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OpenMD::RNEMDR Class Reference
Inheritance diagram for OpenMD::RNEMDR:
Public Member Functions | |
| RNEMDR (SimInfo *info, const std::string &filename, const std::string &sele, const std::string &comsele, int nrbins, RealType binWidth) | |
| void | processFrame (int frame) |
| void | processStuntDouble (StuntDouble *, int) |
| Public Member Functions inherited from OpenMD::ShellStatistics | |
| ShellStatistics (SimInfo *info, const std::string &filename, const std::string &sele, const std::string &comsele, int nbins, RealType binWidth) | |
| virtual int | getBin (Vector3d pos) |
| void | setCoordinateOrigin (Vector3d co) |
| Public Member Functions inherited from OpenMD::SpatialStatistics | |
| SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins) | |
| virtual void | process () |
| 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::StaticAnalyser | |
| virtual void | writeOutput () |
| Protected Attributes inherited from OpenMD::ShellStatistics | |
| Vector3d | coordinateOrigin_ |
| RealType | binWidth_ |
| std::string | comSele_ |
| SelectionManager | comSeleMan_ |
| SelectionEvaluator | comEvaluator_ |
| Protected Attributes inherited from OpenMD::SpatialStatistics | |
| Snapshot * | currentSnapshot_ {} |
| int | nProcessed_ {} |
| std::string | selectionScript_ |
| SelectionEvaluator | evaluator_ |
| SelectionManager | seleMan_ |
| 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
Definition at line 92 of file RNEMDStats.hpp.
Constructor & Destructor Documentation
◆ RNEMDR()
| OpenMD::RNEMDR::RNEMDR | ( | SimInfo * | info, |
| const std::string & | filename, | ||
| const std::string & | sele, | ||
| const std::string & | comsele, | ||
| int | nrbins, | ||
| RealType | binWidth ) |
Definition at line 478 of file RNEMDStats.cpp.
Member Function Documentation
◆ processFrame()
|
virtual |
Reimplemented from OpenMD::ShellStatistics.
Definition at line 529 of file RNEMDStats.cpp.
◆ processStuntDouble()
|
inlinevirtual |
Implements OpenMD::SpatialStatistics.
Definition at line 97 of file RNEMDStats.hpp.
The documentation for this class was generated from the following files:
- applications/staticProps/RNEMDStats.hpp
- applications/staticProps/RNEMDStats.cpp
