#include <rdf_calculator.h>

Inheritance diagram for votca::csg::RDFCalculator::Worker:

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Collaboration diagram for votca::csg::RDFCalculator::Worker:

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Public Member Functions
void	EvalConfiguration (Topology top, Topology top_atom) override
	evaluate current conformation

void	DoNonbonded (Topology *top)
	process non-bonded interactions for given frame

void	DoBonded (Topology *top)
	process bonded interactions for given frame

Public Member Functions inherited from votca::csg::CsgApplication::Worker
	Worker ()=default

Index	getId ()
	returns worker id

Public Member Functions inherited from votca::tools::Thread
	Thread ()

virtual	~Thread ()

void	Start ()
	Starts and runs a thread.

void	WaitDone ()
	WaitDone() will not exit until thread ends computation.

bool	IsFinished () const
	Checks to see if the thread is done.

Public Attributes
std::vector< HistogramNew >	current_hists_

RDFCalculator *	rdfcalculator_

double	cur_vol_

double	cur_beadlist_1_count_

double	cur_beadlist_2_count_

Additional Inherited Members
Protected Member Functions inherited from votca::csg::CsgApplication::Worker
void	Run (void) override
	Run() executes the actual code.

void	setApplication (CsgApplication *app)

void	setId (Index id)

Protected Member Functions inherited from votca::tools::Thread
Protected Attributes inherited from votca::csg::CsgApplication::Worker
CsgApplication *	app_ = nullptr

Topology	top_

Topology	top_cg_

std::unique_ptr< TopologyMap >	map_

Index	id_ = -1

Detailed Description

Definition at line 151 of file rdf_calculator.h.

Member Function Documentation

◆ DoBonded()

void votca::csg::RDFCalculator::Worker::DoBonded ( Topology * top )

process bonded interactions for given frame

Definition at line 301 of file rdf_calculator.cc.

◆ DoNonbonded()

void votca::csg::RDFCalculator::Worker::DoNonbonded ( Topology * top )

process non-bonded interactions for given frame

Definition at line 231 of file rdf_calculator.cc.

◆ EvalConfiguration()

void votca::csg::RDFCalculator::Worker::EvalConfiguration	(	Topology *	top,
		Topology *	top_atom )

overridevirtual

evaluate current conformation

Implements votca::csg::CsgApplication::Worker.

Definition at line 170 of file rdf_calculator.cc.

Member Data Documentation

◆ cur_beadlist_1_count_

double votca::csg::RDFCalculator::Worker::cur_beadlist_1_count_

Definition at line 156 of file rdf_calculator.h.

◆ cur_beadlist_2_count_

double votca::csg::RDFCalculator::Worker::cur_beadlist_2_count_

Definition at line 158 of file rdf_calculator.h.

◆ cur_vol_

double votca::csg::RDFCalculator::Worker::cur_vol_

Definition at line 155 of file rdf_calculator.h.

◆ current_hists_

std::vector<HistogramNew> votca::csg::RDFCalculator::Worker::current_hists_

Definition at line 153 of file rdf_calculator.h.

◆ rdfcalculator_

RDFCalculator* votca::csg::RDFCalculator::Worker::rdfcalculator_

Definition at line 154 of file rdf_calculator.h.

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

csg/src/csgapps/partial_rdf/rdf_calculator.h
csg/src/csgapps/partial_rdf/rdf_calculator.cc

Public Member Functions

Public Attributes

Additional Inherited Members