votca::csg::Imc::Worker Class Reference

#include <csg_stat_imc.h>

Inheritance diagram for votca::csg::Imc::Worker:

Collaboration diagram for votca::csg::Imc::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< tools::Histogram >	current_hists_
std::vector< tools::Histogram >	current_hists_force_
Imc *	imc_
double	cur_vol_

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 138 of file csg_stat_imc.h.

Member Function Documentation

DoBonded()

void votca::csg::Imc::Worker::DoBonded

(

Topology *

top

)

process bonded interactions for given frame

Definition at line 443 of file csg_stat_imc.cc.

DoNonbonded()

void votca::csg::Imc::Worker::DoNonbonded

(

Topology *

top

)

process non-bonded interactions for given frame

Definition at line 301 of file csg_stat_imc.cc.

EvalConfiguration()

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

overridevirtual

evaluate current conformation

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

Definition at line 265 of file csg_stat_imc.cc.

Member Data Documentation

cur_vol_

double votca::csg::Imc::Worker::cur_vol_

Definition at line 143 of file csg_stat_imc.h.

current_hists_

std::vector<tools::Histogram> votca::csg::Imc::Worker::current_hists_

Definition at line 140 of file csg_stat_imc.h.

current_hists_force_

std::vector<tools::Histogram> votca::csg::Imc::Worker::current_hists_force_

Definition at line 141 of file csg_stat_imc.h.

imc_

Imc* votca::csg::Imc::Worker::imc_

Definition at line 142 of file csg_stat_imc.h.

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

• csg/src/tools/csg_stat_imc.h
• csg/src/tools/csg_stat_imc.cc