select.cpp File Reference

#include "gmxpre.h"
#include "select.h"
#include <cstdio>
#include <algorithm>
#include <filesystem>
#include <memory>
#include <set>
#include <string>
#include <vector>
#include "gromacs/analysisdata/analysisdata.h"
#include "gromacs/analysisdata/dataframe.h"
#include "gromacs/analysisdata/datamodule.h"
#include "gromacs/analysisdata/modules/average.h"
#include "gromacs/analysisdata/modules/lifetime.h"
#include "gromacs/analysisdata/modules/plot.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/trxio.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/selection/indexutil.h"
#include "gromacs/selection/selection.h"
#include "gromacs/selection/selectionenums.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/topology/atoms.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/trajectoryanalysis/analysissettings.h"
#include "gromacs/trajectoryanalysis/topologyinformation.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"

Include dependency graph for select.cpp:

Description

Implements gmx::analysismodules::Select.

Author

Teemu Murtola teemu.nosp@m..mur.nosp@m.tola@.nosp@m.gmai.nosp@m.l.com

Classes
class	gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule
	Data module for writing index files. More...

Enumerations
enum	gmx::analysismodules::anonymous_namespace{select.cpp}::ResidueNumbering : int { ByNumber, ByIndex, Count }
	How to identify residues in output files.
enum	gmx::analysismodules::anonymous_namespace{select.cpp}::PdbAtomsSelection : int { All, MaxSelection, Selected, Count }
	Which atoms to write out to PDB files.

Variables
const EnumerationArray < ResidueNumbering, const char * >	gmx::analysismodules::anonymous_namespace{select.cpp}::c_residueNumberingTypeNames
	String values corresponding to ResidueNumbering. More...
const EnumerationArray < PdbAtomsSelection, const char * >	gmx::analysismodules::anonymous_namespace{select.cpp}::c_pdbAtomsTypeNames
	String values corresponding to PdbAtomsSelection. More...