votca::csg::RDFCalculator::Worker Class Reference

#include <rdf_calculator.h>

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

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

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< Histogram >	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 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<Histogram> 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.

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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