#include "gromacs/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
#include "gromacs/options/ioptionscontainer.h"
-#include "gromacs/options/options.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/selection/selection.h"
#include "gromacs/selection/selectionoption.h"
virtual void initOptions(IOptionsContainer *options,
TrajectoryAnalysisSettings *settings);
- virtual void optionsFinished(Options *options,
- TrajectoryAnalysisSettings *settings);
+ virtual void optionsFinished(TrajectoryAnalysisSettings *settings);
virtual void initAnalysis(const TrajectoryAnalysisSettings &settings,
const TopologyInformation &top);
void
-Angle::optionsFinished(Options *options, TrajectoryAnalysisSettings * /* settings */)
+Angle::optionsFinished(TrajectoryAnalysisSettings * /* settings */)
{
const bool bSingle = (g1type_[0] == 'a' || g1type_[0] == 'd');
GMX_THROW(InconsistentInputError("Cannot use a second group (-g2) with "
"-g1 angle or dihedral"));
}
- if (bSingle && options->isSet("group2"))
+ if (bSingle && sel2info_->isSet())
{
GMX_THROW(InconsistentInputError("Cannot provide a second selection "
"(-group2) with -g1 angle or dihedral"));
default:
GMX_THROW(InternalError("invalid -g2 value"));
}
- if (natoms2_ == 0 && options->isSet("group2"))
+ if (natoms2_ == 0 && sel2info_->isSet())
{
GMX_THROW(InconsistentInputError("Cannot provide a second selection (-group2) with -g2 t0 or z"));
}