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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[] = { "fs", "ps", "ns", "us", "ms", "s" };
69 * Scaling factors from each time unit to internal units (=picoseconds).
71 * These must correspond to the TimeUnit enum in the header!
73 const double g_timeScaleFactors[] = { 1e-3, 1, 1e3, 1e6, 1e9, 1e12 };
80 TimeUnitManager::TimeUnitManager() : timeUnit_(TimeUnit_Default) {}
82 TimeUnitManager::TimeUnitManager(TimeUnit unit) : timeUnit_(unit)
84 GMX_RELEASE_ASSERT(unit >= 0 && unit <= TimeUnit_s, "Invalid time unit");
87 void TimeUnitManager::setTimeUnit(TimeUnit unit)
89 GMX_RELEASE_ASSERT(unit >= 0 && unit <= TimeUnit_s, "Invalid time unit");
93 const char* TimeUnitManager::timeUnitAsString() const
95 GMX_RELEASE_ASSERT(timeUnit_ >= 0 && timeUnit_ <= TimeUnit_s, "Invalid time unit");
96 return g_timeUnits[timeUnit_];
99 double TimeUnitManager::timeScaleFactor() const
101 GMX_RELEASE_ASSERT(timeUnit_ >= 0
102 && static_cast<size_t>(timeUnit_)
103 < sizeof(g_timeScaleFactors) / sizeof(g_timeScaleFactors[0]),
104 "Time unit index has become out-of-range");
105 return g_timeScaleFactors[timeUnit_];
108 double TimeUnitManager::inverseTimeScaleFactor() const
110 return 1.0 / timeScaleFactor();
113 /********************************************************************
117 TimeUnitBehavior::TimeUnitBehavior() : timeUnit_(TimeUnit_Default), timeUnitStore_(nullptr) {}
119 void TimeUnitBehavior::setTimeUnit(TimeUnit unit)
121 GMX_RELEASE_ASSERT(unit >= 0 && unit <= TimeUnit_s, "Invalid time unit");
123 if (timeUnitStore_ != nullptr)
125 *timeUnitStore_ = unit;
129 void TimeUnitBehavior::setTimeUnitStore(TimeUnit* store)
131 timeUnitStore_ = store;
135 void TimeUnitBehavior::setTimeUnitFromEnvironment()
137 const char* const value = std::getenv("GMXTIMEUNIT");
138 if (value != nullptr)
140 ArrayRef<const char* const> timeUnits(g_timeUnits);
141 ArrayRef<const char* const>::const_iterator i =
142 std::find(timeUnits.begin(), timeUnits.end(), std::string(value));
143 if (i == timeUnits.end())
145 std::string message = formatString(
146 "Time unit provided with environment variable GMXTIMEUNIT=%s "
147 "is not recognized as a valid time unit.\n"
148 "Possible values are: %s",
149 value, joinStrings(timeUnits, ", ").c_str());
150 GMX_THROW(InvalidInputError(message));
152 setTimeUnit(static_cast<TimeUnit>(i - timeUnits.begin()));
156 void TimeUnitBehavior::addTimeUnitOption(IOptionsContainer* options, const char* name)
159 EnumOption<TimeUnit>(name).enumValue(g_timeUnits).store(&timeUnit_).description("Unit for time values"));
166 * Option visitor that scales time options.
168 * \tparam FloatingPointOptionInfo OptionInfo type for an option that provides
169 * isTime() and setScaleFactor() methods.
171 * \ingroup module_options
173 template<class FloatingPointOptionInfo>
174 class TimeOptionScaler : public OptionsModifyingTypeVisitor<FloatingPointOptionInfo>
177 //! Initializes a scaler with the given factor.
178 explicit TimeOptionScaler(double factor) : factor_(factor) {}
180 void visitSection(OptionSectionInfo* section) override
182 OptionsModifyingIterator iterator(section);
183 iterator.acceptSections(this);
184 iterator.acceptOptions(this);
187 void visitOptionType(FloatingPointOptionInfo* option) override
189 if (option->isTime())
191 option->setScaleFactor(factor_);
201 void TimeUnitBehavior::optionsFinishing(Options* options)
203 double factor = TimeUnitManager(timeUnit()).timeScaleFactor();
204 TimeOptionScaler<DoubleOptionInfo>(factor).visitSection(&options->rootSection());
205 TimeOptionScaler<FloatOptionInfo>(factor).visitSection(&options->rootSection());
206 if (timeUnitStore_ != nullptr)
208 *timeUnitStore_ = static_cast<TimeUnit>(timeUnit_);