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37 * Implements gmx::TimeUnitManager.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_options
42 #include "gromacs/options/timeunitmanager.h"
48 #include "gromacs/options/basicoptions.h"
49 #include "gromacs/options/options.h"
50 #include "gromacs/options/optionsvisitor.h"
51 #include "gromacs/utility/arrayref.h"
52 #include "gromacs/utility/exceptions.h"
53 #include "gromacs/utility/gmxassert.h"
54 #include "gromacs/utility/stringutil.h"
60 * Enum values for a time unit.
62 * These must correspond to the TimeUnit enum in the header!
64 const char *const g_timeUnits[] = {
65 "fs", "ps", "ns", "us", "ms", "s"
68 * Scaling factors from each time unit to internal units (=picoseconds).
70 * These must correspond to the TimeUnit enum in the header!
72 const double g_timeScaleFactors[] = {
73 1e-3, 1, 1e3, 1e6, 1e9, 1e12
81 TimeUnitManager::TimeUnitManager()
82 : timeUnit_(eTimeUnit_ps)
86 TimeUnitManager::TimeUnitManager(TimeUnit unit)
91 void TimeUnitManager::setTimeUnit(TimeUnit unit)
93 GMX_RELEASE_ASSERT(unit >= 0 && unit <= eTimeUnit_s,
98 const char *TimeUnitManager::timeUnitAsString() const
100 GMX_RELEASE_ASSERT(timeUnit_ >= 0 && timeUnit_ <= eTimeUnit_s,
101 "Invalid time unit");
102 return g_timeUnits[timeUnit_];
105 double TimeUnitManager::timeScaleFactor() const
107 GMX_RELEASE_ASSERT(timeUnit_ >= 0
108 && (size_t)timeUnit_ < sizeof(g_timeScaleFactors)/sizeof(g_timeScaleFactors[0]),
109 "Time unit index has become out-of-range");
110 return g_timeScaleFactors[timeUnit_];
113 double TimeUnitManager::inverseTimeScaleFactor() const
115 return 1.0 / timeScaleFactor();
118 void TimeUnitManager::setTimeUnitFromEnvironment()
120 const char *const value = std::getenv("GMXTIMEUNIT");
123 ConstArrayRef<const char *> timeUnits(g_timeUnits);
124 ConstArrayRef<const char *>::const_iterator i =
125 std::find(timeUnits.begin(), timeUnits.end(), std::string(value));
126 if (i == timeUnits.end())
128 std::string message = formatString(
129 "Time unit provided with environment variable GMXTIMEUNIT=%s "
130 "is not recognized as a valid time unit.\n"
131 "Possible values are: %s",
132 value, joinStrings(timeUnits, ", ").c_str());
133 GMX_THROW(InvalidInputError(message));
135 timeUnit_ = i - timeUnits.begin();
139 void TimeUnitManager::addTimeUnitOption(Options *options, const char *name)
141 options->addOption(StringOption(name).enumValue(g_timeUnits)
142 .defaultValue(g_timeUnits[timeUnit()])
143 .storeEnumIndex(&timeUnit_)
144 .description("Unit for time values"));
151 * Option visitor that scales time options.
153 * \tparam FloatingPointOptionInfo OptionInfo type for an option that provides
154 * isTime() and setScaleFactor() methods.
156 * \ingroup module_options
158 template <class FloatingPointOptionInfo>
159 class TimeOptionScaler : public OptionsModifyingTypeVisitor<FloatingPointOptionInfo>
162 //! Initializes a scaler with the given factor.
163 explicit TimeOptionScaler(double factor) : factor_(factor) {}
165 void visitSubSection(Options *section)
167 OptionsModifyingIterator iterator(section);
168 iterator.acceptSubSections(this);
169 iterator.acceptOptions(this);
172 void visitOptionType(FloatingPointOptionInfo *option)
174 if (option->isTime())
176 option->setScaleFactor(factor_);
186 void TimeUnitManager::scaleTimeOptions(Options *options) const
188 double factor = timeScaleFactor();
189 TimeOptionScaler<DoubleOptionInfo>(factor).visitSubSection(options);
190 TimeOptionScaler<FloatOptionInfo>(factor).visitSubSection(options);