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

#include <RippleOP.hpp>

Inheritance diagram for OpenMD::RippleOP:
OpenMD::StaticAnalyser

Classes

struct  OrderParam
 

Public Member Functions

 RippleOP (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
 
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

void writeP2 ()
 

Private Attributes

SnapshotcurrentSnapshot_
 
std::string selectionScript1_
 
std::string selectionScript2_
 
SelectionManager seleMan1_
 
SelectionManager seleMan2_
 
SelectionEvaluator evaluator1_
 
SelectionEvaluator evaluator2_
 
std::vector< std::pair< StuntDouble *, StuntDouble * > > sdPairs_
 
std::vector< OrderParamorderParamsHeadUpper_
 
std::vector< OrderParamorderParamsHeadLower_
 
std::vector< OrderParamorderParamsTail_
 
OrderParam avgOPHeadUpper
 
OrderParam avgOPHeadLower
 
OrderParam errOPHeadUpper
 
OrderParam errOPHeadLower
 
OrderParam avgOPTail
 
OrderParam errOPTail
 

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 50 of file RippleOP.hpp.

Constructor & Destructor Documentation

◆ RippleOP()

Member Function Documentation

◆ process()

◆ writeP2()

Member Data Documentation

◆ avgOPHeadLower

OrderParam OpenMD::RippleOP::avgOPHeadLower
private

Definition at line 75 of file RippleOP.hpp.

Referenced by process(), and writeP2().

◆ avgOPHeadUpper

OrderParam OpenMD::RippleOP::avgOPHeadUpper
private

Definition at line 75 of file RippleOP.hpp.

Referenced by process(), and writeP2().

◆ avgOPTail

OrderParam OpenMD::RippleOP::avgOPTail
private

Definition at line 75 of file RippleOP.hpp.

Referenced by process(), and writeP2().

◆ currentSnapshot_

Snapshot* OpenMD::RippleOP::currentSnapshot_
private

Definition at line 65 of file RippleOP.hpp.

Referenced by process().

◆ errOPHeadLower

OrderParam OpenMD::RippleOP::errOPHeadLower
private

Definition at line 75 of file RippleOP.hpp.

Referenced by process(), and writeP2().

◆ errOPHeadUpper

OrderParam OpenMD::RippleOP::errOPHeadUpper
private

Definition at line 75 of file RippleOP.hpp.

Referenced by process(), and writeP2().

◆ errOPTail

OrderParam OpenMD::RippleOP::errOPTail
private

Definition at line 75 of file RippleOP.hpp.

Referenced by process(), and writeP2().

◆ evaluator1_

SelectionEvaluator OpenMD::RippleOP::evaluator1_
private

Definition at line 71 of file RippleOP.hpp.

Referenced by RippleOP().

◆ evaluator2_

SelectionEvaluator OpenMD::RippleOP::evaluator2_
private

Definition at line 72 of file RippleOP.hpp.

Referenced by RippleOP().

◆ orderParamsHeadLower_

std::vector<OrderParam> OpenMD::RippleOP::orderParamsHeadLower_
private

Definition at line 74 of file RippleOP.hpp.

Referenced by process().

◆ orderParamsHeadUpper_

std::vector<OrderParam> OpenMD::RippleOP::orderParamsHeadUpper_
private

Definition at line 74 of file RippleOP.hpp.

Referenced by process().

◆ orderParamsTail_

std::vector<OrderParam> OpenMD::RippleOP::orderParamsTail_
private

Definition at line 74 of file RippleOP.hpp.

Referenced by process().

◆ sdPairs_

std::vector<std::pair<StuntDouble*, StuntDouble*> > OpenMD::RippleOP::sdPairs_
private

each pair is used to define a vector, vector = first - second

Definition at line 73 of file RippleOP.hpp.

Referenced by RippleOP().

◆ selectionScript1_

std::string OpenMD::RippleOP::selectionScript1_
private

Definition at line 67 of file RippleOP.hpp.

Referenced by writeP2().

◆ selectionScript2_

std::string OpenMD::RippleOP::selectionScript2_
private

Definition at line 68 of file RippleOP.hpp.

Referenced by writeP2().

◆ seleMan1_

SelectionManager OpenMD::RippleOP::seleMan1_
private

Definition at line 69 of file RippleOP.hpp.

Referenced by process(), and RippleOP().

◆ seleMan2_

SelectionManager OpenMD::RippleOP::seleMan2_
private

Definition at line 70 of file RippleOP.hpp.

Referenced by process(), and RippleOP().


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