scattering.cpp File Reference

#include "gmxpre.h"
#include "scattering.h"
#include <cstdio>
#include <memory>
#include <string>
#include <vector>
#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/selection/selection.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/trajectoryanalysis/analysissettings.h"
#include "gromacs/trajectoryanalysis/modules/isotope.h"
#include "gromacs/trajectoryanalysis/modules/scattering-debye.h"
#include "gromacs/trajectoryanalysis/topologyinformation.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/pleasecite.h"
#include "scattering-debye-sans.h"
#include "scattering-debye-saxs.h"

Include dependency graph for scattering.cpp:

Description

Implements gmx::analysismodules::scattering.

Author

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

Enumerations
enum	gmx::analysismodules::anonymous_namespace{scattering.cpp}::ScatterType { SAXS, SANS, Count }
	Type of scattering calculation to perform.

Variables
const gmx::EnumerationArray < ScatterType, const char * >	gmx::analysismodules::anonymous_namespace{scattering.cpp}::ScatterTypeNames = { { "saxs", "sans" } }
	String values corresponding to ScatterType.