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

#include <CenterOfMass.hpp>

Inheritance diagram for OpenMD::CenterOfMass:

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
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_

Definition at line 58 of file CenterOfMass.hpp.

Referenced by doFrame(), and writeSequence().

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