF94Parameters.h.