OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | |
P2Z (SimInfo *info, const string &filename, const string &sele1, unsigned int nbins, int axis) | |
P2Z (SimInfo *info, const string &filename, const string &sele1, const string &sele2, unsigned int nbins, int axis) | |
P2Z (SimInfo *info, const string &filename, const string &sele, const int seleOffset, unsigned int nbins, int axis) | |
P2Z (SimInfo *info, const string &filename, const string &sele, const int seleOffset, const int seleOffset2, unsigned int nbins, int axis) | |
virtual void | process () |
Public Member Functions inherited from OpenMD::P2R | |
P2R (SimInfo *info, const string &filename, const string &sele1, unsigned int nbins) | |
P2R (SimInfo *info, const string &filename, const string &sele1, const string &sele2, unsigned int nbins) | |
P2R (SimInfo *info, const string &filename, const string &sele, const int seleOffset, unsigned int nbins) | |
P2R (SimInfo *info, const string &filename, const string &sele, const int seleOffset, const int seleOffset2, unsigned int nbins) | |
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 ¶ms) |
Additional Inherited Members | |
Protected Member Functions inherited from OpenMD::P2R | |
void | processHistogram () |
void | writeP2R () |
Protected Member Functions inherited from OpenMD::StaticAnalyser | |
virtual void | writeOutput () |
Protected Attributes inherited from OpenMD::P2R | |
Snapshot * | currentSnapshot_ |
bool | doVect_ |
bool | doOffset_ |
bool | doOffset2_ |
string | selectionScript1_ |
string | selectionScript2_ |
SelectionManager | seleMan1_ |
SelectionManager | seleMan2_ |
SelectionEvaluator | evaluator1_ |
SelectionEvaluator | evaluator2_ |
int | seleOffset_ {} |
int | seleOffset2_ {} |
int | nProcessed_ {} |
RealType | P2_ {} |
int | count_ {} |
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_ |
OpenMD::P2Z::P2Z | ( | SimInfo * | info, |
const string & | filename, | ||
const string & | sele1, | ||
unsigned int | nbins, | ||
int | axis ) |
OpenMD::P2Z::P2Z | ( | SimInfo * | info, |
const string & | filename, | ||
const string & | sele1, | ||
const string & | sele2, | ||
unsigned int | nbins, | ||
int | axis ) |
OpenMD::P2Z::P2Z | ( | SimInfo * | info, |
const string & | filename, | ||
const string & | sele, | ||
const int | seleOffset, | ||
unsigned int | nbins, | ||
int | axis ) |
OpenMD::P2Z::P2Z | ( | SimInfo * | info, |
const string & | filename, | ||
const string & | sele, | ||
const int | seleOffset, | ||
const int | seleOffset2, | ||
unsigned int | nbins, | ||
int | axis ) |
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virtual |
Reimplemented from OpenMD::P2R.