BALL  1.4.1
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BALL::MMFF94AtomTypes Class Reference

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

Inheritance diagram for BALL::MMFF94AtomTypes:
BALL::MMFF94ParametersBase

Public Member Functions

 MMFF94AtomTypes ()
 MMFF94AtomTypes (const MMFF94AtomTypes &to_copy)
 ~MMFF94AtomTypes ()
const vector< MMFF94AtomType > & getAtomTypes () const
- Public Member Functions inherited from BALL::MMFF94ParametersBase
 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

vector< MMFF94AtomTypedata_
- Protected Attributes inherited from BALL::MMFF94ParametersBase
bool is_initialized_
Size number_expected_fields_
const MMFF94AtomTypeEquivalencesequiv_

Detailed Description

MMFF94 parameters for atom types (see MMFFPROP.PAR)

Definition at line 160 of file MMFF94Parameters.h.

Constructor & Destructor Documentation

BALL::MMFF94AtomTypes::MMFF94AtomTypes ( )
BALL::MMFF94AtomTypes::MMFF94AtomTypes ( const MMFF94AtomTypes to_copy)
BALL::MMFF94AtomTypes::~MMFF94AtomTypes ( )
inline

Definition at line 172 of file MMFF94Parameters.h.

Member Function Documentation

const vector<MMFF94AtomType>& BALL::MMFF94AtomTypes::getAtomTypes ( ) const
inline

Definition at line 175 of file MMFF94Parameters.h.

virtual bool BALL::MMFF94AtomTypes::setup_ ( const vector< vector< String > > &  )
protectedvirtual

Reimplemented from BALL::MMFF94ParametersBase.

Member Data Documentation

vector<MMFF94AtomType> BALL::MMFF94AtomTypes::data_
protected

Definition at line 180 of file MMFF94Parameters.h.