Gromacs
5.1
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#include "gmxpre.h"
#include "angle.h"
#include <algorithm>
#include <string>
#include <vector>
#include "gromacs/analysisdata/analysisdata.h"
#include "gromacs/analysisdata/modules/average.h"
#include "gromacs/analysisdata/modules/histogram.h"
#include "gromacs/analysisdata/modules/plot.h"
#include "gromacs/fileio/trx.h"
#include "gromacs/math/vec.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/options/options.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/selection/selection.h"
#include "gromacs/selection/selectionoption.h"
#include "gromacs/trajectoryanalysis/analysissettings.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/stringutil.h"
Implements gmx::analysismodules::Angle.
Classes | |
class | gmx::analysismodules::anonymous_namespace{angle.cpp}::AnglePositionIterator |
Helper to encapsulate logic for looping over input selections. More... | |
Functions | |
static void | gmx::analysismodules::anonymous_namespace{angle.cpp}::calc_vec (int natoms, rvec x[], t_pbc *pbc, rvec xout, rvec cout) |
Helper method to calculate a vector from two or three positions. | |