OpenMD::Field< T > Class Template Reference

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 56 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 66 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 285 of file Field.cpp.

postProcess()

template<class T >

void OpenMD::Field< T >::postProcess ( )

virtual

Definition at line 298 of file Field.cpp.

process()

template<class T >

void OpenMD::Field< T >::process ( )

virtual

Implements OpenMD::StaticAnalyser.

Definition at line 144 of file Field.cpp.

processFrame()

template<class T >

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

virtual

Definition at line 160 of file Field.cpp.

writeField()

template<class T >

void OpenMD::Field< T >::writeField ( )

virtual

Definition at line 309 of file Field.cpp.

writeValue() [1/2]

std::string OpenMD::Field< RealType >::writeValue

(

RealType

v

)

Definition at line 412 of file Field.cpp.

writeValue() [2/2]

std::string OpenMD::Field< Vector3d >::writeValue

(

Vector3d

v

)

Definition at line 425 of file Field.cpp.

writeVisualizationScript()

template<class T >

void OpenMD::Field< T >::writeVisualizationScript ( )

virtual

Definition at line 348 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 86 of file Field.hpp.

evaluator_

template<class T >

SelectionEvaluator OpenMD::Field< T >::evaluator_

protected

Definition at line 78 of file Field.hpp.

field_

template<class T >

std::vector<std::vector<std::vector<T> > > OpenMD::Field< T >::field_

protected

Definition at line 87 of file Field.hpp.

nBins_

template<class T >

Vector3i OpenMD::Field< T >::nBins_

protected

Definition at line 84 of file Field.hpp.

nProcessed_

template<class T >

int OpenMD::Field< T >::nProcessed_

protected

Definition at line 75 of file Field.hpp.

rcut_

template<class T >

RealType OpenMD::Field< T >::rcut_

protected

Definition at line 80 of file Field.hpp.

reffective_

template<class T >

RealType OpenMD::Field< T >::reffective_

protected

Definition at line 81 of file Field.hpp.

selectionScript_

template<class T >

string OpenMD::Field< T >::selectionScript_

protected

Definition at line 76 of file Field.hpp.

seleMan_

template<class T >

SelectionManager OpenMD::Field< T >::seleMan_

protected

Definition at line 77 of file Field.hpp.

snap_

template<class T >

Snapshot* OpenMD::Field< T >::snap_

protected

Definition at line 74 of file Field.hpp.

usePeriodicBoundaryConditions_

template<class T >

bool OpenMD::Field< T >::usePeriodicBoundaryConditions_

protected

Definition at line 79 of file Field.hpp.

voxelSize_

template<class T >

RealType OpenMD::Field< T >::voxelSize_

protected

Definition at line 83 of file Field.hpp.

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

• applications/staticProps/Field.hpp
• applications/staticProps/Field.cpp