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37 * Implements gmx::TimeUnitManager.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_options
44 #include "timeunitmanager.h"
50 #include "gromacs/options/basicoptions.h"
51 #include "gromacs/options/ioptionscontainer.h"
52 #include "gromacs/options/options.h"
53 #include "gromacs/options/optionsvisitor.h"
54 #include "gromacs/utility/arrayref.h"
55 #include "gromacs/utility/exceptions.h"
56 #include "gromacs/utility/gmxassert.h"
57 #include "gromacs/utility/stringutil.h"
63 * Enum values for a time unit.
65 * These must correspond to the TimeUnit enum in the header!
67 const char *const g_timeUnits[] = {
68 "fs", "ps", "ns", "us", "ms", "s"
71 * Scaling factors from each time unit to internal units (=picoseconds).
73 * These must correspond to the TimeUnit enum in the header!
75 const double g_timeScaleFactors[] = {
76 1e-3, 1, 1e3, 1e6, 1e9, 1e12
84 TimeUnitManager::TimeUnitManager()
85 : timeUnit_(TimeUnit_Default)
89 TimeUnitManager::TimeUnitManager(TimeUnit unit)
92 GMX_RELEASE_ASSERT(unit >= 0 && unit <= TimeUnit_s,
96 void TimeUnitManager::setTimeUnit(TimeUnit unit)
98 GMX_RELEASE_ASSERT(unit >= 0 && unit <= TimeUnit_s,
103 const char *TimeUnitManager::timeUnitAsString() const
105 GMX_RELEASE_ASSERT(timeUnit_ >= 0 && timeUnit_ <= TimeUnit_s,
106 "Invalid time unit");
107 return g_timeUnits[timeUnit_];
110 double TimeUnitManager::timeScaleFactor() const
112 GMX_RELEASE_ASSERT(timeUnit_ >= 0
113 && static_cast<size_t>(timeUnit_) < sizeof(g_timeScaleFactors)/sizeof(g_timeScaleFactors[0]),
114 "Time unit index has become out-of-range");
115 return g_timeScaleFactors[timeUnit_];
118 double TimeUnitManager::inverseTimeScaleFactor() const
120 return 1.0 / timeScaleFactor();
123 /********************************************************************
127 TimeUnitBehavior::TimeUnitBehavior()
128 : timeUnit_(TimeUnit_Default), timeUnitStore_(nullptr)
132 void TimeUnitBehavior::setTimeUnit(TimeUnit unit)
134 GMX_RELEASE_ASSERT(unit >= 0 && unit <= TimeUnit_s,
135 "Invalid time unit");
137 if (timeUnitStore_ != nullptr)
139 *timeUnitStore_ = unit;
143 void TimeUnitBehavior::setTimeUnitStore(TimeUnit *store)
145 timeUnitStore_ = store;
149 void TimeUnitBehavior::setTimeUnitFromEnvironment()
151 const char *const value = std::getenv("GMXTIMEUNIT");
152 if (value != nullptr)
154 ArrayRef<const char *const> timeUnits(g_timeUnits);
155 ArrayRef<const char *const>::const_iterator i =
156 std::find(timeUnits.begin(), timeUnits.end(), std::string(value));
157 if (i == timeUnits.end())
159 std::string message = formatString(
160 "Time unit provided with environment variable GMXTIMEUNIT=%s "
161 "is not recognized as a valid time unit.\n"
162 "Possible values are: %s",
163 value, joinStrings(timeUnits, ", ").c_str());
164 GMX_THROW(InvalidInputError(message));
166 setTimeUnit(static_cast<TimeUnit>(i - timeUnits.begin()));
170 void TimeUnitBehavior::addTimeUnitOption(IOptionsContainer *options, const char *name)
172 options->addOption(EnumOption<TimeUnit>(name).enumValue(g_timeUnits)
174 .description("Unit for time values"));
181 * Option visitor that scales time options.
183 * \tparam FloatingPointOptionInfo OptionInfo type for an option that provides
184 * isTime() and setScaleFactor() methods.
186 * \ingroup module_options
188 template <class FloatingPointOptionInfo>
189 class TimeOptionScaler : public OptionsModifyingTypeVisitor<FloatingPointOptionInfo>
192 //! Initializes a scaler with the given factor.
193 explicit TimeOptionScaler(double factor) : factor_(factor) {}
195 void visitSection(OptionSectionInfo *section) override
197 OptionsModifyingIterator iterator(section);
198 iterator.acceptSections(this);
199 iterator.acceptOptions(this);
202 void visitOptionType(FloatingPointOptionInfo *option) override
204 if (option->isTime())
206 option->setScaleFactor(factor_);
216 void TimeUnitBehavior::optionsFinishing(Options *options)
218 double factor = TimeUnitManager(timeUnit()).timeScaleFactor();
219 TimeOptionScaler<DoubleOptionInfo>(factor).visitSection(&options->rootSection());
220 TimeOptionScaler<FloatOptionInfo>(factor).visitSection(&options->rootSection());
221 if (timeUnitStore_ != nullptr)
223 *timeUnitStore_ = static_cast<TimeUnit>(timeUnit_);