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Functions
#include "gmxpre.h"
#include "selection.h"
#include <string>
#include "gromacs/selection/nbsearch.h"
#include "gromacs/topology/mtop_lookup.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/textwriter.h"
#include "position.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...