/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2012,2013,2014,2015, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#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/stringutil.h"
Distance::initOptions(Options *options, TrajectoryAnalysisSettings * /*settings*/)
{
static const char *const desc[] = {
- "[TT]gmx distance[tt] calculates distances between pairs of positions",
+ "[THISMODULE] calculates distances between pairs of positions",
"as a function of time. Each selection specifies an independent set",
"of distances to calculate. Each selection should consist of pairs",
"of positions, and the distances are computed between positions 1-2,",
"each individual distance, calculated over the frames."
};
- options->setDescription(concatenateStrings(desc));
+ options->setDescription(desc);
options->addOption(FileNameOption("oav").filetype(eftPlot).outputFile()
.store(&fnAverage_).defaultBasename("distave")
{
AnalysisDataPlotModulePointer plotm(
new AnalysisDataPlotModule(settings.plotSettings()));
- plotm->setFileName(fnAll_);
+ plotm->setFileName(fnXYZ_);
plotm->setTitle("Distance");
plotm->setXAxisIsTime();
plotm->setYLabel("Distance (nm)");