X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Ftrajectoryanalysis%2Fmodules%2Ffreevolume.cpp;h=a07cebffd9e240d5576aac74083d9ca046f37d62;hb=d140ff68d87ca3c962308fc03dadd4d99cdd9459;hp=a99215cffd6df62af3073d3fb686859f2b33f76f;hpb=5750bfe806310856448a1e7baf46a7d648d1185e;p=alexxy%2Fgromacs.git

diff --git a/src/gromacs/trajectoryanalysis/modules/freevolume.cpp b/src/gromacs/trajectoryanalysis/modules/freevolume.cpp
index a99215cffd..a07cebffd9 100644
--- a/src/gromacs/trajectoryanalysis/modules/freevolume.cpp
+++ b/src/gromacs/trajectoryanalysis/modules/freevolume.cpp
@@ -53,7 +53,7 @@
 #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"
@@ -85,28 +85,16 @@ namespace
 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:
@@ -162,7 +150,7 @@ FreeVolume::~FreeVolume()
 
 
 void
-FreeVolume::initOptions(Options                    *options,
+FreeVolume::initOptions(IOptionsContainer          *options,
                         TrajectoryAnalysisSettings *settings)
 {
     static const char *const desc[] = {