/*
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*
- * This source code is part of
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*
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*
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*/
/*! \internal \file
* \brief
* Implements gmx::TimeUnitManager.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_options
*/
-#include "gromacs/options/timeunitmanager.h"
+#include "gmxpre.h"
+
+#include "timeunitmanager.h"
+
+#include <cstdlib>
+
+#include <algorithm>
-#include "gromacs/options/basicoptioninfo.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/options.h"
#include "gromacs/options/optionsvisitor.h"
+#include "gromacs/utility/arrayref.h"
+#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
+#include "gromacs/utility/stringutil.h"
-namespace gmx
+namespace
{
-// These must correspond to the TimeUnit enum in the header!
-static const char *const g_timeUnits[] = {
- "fs", "ps", "ns", "us", "ms", "s", NULL
+/*! \brief
+ * Enum values for a time unit.
+ *
+ * These must correspond to the TimeUnit enum in the header!
+ */
+const char *const g_timeUnits[] = {
+ "fs", "ps", "ns", "us", "ms", "s"
};
-static const double g_timeScaleFactors[] = {
+/*! \brief
+ * Scaling factors from each time unit to internal units (=picoseconds).
+ *
+ * These must correspond to the TimeUnit enum in the header!
+ */
+const double g_timeScaleFactors[] = {
1e-3, 1, 1e3, 1e6, 1e9, 1e12
};
+} // namespace
+
+namespace gmx
+{
+
TimeUnitManager::TimeUnitManager()
: timeUnit_(eTimeUnit_ps)
{
double TimeUnitManager::timeScaleFactor() const
{
GMX_RELEASE_ASSERT(timeUnit_ >= 0
- && (size_t)timeUnit_ < sizeof(g_timeScaleFactors)/sizeof(g_timeScaleFactors[0]),
- "Time unit index has become out-of-range");
+ && (size_t)timeUnit_ < sizeof(g_timeScaleFactors)/sizeof(g_timeScaleFactors[0]),
+ "Time unit index has become out-of-range");
return g_timeScaleFactors[timeUnit_];
}
return 1.0 / timeScaleFactor();
}
+void TimeUnitManager::setTimeUnitFromEnvironment()
+{
+ const char *const value = std::getenv("GMXTIMEUNIT");
+ if (value != NULL)
+ {
+ ConstArrayRef<const char *> timeUnits(g_timeUnits);
+ ConstArrayRef<const char *>::const_iterator i =
+ std::find(timeUnits.begin(), timeUnits.end(), std::string(value));
+ if (i == timeUnits.end())
+ {
+ std::string message = formatString(
+ "Time unit provided with environment variable GMXTIMEUNIT=%s "
+ "is not recognized as a valid time unit.\n"
+ "Possible values are: %s",
+ value, joinStrings(timeUnits, ", ").c_str());
+ GMX_THROW(InvalidInputError(message));
+ }
+ timeUnit_ = i - timeUnits.begin();
+ }
+}
+
void TimeUnitManager::addTimeUnitOption(Options *options, const char *name)
{
options->addOption(StringOption(name).enumValue(g_timeUnits)
/*! \internal \brief
* Option visitor that scales time options.
*
+ * \tparam FloatingPointOptionInfo OptionInfo type for an option that provides
+ * isTime() and setScaleFactor() methods.
+ *
* \ingroup module_options
*/
-class TimeOptionScaler : public OptionsModifyingTypeVisitor<DoubleOptionInfo>
+template <class FloatingPointOptionInfo>
+class TimeOptionScaler : public OptionsModifyingTypeVisitor<FloatingPointOptionInfo>
{
public:
//! Initializes a scaler with the given factor.
iterator.acceptOptions(this);
}
- void visitOptionType(DoubleOptionInfo *option)
+ void visitOptionType(FloatingPointOptionInfo *option)
{
if (option->isTime())
{
double factor_;
};
-} // namespace
+} // namespace
void TimeUnitManager::scaleTimeOptions(Options *options) const
{
double factor = timeScaleFactor();
- TimeOptionScaler(factor).visitSubSection(options);
+ TimeOptionScaler<DoubleOptionInfo>(factor).visitSubSection(options);
+ TimeOptionScaler<FloatOptionInfo>(factor).visitSubSection(options);
}
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff