gyrate.cpp File Reference

#include "gmxpre.h"
#include "gyrate.h"
#include <cmath>
#include <cstddef>
#include <algorithm>
#include <memory>
#include <string>
#include "gromacs/analysisdata/analysisdata.h"
#include "gromacs/analysisdata/modules/average.h"
#include "gromacs/analysisdata/modules/plot.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/options/ioptionscontainer.h"
#include "gromacs/options/optionfiletype.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/pbcutil/rmpbc.h"
#include "gromacs/selection/selection.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/trajectoryanalysis/analysismodule.h"
#include "gromacs/trajectoryanalysis/analysissettings.h"
#include "gromacs/trajectoryanalysis/topologyinformation.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/real.h"

Include dependency graph for gyrate.cpp:

Description

Implements gmx::analysismodules::Gyrate.

Author

Vladimir Basov vovab.nosp@m.asov.nosp@m.830@g.nosp@m.mail.nosp@m..com

Alexey Shvetsov alexx.nosp@m.yum@.nosp@m.gmail.nosp@m..com

Enumerations
enum	gmx::analysismodules::anonymous_namespace{gyrate.cpp}::GyrateMode : std::size_t { Mass = 0, Charge, Geometry, Count }
	Enum of different ways to use the weight of atoms.

Variables
const gmx::EnumerationArray < GyrateMode, const char * >	gmx::analysismodules::anonymous_namespace{gyrate.cpp}::c_GyrateModeNames
	String values corresponding to weight-assignment modes. More...