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37 * Implements gmx::TimeUnitManager.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_options
44 #include "gromacs/options/timeunitmanager.h"
50 #include "gromacs/options/basicoptions.h"
51 #include "gromacs/options/options.h"
52 #include "gromacs/options/optionsvisitor.h"
53 #include "gromacs/utility/arrayref.h"
54 #include "gromacs/utility/exceptions.h"
55 #include "gromacs/utility/gmxassert.h"
56 #include "gromacs/utility/stringutil.h"
62 * Enum values for a time unit.
64 * These must correspond to the TimeUnit enum in the header!
66 const char *const g_timeUnits[] = {
67 "fs", "ps", "ns", "us", "ms", "s"
70 * Scaling factors from each time unit to internal units (=picoseconds).
72 * These must correspond to the TimeUnit enum in the header!
74 const double g_timeScaleFactors[] = {
75 1e-3, 1, 1e3, 1e6, 1e9, 1e12
83 TimeUnitManager::TimeUnitManager()
84 : timeUnit_(eTimeUnit_ps)
88 TimeUnitManager::TimeUnitManager(TimeUnit unit)
93 void TimeUnitManager::setTimeUnit(TimeUnit unit)
95 GMX_RELEASE_ASSERT(unit >= 0 && unit <= eTimeUnit_s,
100 const char *TimeUnitManager::timeUnitAsString() const
102 GMX_RELEASE_ASSERT(timeUnit_ >= 0 && timeUnit_ <= eTimeUnit_s,
103 "Invalid time unit");
104 return g_timeUnits[timeUnit_];
107 double TimeUnitManager::timeScaleFactor() const
109 GMX_RELEASE_ASSERT(timeUnit_ >= 0
110 && (size_t)timeUnit_ < sizeof(g_timeScaleFactors)/sizeof(g_timeScaleFactors[0]),
111 "Time unit index has become out-of-range");
112 return g_timeScaleFactors[timeUnit_];
115 double TimeUnitManager::inverseTimeScaleFactor() const
117 return 1.0 / timeScaleFactor();
120 void TimeUnitManager::setTimeUnitFromEnvironment()
122 const char *const value = std::getenv("GMXTIMEUNIT");
125 ConstArrayRef<const char *> timeUnits(g_timeUnits);
126 ConstArrayRef<const char *>::const_iterator i =
127 std::find(timeUnits.begin(), timeUnits.end(), std::string(value));
128 if (i == timeUnits.end())
130 std::string message = formatString(
131 "Time unit provided with environment variable GMXTIMEUNIT=%s "
132 "is not recognized as a valid time unit.\n"
133 "Possible values are: %s",
134 value, joinStrings(timeUnits, ", ").c_str());
135 GMX_THROW(InvalidInputError(message));
137 timeUnit_ = i - timeUnits.begin();
141 void TimeUnitManager::addTimeUnitOption(Options *options, const char *name)
143 options->addOption(StringOption(name).enumValue(g_timeUnits)
144 .defaultValue(g_timeUnits[timeUnit()])
145 .storeEnumIndex(&timeUnit_)
146 .description("Unit for time values"));
153 * Option visitor that scales time options.
155 * \tparam FloatingPointOptionInfo OptionInfo type for an option that provides
156 * isTime() and setScaleFactor() methods.
158 * \ingroup module_options
160 template <class FloatingPointOptionInfo>
161 class TimeOptionScaler : public OptionsModifyingTypeVisitor<FloatingPointOptionInfo>
164 //! Initializes a scaler with the given factor.
165 explicit TimeOptionScaler(double factor) : factor_(factor) {}
167 void visitSubSection(Options *section)
169 OptionsModifyingIterator iterator(section);
170 iterator.acceptSubSections(this);
171 iterator.acceptOptions(this);
174 void visitOptionType(FloatingPointOptionInfo *option)
176 if (option->isTime())
178 option->setScaleFactor(factor_);
188 void TimeUnitManager::scaleTimeOptions(Options *options) const
190 double factor = timeScaleFactor();
191 TimeOptionScaler<DoubleOptionInfo>(factor).visitSubSection(options);
192 TimeOptionScaler<FloatOptionInfo>(factor).visitSubSection(options);