3 * This source code is part of
7 * GROningen MAchine for Chemical Simulations
9 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
10 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
11 * Copyright (c) 2001-2009, The GROMACS development team,
12 * check out http://www.gromacs.org for more information.
14 * This program is free software; you can redistribute it and/or
15 * modify it under the terms of the GNU General Public License
16 * as published by the Free Software Foundation; either version 2
17 * of the License, or (at your option) any later version.
19 * If you want to redistribute modifications, please consider that
20 * scientific software is very special. Version control is crucial -
21 * bugs must be traceable. We will be happy to consider code for
22 * inclusion in the official distribution, but derived work must not
23 * be called official GROMACS. Details are found in the README & COPYING
24 * files - if they are missing, get the official version at www.gromacs.org.
26 * To help us fund GROMACS development, we humbly ask that you cite
27 * the papers on the package - you can find them in the top README file.
29 * For more info, check our website at http://www.gromacs.org
33 * Implements gmx::TimeUnitManager.
35 * \author Teemu Murtola <teemu.murtola@cbr.su.se>
36 * \ingroup module_options
38 #include "gromacs/options/timeunitmanager.h"
40 #include "gromacs/options/basicoptions.h"
41 #include "gromacs/options/options.h"
42 #include "gromacs/options/optionsvisitor.h"
43 #include "gromacs/utility/gmxassert.h"
49 * Enum values for a time unit.
51 * These must correspond to the TimeUnit enum in the header!
53 const char *const g_timeUnits[] = {
54 "fs", "ps", "ns", "us", "ms", "s", NULL
57 * Scaling factors from each time unit to internal units (=picoseconds).
59 * These must correspond to the TimeUnit enum in the header!
61 const double g_timeScaleFactors[] = {
62 1e-3, 1, 1e3, 1e6, 1e9, 1e12
70 TimeUnitManager::TimeUnitManager()
71 : timeUnit_(eTimeUnit_ps)
75 TimeUnitManager::TimeUnitManager(TimeUnit unit)
80 void TimeUnitManager::setTimeUnit(TimeUnit unit)
82 GMX_RELEASE_ASSERT(unit >= 0 && unit <= eTimeUnit_s,
87 const char *TimeUnitManager::timeUnitAsString() const
89 GMX_RELEASE_ASSERT(timeUnit_ >= 0 && timeUnit_ <= eTimeUnit_s,
91 return g_timeUnits[timeUnit_];
94 double TimeUnitManager::timeScaleFactor() const
96 GMX_RELEASE_ASSERT(timeUnit_ >= 0
97 && (size_t)timeUnit_ < sizeof(g_timeScaleFactors)/sizeof(g_timeScaleFactors[0]),
98 "Time unit index has become out-of-range");
99 return g_timeScaleFactors[timeUnit_];
102 double TimeUnitManager::inverseTimeScaleFactor() const
104 return 1.0 / timeScaleFactor();
107 void TimeUnitManager::addTimeUnitOption(Options *options, const char *name)
109 options->addOption(StringOption(name).enumValue(g_timeUnits)
110 .defaultValue(g_timeUnits[timeUnit()])
111 .storeEnumIndex(&timeUnit_)
112 .description("Unit for time values"));
119 * Option visitor that scales time options.
121 * \ingroup module_options
123 class TimeOptionScaler : public OptionsModifyingTypeVisitor<DoubleOptionInfo>
126 //! Initializes a scaler with the given factor.
127 explicit TimeOptionScaler(double factor) : factor_(factor) {}
129 void visitSubSection(Options *section)
131 OptionsModifyingIterator iterator(section);
132 iterator.acceptSubSections(this);
133 iterator.acceptOptions(this);
136 void visitOptionType(DoubleOptionInfo *option)
138 if (option->isTime())
140 option->setScaleFactor(factor_);
150 void TimeUnitManager::scaleTimeOptions(Options *options) const
152 double factor = timeScaleFactor();
153 TimeOptionScaler(factor).visitSubSection(options);