src/gromacs/options/timeunitmanager.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements gmx::TimeUnitManager.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_options
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "timeunitmanager.h"
  45
  46 #include <cstdlib>
  47
  48 #include <algorithm>
  49
  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"
  58
  59 namespace
  60 {
  61
  62 /*! \brief
  63  * Enum values for a time unit.
  64  *
  65  * These must correspond to the TimeUnit enum in the header!
  66  */
  67 const char *const g_timeUnits[] = {
  68     "fs", "ps", "ns", "us", "ms",  "s"
  69 };
  70 /*! \brief
  71  * Scaling factors from each time unit to internal units (=picoseconds).
  72  *
  73  * These must correspond to the TimeUnit enum in the header!
  74  */
  75 const double g_timeScaleFactors[] = {
  76     1e-3,    1,  1e3,  1e6,  1e9, 1e12
  77 };
  78
  79 } // namespace
  80
  81 namespace gmx
  82 {
  83
  84 TimeUnitManager::TimeUnitManager()
  85     : timeUnit_(TimeUnit_Default)
  86 {
  87 }
  88
  89 TimeUnitManager::TimeUnitManager(TimeUnit unit)
  90 {
  91     setTimeUnit(unit);
  92 }
  93
  94 void TimeUnitManager::setTimeUnit(TimeUnit unit)
  95 {
  96     GMX_RELEASE_ASSERT(unit >= 0 && unit <= TimeUnit_s,
  97                        "Invalid time unit");
  98     timeUnit_ = unit;
  99 }
 100
 101 const char *TimeUnitManager::timeUnitAsString() const
 102 {
 103     GMX_RELEASE_ASSERT(timeUnit_ >= 0 && timeUnit_ <= TimeUnit_s,
 104                        "Invalid time unit");
 105     return g_timeUnits[timeUnit_];
 106 }
 107
 108 double TimeUnitManager::timeScaleFactor() const
 109 {
 110     GMX_RELEASE_ASSERT(timeUnit_ >= 0
 111                        && (size_t)timeUnit_ < sizeof(g_timeScaleFactors)/sizeof(g_timeScaleFactors[0]),
 112                        "Time unit index has become out-of-range");
 113     return g_timeScaleFactors[timeUnit_];
 114 }
 115
 116 double TimeUnitManager::inverseTimeScaleFactor() const
 117 {
 118     return 1.0 / timeScaleFactor();
 119 }
 120
 121 /********************************************************************
 122  * TimeUnitBehavior
 123  */
 124
 125 TimeUnitBehavior::TimeUnitBehavior()
 126     : timeUnit_(TimeUnit_Default), timeUnitStore_(NULL)
 127 {
 128 }
 129
 130 void TimeUnitBehavior::setTimeUnit(TimeUnit timeUnit)
 131 {
 132     GMX_RELEASE_ASSERT(timeUnit >= 0 && timeUnit <= TimeUnit_s,
 133                        "Invalid time unit");
 134     timeUnit_ = timeUnit;
 135     if (timeUnitStore_ != NULL)
 136     {
 137         *timeUnitStore_ = timeUnit;
 138     }
 139 }
 140
 141 void TimeUnitBehavior::setTimeUnitStore(TimeUnit *store)
 142 {
 143     timeUnitStore_ = store;
 144     *store         = timeUnit();
 145 }
 146
 147 void TimeUnitBehavior::setTimeUnitFromEnvironment()
 148 {
 149     const char *const value = std::getenv("GMXTIMEUNIT");
 150     if (value != NULL)
 151     {
 152         ConstArrayRef<const char *>                 timeUnits(g_timeUnits);
 153         ConstArrayRef<const char *>::const_iterator i =
 154             std::find(timeUnits.begin(), timeUnits.end(), std::string(value));
 155         if (i == timeUnits.end())
 156         {
 157             std::string message = formatString(
 158                         "Time unit provided with environment variable GMXTIMEUNIT=%s "
 159                         "is not recognized as a valid time unit.\n"
 160                         "Possible values are: %s",
 161                         value, joinStrings(timeUnits, ", ").c_str());
 162             GMX_THROW(InvalidInputError(message));
 163         }
 164         setTimeUnit(static_cast<TimeUnit>(i - timeUnits.begin()));
 165     }
 166 }
 167
 168 void TimeUnitBehavior::addTimeUnitOption(IOptionsContainer *options, const char *name)
 169 {
 170     options->addOption(StringOption(name).enumValue(g_timeUnits)
 171                            .defaultValue(g_timeUnits[timeUnit()])
 172                            .storeEnumIndex(&timeUnit_)
 173                            .description("Unit for time values"));
 174 }
 175
 176 namespace
 177 {
 178
 179 /*! \internal \brief
 180  * Option visitor that scales time options.
 181  *
 182  * \tparam FloatingPointOptionInfo  OptionInfo type for an option that provides
 183  *     isTime() and setScaleFactor() methods.
 184  *
 185  * \ingroup module_options
 186  */
 187 template <class FloatingPointOptionInfo>
 188 class TimeOptionScaler : public OptionsModifyingTypeVisitor<FloatingPointOptionInfo>
 189 {
 190     public:
 191         //! Initializes a scaler with the given factor.
 192         explicit TimeOptionScaler(double factor) : factor_(factor) {}
 193
 194         void visitSubSection(Options *section)
 195         {
 196             OptionsModifyingIterator iterator(section);
 197             iterator.acceptSubSections(this);
 198             iterator.acceptOptions(this);
 199         }
 200
 201         void visitOptionType(FloatingPointOptionInfo *option)
 202         {
 203             if (option->isTime())
 204             {
 205                 option->setScaleFactor(factor_);
 206             }
 207         }
 208
 209     private:
 210         double                  factor_;
 211 };
 212
 213 }   // namespace
 214
 215 void TimeUnitBehavior::optionsFinishing(Options *options)
 216 {
 217     double factor = TimeUnitManager(timeUnit()).timeScaleFactor();
 218     TimeOptionScaler<DoubleOptionInfo>(factor).visitSubSection(options);
 219     TimeOptionScaler<FloatOptionInfo>(factor).visitSubSection(options);
 220     if (timeUnitStore_ != NULL)
 221     {
 222         *timeUnitStore_ = static_cast<TimeUnit>(timeUnit_);
 223     }
 224 }
 225
 226 } // namespace gmx