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OpenMD::FrameTimeCorrFunc Class Referenceabstract
Inheritance diagram for OpenMD::FrameTimeCorrFunc:
Public Member Functions | |
| FrameTimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int storageLayout, long long int memSize) | |
| Public Member Functions inherited from OpenMD::TimeCorrFunc< T > | |
| TimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2) | |
| virtual void | doCorrelate () |
| const std::string & | getCorrFuncType () const |
| void | setCorrFuncType (const std::string &type) |
| void | setParameterString (const std::string ¶ms) |
| void | setLabelString (const std::string &label) |
| Public Member Functions inherited from OpenMD::DynamicProperty | |
| void | setOutputName (const std::string &filename) |
| const std::string & | getOutputFileName () const |
Additional Inherited Members | |
| Protected Member Functions inherited from OpenMD::TimeCorrFunc< T > | |
| virtual void | preCorrelate () |
| virtual void | correlation () |
| virtual void | postCorrelate () |
| virtual void | computeFrame (int frame) |
| virtual void | validateSelection (SelectionManager &seleMan) |
| virtual void | correlateFrames (int frame1, int frame2, int timeBin) |
| virtual void | writeCorrelate () |
| virtual void | computeProperty1 (int frame)=0 |
| virtual void | computeProperty2 (int frame)=0 |
| virtual int | computeProperty1 (int frame, Molecule *mol)=0 |
| virtual int | computeProperty2 (int frame, Molecule *mol)=0 |
| virtual int | computeProperty1 (int frame, StuntDouble *sd)=0 |
| virtual int | computeProperty2 (int frame, StuntDouble *sd)=0 |
| virtual int | computeProperty1 (int frame, Bond *b)=0 |
| virtual int | computeProperty2 (int frame, Bond *b)=0 |
| virtual T | calcCorrVal (int frame1, int frame2, int id1, int id2)=0 |
| void | writeCorrelate () |
| void | writeCorrelate () |
| Protected Attributes inherited from OpenMD::TimeCorrFunc< T > | |
| RealType | deltaTime_ |
| unsigned int | nTimeBins_ |
| int | nFrames_ |
| std::vector< T > | histogram_ |
| std::vector< int > | count_ |
| std::vector< RealType > | times_ |
| SimInfo * | info_ {nullptr} |
| DumpReader * | reader_ |
| std::string | dumpFilename_ |
| SelectionManager | seleMan1_ |
| SelectionManager | seleMan2_ |
| Snapshot * | currentSnapshot_ |
| std::string | selectionScript1_ |
| std::string | selectionScript2_ |
| SelectionEvaluator | evaluator1_ |
| SelectionEvaluator | evaluator2_ |
| bool | uniqueSelections_ |
| bool | autoCorrFunc_ |
| bool | doSystemProperties_ |
| bool | doMolecularProperties_ |
| bool | doObjectProperties_ |
| bool | doAtomicProperties_ |
| bool | doBondProperties_ |
| std::string | corrFuncType_ |
| std::string | paramString_ |
| std::string | labelString_ |
| std::vector< std::vector< int > > | sele1ToIndex_ |
| std::vector< std::vector< int > > | sele2ToIndex_ |
| ProgressBarPtr | progressBar_ |
| Protected Attributes inherited from OpenMD::DynamicProperty | |
| std::string | outputFilename_ |
Detailed Description
Definition at line 49 of file FrameTimeCorrFunc.hpp.
Constructor & Destructor Documentation
◆ FrameTimeCorrFunc()
| OpenMD::FrameTimeCorrFunc::FrameTimeCorrFunc | ( | SimInfo * | info, |
| const std::string & | filename, | ||
| const std::string & | sele1, | ||
| const std::string & | sele2, | ||
| int | storageLayout, | ||
| long long int | memSize ) |
Definition at line 47 of file FrameTimeCorrFunc.cpp.
The documentation for this class was generated from the following files:
- applications/dynamicProps/old/FrameTimeCorrFunc.hpp
- applications/dynamicProps/old/FrameTimeCorrFunc.cpp
