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

#include <CenterOfMass.hpp>

Inheritance diagram for OpenMD::CenterOfMass:
OpenMD::SequentialAnalyzer

Public Member Functions

 CenterOfMass (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
 
virtual void doFrame (int frame)
 
virtual void writeSequence ()
 
- Public Member Functions inherited from OpenMD::SequentialAnalyzer
 SequentialAnalyzer (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
 
virtual ~SequentialAnalyzer ()
 
virtual void doSequence ()
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 
void setStep (int step)
 
int getStep ()
 
const std::string & getSequenceType () const
 
void setSequenceType (const std::string &type)
 
void setParameterString (const std::string &params)
 

Private Attributes

std::vector< Vector3dvalues_
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::SequentialAnalyzer
virtual void preSequence ()
 
virtual void postSequence ()
 
- Protected Attributes inherited from OpenMD::SequentialAnalyzer
SimInfoinfo_
 
SnapshotcurrentSnapshot_
 
std::string dumpFilename_
 
SelectionManager seleMan1_
 
std::string selectionScript1_
 
SelectionEvaluator evaluator1_
 
SelectionManager seleMan2_
 
std::string selectionScript2_
 
SelectionEvaluator evaluator2_
 
int step_
 
std::string outputFilename_
 
int frame_
 
int storageLayout_
 
std::vector< RealType > times_
 
std::vector< RealType > values_
 
std::string sequenceType_
 
std::string paramString_
 

Detailed Description

Definition at line 49 of file CenterOfMass.hpp.

Constructor & Destructor Documentation

◆ CenterOfMass()

OpenMD::CenterOfMass::CenterOfMass ( SimInfo info,
const std::string &  filename,
const std::string &  sele1,
const std::string &  sele2 
)

Member Function Documentation

◆ doFrame()

◆ writeSequence()

Member Data Documentation

◆ values_

std::vector<Vector3d> OpenMD::CenterOfMass::values_
private

Definition at line 58 of file CenterOfMass.hpp.

Referenced by doFrame(), and writeSequence().


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