votca::csg::BondedStatistics Class Reference

Class calculates data associated with bond interactions. More...

#include <bondedstatistics.h>

Inheritance diagram for votca::csg::BondedStatistics:

Collaboration diagram for votca::csg::BondedStatistics:

Public Member Functions
void	BeginCG (Topology *top, Topology *top_atom=nullptr) override
	called before the first frame
void	EndCG () override
	called after the last frame
void	EvalConfiguration (Topology *conf, Topology *conf_atom=nullptr) override
tools::DataCollection< double > &	BondedValues ()
virtual void	BeginCG (Topology *top, Topology *top_atom=nullptr)=0
	called before the first frame
virtual void	EndCG ()=0
	called after the last frame
virtual void	EvalConfiguration (Topology *top, Topology *top_atom=nullptr)=0

Protected Attributes
tools::DataCollection< double >	bonded_values_

Detailed Description

Class calculates data associated with bond interactions.

This class will essentially calculate and store information related to each type of interaction. For instance for the IBond which is the interaction between two beads it will calculate and store the distance between the two beads involved in the interaction. It will calculate a similar metric for all other interactions such as IAngle, IDihedral etc...

Definition at line 35 of file bondedstatistics.h.

Member Function Documentation

BeginCG()

void votca::csg::BondedStatistics::BeginCG ( Topology *  top, Topology *  top_atom = nullptr  )

overridevirtual

called before the first frame

Implements votca::csg::CGObserver.

Definition at line 25 of file bondedstatistics.cc.

BondedValues()

tools::DataCollection< double > & votca::csg::BondedStatistics::BondedValues ( )

inline

Definition at line 43 of file bondedstatistics.h.

EndCG()

void votca::csg::BondedStatistics::EndCG ( )

overridevirtual

called after the last frame

Implements votca::csg::CGObserver.

Definition at line 32 of file bondedstatistics.cc.

EvalConfiguration()

void votca::csg::BondedStatistics::EvalConfiguration ( Topology *  conf, Topology *  conf_atom = nullptr  )

overridevirtual

Implements votca::csg::CGObserver.

Definition at line 34 of file bondedstatistics.cc.

Member Data Documentation

bonded_values_

tools::DataCollection<double> votca::csg::BondedStatistics::bonded_values_

protected

Definition at line 46 of file bondedstatistics.h.

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

• csg/src/csg_boltzmann/bondedstatistics.h
• csg/src/csg_boltzmann/bondedstatistics.cc