OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::Field< T > Class Template Referenceabstract
Inheritance diagram for OpenMD::Field< T >:

Public Member Functions

 Field (SimInfo *info, const std::string &filename, const std::string &sele, RealType voxelSize)
virtual void process ()
virtual void processFrame (int frame)
virtual void postProcess ()
virtual T getValue (StuntDouble *sd)=0
virtual void writeField ()
virtual std::string writeValue (T v)
virtual void writeVisualizationScript ()
std::string writeValue (RealType v)
std::string writeValue (Vector3d v)
Public Member Functions inherited from OpenMD::StaticAnalyser
 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
void setOutputName (const std::string &filename)
const std::string & getOutputFileName () const
void setStep (int step)
int getStep () const
const std::string & getAnalysisType () const
void setAnalysisType (const std::string &type)
void setParameterString (const std::string &params)

Protected Member Functions

RealType getDensity (RealType dist, RealType sigma, RealType rcut)
Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()

Protected Attributes

Snapshot * snap_
int nProcessed_
string selectionScript_
SelectionManager seleMan_
SelectionEvaluator evaluator_
bool usePeriodicBoundaryConditions_
RealType rcut_
RealType reffective_
RealType voxelSize_
Vector3i nBins_
std::vector< std::vector< std::vector< RealType > > > dens_
std::vector< std::vector< std::vector< T > > > field_
Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfo * info_ {nullptr}
std::string dumpFilename_
int step_
unsigned int nBins_
std::string outputFilename_
std::string analysisType_
std::string paramString_
std::vector< OutputData > data_
std::vector< AtomType * > outputTypes_

Detailed Description

template<class T>
class OpenMD::Field< T >

Definition at line 59 of file Field.hpp.

Constructor & Destructor Documentation

◆ Field()

template<class T>
OpenMD::Field< T >::Field ( SimInfo * info,
const std::string & filename,
const std::string & sele,
RealType voxelSize )

Definition at line 69 of file Field.cpp.

Member Function Documentation

◆ getDensity()

template<class T>
RealType OpenMD::Field< T >::getDensity ( RealType dist,
RealType sigma,
RealType rcut )
protected

Definition at line 288 of file Field.cpp.

◆ postProcess()

template<class T>
void OpenMD::Field< T >::postProcess ( )
virtual

Definition at line 301 of file Field.cpp.

◆ process()

template<class T>
void OpenMD::Field< T >::process ( )
virtual

Implements OpenMD::StaticAnalyser.

Definition at line 147 of file Field.cpp.

◆ processFrame()

template<class T>
void OpenMD::Field< T >::processFrame ( int frame)
virtual

Definition at line 163 of file Field.cpp.

◆ writeField()

template<class T>
void OpenMD::Field< T >::writeField ( )
virtual

Definition at line 312 of file Field.cpp.

◆ writeValue() [1/2]

std::string OpenMD::Field< RealType >::writeValue ( RealType v)

Definition at line 415 of file Field.cpp.

◆ writeValue() [2/2]

std::string OpenMD::Field< Vector3d >::writeValue ( Vector3d v)

Definition at line 428 of file Field.cpp.

◆ writeVisualizationScript()

template<class T>
void OpenMD::Field< T >::writeVisualizationScript ( )
virtual

Definition at line 351 of file Field.cpp.

Member Data Documentation

◆ dens_

template<class T>
std::vector<std::vector<std::vector<RealType> > > OpenMD::Field< T >::dens_
protected

Definition at line 89 of file Field.hpp.

◆ evaluator_

template<class T>
SelectionEvaluator OpenMD::Field< T >::evaluator_
protected

Definition at line 81 of file Field.hpp.

◆ field_

template<class T>
std::vector<std::vector<std::vector<T> > > OpenMD::Field< T >::field_
protected

Definition at line 90 of file Field.hpp.

◆ nBins_

template<class T>
Vector3i OpenMD::Field< T >::nBins_
protected

Definition at line 87 of file Field.hpp.

◆ nProcessed_

template<class T>
int OpenMD::Field< T >::nProcessed_
protected

Definition at line 78 of file Field.hpp.

◆ rcut_

template<class T>
RealType OpenMD::Field< T >::rcut_
protected

Definition at line 83 of file Field.hpp.

◆ reffective_

template<class T>
RealType OpenMD::Field< T >::reffective_
protected

Definition at line 84 of file Field.hpp.

◆ selectionScript_

template<class T>
string OpenMD::Field< T >::selectionScript_
protected

Definition at line 79 of file Field.hpp.

◆ seleMan_

template<class T>
SelectionManager OpenMD::Field< T >::seleMan_
protected

Definition at line 80 of file Field.hpp.

◆ snap_

template<class T>
Snapshot* OpenMD::Field< T >::snap_
protected

Definition at line 77 of file Field.hpp.

◆ usePeriodicBoundaryConditions_

template<class T>
bool OpenMD::Field< T >::usePeriodicBoundaryConditions_
protected

Definition at line 82 of file Field.hpp.

◆ voxelSize_

template<class T>
RealType OpenMD::Field< T >::voxelSize_
protected

Definition at line 86 of file Field.hpp.

The documentation for this class was generated from the following files: