#include "gromacs/math/vec.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/filenameoption.h"
-#include "gromacs/options/options.h"
+#include "gromacs/options/ioptionscontainer.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/random/random.h"
#include "gromacs/selection/nbsearch.h"
class FreeVolume : public TrajectoryAnalysisModule
{
public:
- //! Constructor
FreeVolume();
-
- //! Destructor
virtual ~FreeVolume();
- //! Set the options and setting
- virtual void initOptions(Options *options,
+ virtual void initOptions(IOptionsContainer *options,
TrajectoryAnalysisSettings *settings);
-
- //! First routine called by the analysis framework
virtual void initAnalysis(const TrajectoryAnalysisSettings &settings,
const TopologyInformation &top);
-
- //! Call for each frame of the trajectory
virtual void analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc,
TrajectoryAnalysisModuleData *pdata);
-
- //! Last routine called by the analysis framework
virtual void finishAnalysis(int nframes);
-
- //! Routine to write output, that is additional over the built-in
virtual void writeOutput();
private:
void
-FreeVolume::initOptions(Options *options,
+FreeVolume::initOptions(IOptionsContainer *options,
TrajectoryAnalysisSettings *settings)
{
static const char *const desc[] = {