2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2012,2014,2015,2018,2019,2020,2021, 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
48 #include "gromacs/fileio/oenv.h"
49 #include "gromacs/options/ioptionsbehavior.h"
50 #include "gromacs/utility/classhelpers.h"
55 class IOptionsContainer;
59 * Provides common functionality for time unit conversions.
61 * Methods/objects that need to deal with time units can either take a
62 * TimeUnitManager object, or they can take a TimeUnit value and construct a
63 * TimeUnitManager object internally.
65 * Default copy constructor and assignment are used: the copy is an independent
66 * object that is initialized with the same time unit as the original.
70 * This class is independent of the options implementation.
71 * To ease reuse, it could be moved to the utility module, and only
72 * TimeUnitBehavior left here.
76 * \ingroup module_options
81 //! Creates a time unit manager with the default (ps) time unit.
83 //! Creates a time unit manager with the given time unit.
84 explicit TimeUnitManager(TimeUnit unit);
86 //! Returns the currently selected time unit.
87 TimeUnit timeUnit() const { return timeUnit_; }
88 //! Set a new time unit for the manager.
89 void setTimeUnit(TimeUnit unit);
91 //! Returns a string constant corresponding to the current time unit.
92 const char* timeUnitAsString() const;
94 //! Returns the scaling factor to convert times to ps.
95 double timeScaleFactor() const;
96 //! Returns the scaling factor to convert times from ps.
97 double inverseTimeScaleFactor() const;
100 //! Currently set time unit for this manager.
105 * Options behavior to add a time unit option.
107 * This class provides functionality to add a time unit option that affects the
108 * input unit for time options (specified with FloatOption::timeValue() or
109 * DoubleOption::timeValue()). When options are finished, it scales each time
110 * option such that any user-given values are interpreted as given in the time
111 * unit specified by the user, and scaled to picoseconds. Programmatically
112 * given values (e.g., as default values for the options) are not scaled.
115 * \ingroup module_options
117 class TimeUnitBehavior : public IOptionsBehavior
122 //! Returns the current time unit.
123 TimeUnit timeUnit() const { return timeUnit_; }
124 //! Sets the time unit.
125 void setTimeUnit(TimeUnit unit);
128 * Sets a storage location for the selected time unit.
130 * \param[in] store Location that will receive the selected time unit.
132 * \p *store will be set to the time unit selected by the user (or
133 * programmatically). The value is guaranteed to be set once the
134 * options have been finished.
136 void setTimeUnitStore(TimeUnit* store);
139 * Sets the default time unit from an environment variable.
141 * This should be called before addTimeUnitOption() for consistent
144 void setTimeUnitFromEnvironment();
146 * Adds a common option for selecting the time unit.
148 * \param[in,out] options Options to which the common option is added.
149 * \param[in] name Name of the option to add.
151 * Adds an enum option to \p options to select the time unit for this
154 void addTimeUnitOption(IOptionsContainer* options, const char* name);
156 // From IOptionsBehavior
157 void initBehavior(Options* /*options*/) override {}
158 void optionsFinishing(Options* options) override;
159 void optionsFinished() override {}
163 TimeUnit* timeUnitStore_;
165 GMX_DISALLOW_COPY_AND_ASSIGN(TimeUnitBehavior);