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 * Declares option settings objects for basic option types.
35 * Together with options.h, this header forms the part of the public API
36 * that most classes will use to provide options.
38 * \author Teemu Murtola <teemu.murtola@cbr.su.se>
40 * \ingroup module_options
42 #ifndef GMX_OPTIONS_BASICOPTIONS_H
43 #define GMX_OPTIONS_BASICOPTIONS_H
47 #include "../utility/gmxassert.h"
49 #include "abstractoption.h"
54 class IntegerOptionStorage;
55 class DoubleOptionStorage;
56 class StringOptionStorage;
58 /*! \addtogroup module_options
63 * Specifies an option that provides boolean values.
68 using gmx::BooleanOption;
69 options.addOption(BooleanOption("pbc").store(&bPBC));
72 * Public methods in this class do not throw.
76 class BooleanOption : public OptionTemplate<bool, BooleanOption>
79 //! Initializes an option with the given name.
80 explicit BooleanOption(const char *name) : MyBase(name) {}
83 //! Creates a BooleanOptionStorage object.
84 virtual AbstractOptionStoragePointer createStorage() const;
88 * Specifies an option that provides integer values.
92 using gmx::IntegerOption;
95 options.addOption(IntegerOption("rcut").store(&rcut));
96 // Vector-valued option
97 int box[3] = {1, 1, 1}; // Default value
98 options.addOption(IntegerOption("box").store(box).vector());
101 * Public methods in this class do not throw.
105 class IntegerOption : public OptionTemplate<int, IntegerOption>
108 //! Initializes an option with the given name.
109 explicit IntegerOption(const char *name) : MyBase(name) {}
112 * Sets the option to return a vector value.
114 * A vector value returns a fixed number of values, the default being
115 * three (can be changed with valueCount()). However, it also accepts
116 * a single value, in which case the value is used to fill the whole
119 MyClass &vector() { setVector(); return me(); }
122 //! Creates an IntegerOptionStorage object.
123 virtual AbstractOptionStoragePointer createStorage() const;
126 * Needed to initialize IntegerOptionStorage from this class without
127 * otherwise unnecessary accessors.
129 friend class IntegerOptionStorage;
133 * Specifies an option that provides floating-point (double) values.
135 * Public methods in this class do not throw.
139 class DoubleOption : public OptionTemplate<double, DoubleOption>
142 //! Initializes an option with the given name.
143 explicit DoubleOption(const char *name) : MyBase(name), _bTime(false)
147 //! \copydoc IntegerOption::vector()
148 MyClass &vector() { setVector(); return me(); }
150 * Marks this option as providing a time value whose unit can be changed.
152 * By itself, this option does nothing. It marks the option as a time
153 * value such that TimeUnitManager::scaleTimeOptions() can process it.
154 * In typical cases, Gromacs scales the time options just before
155 * Options::finish() has been called, so the option value is only
156 * available after all option values have been processed.
157 * All values in the program are in ps (including any default value);
158 * user-provided values are scaled according to the time unit set in
161 MyClass &timeValue() { _bTime = true; return me(); }
164 //! Creates a DoubleOptionStorage object.
165 virtual AbstractOptionStoragePointer createStorage() const;
170 * Needed to initialize DoubleOptionStorage from this class without
171 * otherwise unnecessary accessors.
173 friend class DoubleOptionStorage;
177 * Specifies an option that provides string values.
181 using gmx::StringOption;
184 options.addOption(StringOption("str").store(&str));
185 // Option that only accepts predefined values
186 const char * const allowed[] = { "atom", "residue", "molecule", NULL };
189 options.addOption(StringOption("type").enumValue(allowed).store(&str)
190 .storeEnumIndex(&type));
193 * Public methods in this class do not throw.
197 class StringOption : public OptionTemplate<std::string, StringOption>
200 //! Initializes an option with the given name.
201 explicit StringOption(const char *name)
202 : MyBase(name), _enumValues(NULL), _defaultEnumIndex(-1),
203 _enumIndexStore(NULL)
208 * Sets the option to only accept one of a fixed set of strings.
210 * \param[in] values Array of strings to accept, a NULL pointer
211 * following the last string.
213 * Also accepts prefixes of the strings; if a prefix matches more than
214 * one of the possible strings, the shortest one is used (in a tie, the
217 * It is not possible to provide multiple values for an option with
218 * this property set, i.e., valueCount() and similar attributes cannot
221 * The strings are copied once the option is created.
223 MyClass &enumValue(const char *const *values)
224 { _enumValues = values; return me(); }
226 * Sets the default value using an index into the enumeration table.
228 * Cannot be specified without enumValue().
230 MyClass &defaultEnumIndex(int index)
232 GMX_RELEASE_ASSERT(index >= 0, "Invalid enumeration index");
233 _defaultEnumIndex = index;
237 * Stores the index of the selected value into the provided memory
240 * The index (zero-based) of the selected value in the array \p values
241 * provided to enumValues() is written into \p *store after the
242 * option gets its value. If the option has not been provided,
243 * and there is no default value, -1 is stored.
245 * Cannot be specified without enumValue().
247 MyClass &storeEnumIndex(int *store)
248 { _enumIndexStore = store; return me(); }
251 //! Creates a StringOptionStorage object.
252 virtual AbstractOptionStoragePointer createStorage() const;
253 virtual std::string createDescription() const;
255 const char *const *_enumValues;
256 int _defaultEnumIndex;
257 int *_enumIndexStore;
260 * Needed to initialize StringOptionStorage from this class without
261 * otherwise unnecessary accessors.
263 friend class StringOptionStorage;