src/gromacs/trajectoryanalysis/analysissettings_impl.h

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  36 /*! \internal \file
  37  * \brief
  38  * Declares private implementation class for gmx::TrajectoryAnalysisSettings.
  39  *
  40  * \ingroup module_trajectoryanalysis
  41  * \author Teemu Murtola <teemu.murtola@gmail.com>
  42  */
  43 #ifndef GMX_TRAJECTORYANALYSIS_ANALYSISSETTINGS_IMPL_H
  44 #define GMX_TRAJECTORYANALYSIS_ANALYSISSETTINGS_IMPL_H
  45
  46 #include <string>
  47
  48 #include "gromacs/analysisdata/modules/plot.h"
  49 #include "gromacs/options/timeunitmanager.h"
  50 #include "gromacs/trajectoryanalysis/analysissettings.h"
  51
  52 namespace gmx
  53 {
  54
  55 class ICommandLineOptionsModuleSettings;
  56
  57 /*! \internal \brief
  58  * Private implementation class for TrajectoryAnalysisSettings.
  59  *
  60  * \ingroup module_trajectoryanalysis
  61  */
  62 class TrajectoryAnalysisSettings::Impl
  63 {
  64 public:
  65     //! Initializes the default values for the settings object.
  66     Impl() :
  67         timeUnit(TimeUnit_Default),
  68         flags(0),
  69         frflags(0),
  70         bRmPBC(true),
  71         bPBC(true),
  72         optionsModuleSettings_(nullptr)
  73     {
  74     }
  75
  76     //! Global time unit setting for the analysis module.
  77     TimeUnit timeUnit;
  78     //! Global plotting settings for the analysis module.
  79     AnalysisDataPlotSettings plotSettings;
  80     //! Flags for the analysis module.
  81     unsigned long flags;
  82     //! Frame reading flags for the analysis module.
  83     int frflags;
  84
  85     //! Whether to make molecules whole for each frame.
  86     bool bRmPBC;
  87     //! Whether to pass PBC information to the analysis module.
  88     bool bPBC;
  89
  90     //! Lower-level settings object wrapped by these settings.
  91     ICommandLineOptionsModuleSettings* optionsModuleSettings_;
  92 };
  93
  94 } // namespace gmx
  95
  96 #endif