src/gromacs/trajectoryanalysis/analysissettings-impl.h

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