OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::Hxy Class Reference

#include <Hxy.hpp>

Inheritance diagram for OpenMD::Hxy:
OpenMD::StaticAnalyser

Public Member Functions

 Hxy (SimInfo *info, const std::string &filename, const std::string &sele, int nbins_x, int nbins_y, int nbins_z, int nrbins)
 
virtual ~Hxy ()
 
virtual void process ()
 
- Public Member Functions inherited from OpenMD::StaticAnalyser
 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
 
virtual ~StaticAnalyser ()
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 
void setStep (int step)
 
int getStep ()
 
const std::string & getAnalysisType () const
 
void setAnalysisType (const std::string &type)
 
void setParameterString (const std::string &params)
 

Private Member Functions

RealType getDensity (RealType dist, RealType sigma, RealType rcut)
 

Private Attributes

SnapshotcurrentSnapshot_
 
int nProcessed_
 
std::string selectionScript_
 
SelectionEvaluator evaluator_
 
SelectionManager seleMan_
 
unsigned int nBinsX_
 
unsigned int nBinsY_
 
unsigned int nBinsZ_
 
RealType dfreq_
 
std::vector< std::vector< std::vector< RealType > > > dens_
 
std::vector< std::vector< RealType > > minHeight_
 
std::vector< std::vector< RealType > > maxHeight_
 
std::vector< RealType > mag1
 
std::vector< RealType > newmag1
 
std::vector< RealType > mag2
 
std::vector< RealType > newmag2
 
OutputDatafreq_
 
OutputDatatop_
 
OutputDatabottom_
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 
virtual void writeData (ostream &os, OutputData *dat, unsigned int bin)
 
virtual void writeErrorBars (ostream &os, OutputData *dat, unsigned int bin)
 
OutputDatabeginOutputData (vector< OutputData *>::iterator &i)
 
OutputDatanextOutputData (vector< OutputData *>::iterator &i)
 
- Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfoinfo_
 
std::string dumpFilename_
 
std::string outputFilename_
 
int step_
 
std::string analysisType_
 
std::string paramString_
 
unsigned int nBins_
 
OutputDatacounts_
 
vector< OutputData * > data_
 

Detailed Description

Definition at line 73 of file Hxy.hpp.

Constructor & Destructor Documentation

◆ Hxy()

◆ ~Hxy()

OpenMD::Hxy::~Hxy ( )
virtual

Definition at line 132 of file Hxy.cpp.

Member Function Documentation

◆ getDensity()

RealType OpenMD::Hxy::getDensity ( RealType  dist,
RealType  sigma,
RealType  rcut 
)
private

Definition at line 497 of file Hxy.cpp.

References OpenMD::Constants::PI.

Referenced by process().

◆ process()

Member Data Documentation

◆ bottom_

OutputData* OpenMD::Hxy::bottom_
private

Definition at line 105 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ currentSnapshot_

Snapshot* OpenMD::Hxy::currentSnapshot_
private

Definition at line 85 of file Hxy.hpp.

Referenced by process().

◆ dens_

std::vector<std::vector<std::vector<RealType> > > OpenMD::Hxy::dens_
private

Definition at line 97 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ dfreq_

RealType OpenMD::Hxy::dfreq_
private

Definition at line 95 of file Hxy.hpp.

Referenced by process().

◆ evaluator_

SelectionEvaluator OpenMD::Hxy::evaluator_
private

Definition at line 89 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ freq_

OutputData* OpenMD::Hxy::freq_
private

Definition at line 103 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ mag1

std::vector<RealType> OpenMD::Hxy::mag1
private

Definition at line 100 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ mag2

std::vector<RealType> OpenMD::Hxy::mag2
private

Definition at line 101 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ maxHeight_

std::vector<std::vector<RealType> > OpenMD::Hxy::maxHeight_
private

Definition at line 99 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ minHeight_

std::vector<std::vector<RealType> > OpenMD::Hxy::minHeight_
private

Definition at line 98 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ nBinsX_

unsigned int OpenMD::Hxy::nBinsX_
private

Definition at line 92 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ nBinsY_

unsigned int OpenMD::Hxy::nBinsY_
private

Definition at line 93 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ nBinsZ_

unsigned int OpenMD::Hxy::nBinsZ_
private

Definition at line 94 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ newmag1

std::vector<RealType> OpenMD::Hxy::newmag1
private

Definition at line 100 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ newmag2

std::vector<RealType> OpenMD::Hxy::newmag2
private

Definition at line 101 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ nProcessed_

int OpenMD::Hxy::nProcessed_
private

Definition at line 87 of file Hxy.hpp.

Referenced by process().

◆ selectionScript_

std::string OpenMD::Hxy::selectionScript_
private

Definition at line 88 of file Hxy.hpp.

◆ seleMan_

SelectionManager OpenMD::Hxy::seleMan_
private

Definition at line 90 of file Hxy.hpp.

Referenced by Hxy(), and process().

◆ top_

OutputData* OpenMD::Hxy::top_
private

Definition at line 104 of file Hxy.hpp.

Referenced by Hxy(), and process().


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