Gromacs
2024.3
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#include "gmxpre.h"
#include "select.h"
#include <cstdio>
#include <algorithm>
#include <set>
#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/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/options/ioptionscontainer.h"
#include "gromacs/selection/selection.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/trajectoryanalysis/analysissettings.h"
#include "gromacs/trajectoryanalysis/topologyinformation.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
Implements gmx::analysismodules::Select.
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... | |