src/gromacs/trajectoryanalysis/analysissettings.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements classes in analysissettings.h.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_trajectoryanalysis
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "analysissettings.h"
  45
  46 #include "gromacs/commandline/cmdlineoptionsmodule.h"
  47 #include "gromacs/fileio/trxio.h"
  48 #include "gromacs/utility/arrayref.h"
  49 #include "gromacs/utility/gmxassert.h"
  50
  51 #include "analysissettings-impl.h"
  52
  53 namespace gmx
  54 {
  55
  56
  57 /********************************************************************
  58  * TrajectoryAnalysisSettings
  59  */
  60
  61 TrajectoryAnalysisSettings::TrajectoryAnalysisSettings()
  62     : impl_(new Impl)
  63 {
  64     impl_->frflags |= TRX_NEED_X;
  65 }
  66
  67
  68 TrajectoryAnalysisSettings::~TrajectoryAnalysisSettings()
  69 {
  70 }
  71
  72
  73 void TrajectoryAnalysisSettings::setOptionsModuleSettings(
  74         ICommandLineOptionsModuleSettings *settings)
  75 {
  76     impl_->optionsModuleSettings_ = settings;
  77 }
  78
  79
  80 TimeUnit
  81 TrajectoryAnalysisSettings::timeUnit() const
  82 {
  83     return impl_->timeUnit;
  84 }
  85
  86
  87 const AnalysisDataPlotSettings &
  88 TrajectoryAnalysisSettings::plotSettings() const
  89 {
  90     return impl_->plotSettings;
  91 }
  92
  93
  94 unsigned long
  95 TrajectoryAnalysisSettings::flags() const
  96 {
  97     return impl_->flags;
  98 }
  99
 100
 101 bool
 102 TrajectoryAnalysisSettings::hasFlag(unsigned long flag) const
 103 {
 104     return (impl_->flags & flag) != 0u;
 105 }
 106
 107
 108 bool
 109 TrajectoryAnalysisSettings::hasPBC() const
 110 {
 111     return impl_->bPBC;
 112 }
 113
 114
 115 bool
 116 TrajectoryAnalysisSettings::hasRmPBC() const
 117 {
 118     return impl_->bRmPBC;
 119 }
 120
 121
 122 int
 123 TrajectoryAnalysisSettings::frflags() const
 124 {
 125     return impl_->frflags;
 126 }
 127
 128
 129 void
 130 TrajectoryAnalysisSettings::setFlags(unsigned long flags)
 131 {
 132     impl_->flags = flags;
 133 }
 134
 135
 136 void
 137 TrajectoryAnalysisSettings::setFlag(unsigned long flag, bool bSet)
 138 {
 139     if (bSet)
 140     {
 141         impl_->flags |= flag;
 142     }
 143     else
 144     {
 145         impl_->flags &= ~flag;
 146     }
 147 }
 148
 149
 150 void
 151 TrajectoryAnalysisSettings::setPBC(bool bPBC)
 152 {
 153     impl_->bPBC = bPBC;
 154 }
 155
 156
 157 void
 158 TrajectoryAnalysisSettings::setRmPBC(bool bRmPBC)
 159 {
 160     impl_->bRmPBC = bRmPBC;
 161 }
 162
 163
 164 void
 165 TrajectoryAnalysisSettings::setFrameFlags(int frflags)
 166 {
 167     impl_->frflags = frflags;
 168 }
 169
 170 void
 171 TrajectoryAnalysisSettings::setHelpText(const ArrayRef<const char *const> &help)
 172 {
 173     GMX_RELEASE_ASSERT(impl_->optionsModuleSettings_ != nullptr,
 174                        "setHelpText() called in invalid context");
 175     impl_->optionsModuleSettings_->setHelpText(help);
 176 }
 177
 178 } // namespace gmx