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38 * Implements classes in analysissettings.h.
40 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_trajectoryanalysis
45 #include "analysissettings.h"
47 #include "gromacs/commandline/cmdlineoptionsmodule.h"
48 #include "gromacs/fileio/trxio.h"
49 #include "gromacs/utility/arrayref.h"
50 #include "gromacs/utility/gmxassert.h"
52 #include "analysissettings_impl.h"
58 /********************************************************************
59 * TrajectoryAnalysisSettings
62 TrajectoryAnalysisSettings::TrajectoryAnalysisSettings() : impl_(new Impl)
64 impl_->frflags |= TRX_NEED_X;
68 TrajectoryAnalysisSettings::~TrajectoryAnalysisSettings() {}
71 void TrajectoryAnalysisSettings::setOptionsModuleSettings(ICommandLineOptionsModuleSettings* settings)
73 impl_->optionsModuleSettings_ = settings;
77 TimeUnit TrajectoryAnalysisSettings::timeUnit() const
79 return impl_->timeUnit;
83 const AnalysisDataPlotSettings& TrajectoryAnalysisSettings::plotSettings() const
85 return impl_->plotSettings;
89 unsigned long TrajectoryAnalysisSettings::flags() const
95 bool TrajectoryAnalysisSettings::hasFlag(unsigned long flag) const
97 return (impl_->flags & flag) != 0U;
101 bool TrajectoryAnalysisSettings::hasPBC() const
107 bool TrajectoryAnalysisSettings::hasRmPBC() const
109 return impl_->bRmPBC;
113 int TrajectoryAnalysisSettings::frflags() const
115 return impl_->frflags;
119 void TrajectoryAnalysisSettings::setFlags(unsigned long flags)
121 impl_->flags = flags;
125 void TrajectoryAnalysisSettings::setFlag(unsigned long flag, bool bSet)
129 impl_->flags |= flag;
133 impl_->flags &= ~flag;
138 void TrajectoryAnalysisSettings::setPBC(bool bPBC)
144 void TrajectoryAnalysisSettings::setRmPBC(bool bRmPBC)
146 impl_->bRmPBC = bRmPBC;
150 void TrajectoryAnalysisSettings::setFrameFlags(int frflags)
152 impl_->frflags = frflags;
155 void TrajectoryAnalysisSettings::setHelpText(const ArrayRef<const char* const>& help)
157 GMX_RELEASE_ASSERT(impl_->optionsModuleSettings_ != nullptr,
158 "setHelpText() called in invalid context");
159 impl_->optionsModuleSettings_->setHelpText(help);