selection.cpp File Reference

#include "gmxpre.h"
#include "gromacs/selection/selection.h"
#include <cstdio>
#include <memory>
#include <string>
#include <vector>
#include "gromacs/selection/indexutil.h"
#include "gromacs/selection/nbsearch.h"
#include "gromacs/selection/position.h"
#include "gromacs/selection/selectionenums.h"
#include "gromacs/topology/atoms.h"
#include "gromacs/topology/block.h"
#include "gromacs/topology/mtop_lookup.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/textwriter.h"
#include "selelem.h"
#include "selvalue.h"

Include dependency graph for selection.cpp:

Description

Implements classes in selection.h.

Author

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

Functions
void	gmx::internal::anonymous_namespace{selection.cpp}::computeMassesAndCharges (const gmx_mtop_t *top, const gmx_ana_pos_t &pos, std::vector< real > *masses, std::vector< real > *charges)
	Helper function to compute total masses and charges for positions. More...