2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2012,2014, by the GROMACS development team, led by
5 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 * and including many others, as listed in the AUTHORS file in the
7 * top-level source directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
37 * Declares gmx::TimeUnitManager.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_options
43 #ifndef GMX_OPTIONS_TIMEUNITMANAGER_H
44 #define GMX_OPTIONS_TIMEUNITMANAGER_H
46 #include "../utility/gmxassert.h"
54 * Time values for TimeUnitManager.
57 * Currently, this should match with the time_unit_t enum defined in oenv.h
58 * except that there is no NULL first item in this enum.
65 eTimeUnit_fs, //!< Femtoseconds.
66 eTimeUnit_ps, //!< Picoseconds.
67 eTimeUnit_ns, //!< Nanoseconds.
68 eTimeUnit_us, //!< Microseconds.
69 eTimeUnit_ms, //!< Milliseconds.
70 eTimeUnit_s //!< Seconds.
74 * Provides common functionality for time unit conversions.
76 * Methods/objects that need to deal with time units can either take a
77 * TimeUnitManager object, or they can take a TimeUnit value and construct a
78 * TimeUnitManager object internally.
80 * Default copy constructor and assignment are used: the copy is an independent
81 * object that is initialized with the same time unit as the original.
85 * Most of this class is independent of the options implementation.
86 * To ease reuse, it could be split such that the generic part is moved to the
87 * utility module, and only the options-specific parts left in the options
92 * \ingroup module_options
97 //! Creates a time unit manager with the default (ps) time unit.
99 //! Creates a time unit manager with the given time unit.
100 explicit TimeUnitManager(TimeUnit unit);
102 //! Returns the currently selected time unit.
103 TimeUnit timeUnit() const
105 GMX_ASSERT(timeUnit_ >= 0 && timeUnit_ <= eTimeUnit_s,
106 "Time unit index has become out-of-range");
107 return static_cast<TimeUnit>(timeUnit_);
109 //! Set a new time unit for the manager.
110 void setTimeUnit(TimeUnit unit);
112 //! Returns a string constant corresponding to the current time unit.
113 const char *timeUnitAsString() const;
115 //! Returns the scaling factor to convert times to ps.
116 double timeScaleFactor() const;
117 //! Returns the scaling factor to convert times from ps.
118 double inverseTimeScaleFactor() const;
121 * Sets the time unit in this manager from an environment variable.
123 void setTimeUnitFromEnvironment();
125 * Adds a common option for selecting the time unit.
127 * \param[in,out] options Options to which the common option is added.
128 * \param[in] name Name of the option to add.
130 * Adds an enum option to \p options to select the time unit for this
133 void addTimeUnitOption(Options *options, const char *name);
135 * Scales user input values given to time options.
137 * \param[in,out] options Options in which to scale times.
139 * Scales each time option (see DoubleOption::timeValue()) in
140 * \p options such that any user-given values are interpreted as given
141 * in the time unit specified by this manager, and scaled to
142 * picoseconds. Programmatically given values (e.g., as default values
143 * for the options) are not scaled.
145 void scaleTimeOptions(Options *options) const;
149 * Currently set time unit for this manager.
151 * Type is int to make it possible to use it with
152 * StringOption::storeEnumIndex(), but it should always one of the
153 * allowed values for TimeUnit.