2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2010,2011,2012,2013,2014, 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 * Implements classes in basicoptions.h and basicoptionstorage.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_options
42 #include "basicoptions.h"
43 #include "basicoptionstorage.h"
53 #include "gromacs/legacyheaders/string2.h"
55 #include "gromacs/utility/exceptions.h"
56 #include "gromacs/utility/stringutil.h"
62 * Expands a single value to a vector by copying the value.
64 * \tparam ValueType Type of values to process.
65 * \param[in] length Length of the resulting vector.
66 * \param[in,out] values Values to process.
67 * \throws std::bad_alloc if out of memory.
68 * \throws InvalidInputError if \p values has an invalid number of values.
70 * \p values should have 0, 1, or \p length values.
71 * If \p values has 1 value, it is expanded such that it has \p length
72 * identical values. In other valid cases, nothing is done.
74 template <typename ValueType>
75 void expandVector(size_t length, std::vector<ValueType> *values)
77 if (length > 0 && !values->empty() && values->size() != length)
79 if (values->size() != 1)
81 GMX_THROW(gmx::InvalidInputError(gmx::formatString(
82 "Expected 1 or %d values, got %d", length, values->size())));
84 const ValueType &value = (*values)[0];
85 values->resize(length, value);
94 /********************************************************************
95 * BooleanOptionStorage
98 std::string BooleanOptionStorage::formatSingleValue(const bool &value) const
100 return value ? "yes" : "no";
103 void BooleanOptionStorage::convertValue(const std::string &value)
105 // TODO: Case-independence
106 if (value == "1" || value == "yes" || value == "true")
111 else if (value == "0" || value == "no" || value == "false")
116 GMX_THROW(InvalidInputError("Invalid value: '" + value + "'; supported values are: 1, 0, yes, no, true, false"));
119 /********************************************************************
123 BooleanOptionInfo::BooleanOptionInfo(BooleanOptionStorage *option)
128 /********************************************************************
132 AbstractOptionStoragePointer BooleanOption::createStorage() const
134 return AbstractOptionStoragePointer(new BooleanOptionStorage(*this));
138 /********************************************************************
139 * IntegerOptionStorage
142 std::string IntegerOptionStorage::formatSingleValue(const int &value) const
144 return formatString("%d", value);
147 void IntegerOptionStorage::convertValue(const std::string &value)
149 const char *ptr = value.c_str();
152 long int ival = std::strtol(ptr, &endptr, 10);
154 || ival < std::numeric_limits<int>::min()
155 || ival > std::numeric_limits<int>::max())
157 GMX_THROW(InvalidInputError("Invalid value: '" + value
158 + "'; it causes an integer overflow"));
160 if (*ptr == '\0' || *endptr != '\0')
162 GMX_THROW(InvalidInputError("Invalid value: '" + value
163 + "'; expected an integer"));
168 void IntegerOptionStorage::processSetValues(ValueList *values)
172 expandVector(maxValueCount(), values);
176 /********************************************************************
180 IntegerOptionInfo::IntegerOptionInfo(IntegerOptionStorage *option)
185 /********************************************************************
189 AbstractOptionStoragePointer IntegerOption::createStorage() const
191 return AbstractOptionStoragePointer(new IntegerOptionStorage(*this));
195 /********************************************************************
199 std::string Int64OptionStorage::formatSingleValue(const gmx_int64_t &value) const
201 return formatString("%" GMX_PRId64, value);
204 void Int64OptionStorage::convertValue(const std::string &value)
206 const char *ptr = value.c_str();
209 const gmx_int64_t ival = str_to_int64_t(ptr, &endptr);
212 GMX_THROW(InvalidInputError("Invalid value: '" + value
213 + "'; it causes an integer overflow"));
215 if (*ptr == '\0' || *endptr != '\0')
217 GMX_THROW(InvalidInputError("Invalid value: '" + value
218 + "'; expected an integer"));
223 /********************************************************************
227 Int64OptionInfo::Int64OptionInfo(Int64OptionStorage *option)
232 /********************************************************************
236 AbstractOptionStoragePointer Int64Option::createStorage() const
238 return AbstractOptionStoragePointer(new Int64OptionStorage(*this));
242 /********************************************************************
243 * DoubleOptionStorage
246 DoubleOptionStorage::DoubleOptionStorage(const DoubleOption &settings)
247 : MyBase(settings), info_(this), bTime_(settings.bTime_), factor_(1.0)
251 std::string DoubleOptionStorage::typeString() const
253 return isVector() ? "vector" : (isTime() ? "time" : "real");
256 std::string DoubleOptionStorage::formatSingleValue(const double &value) const
258 return formatString("%g", value / factor_);
261 void DoubleOptionStorage::convertValue(const std::string &value)
263 const char *ptr = value.c_str();
266 double dval = std::strtod(ptr, &endptr);
269 GMX_THROW(InvalidInputError("Invalid value: '" + value
270 + "'; it causes an overflow/underflow"));
272 if (*ptr == '\0' || *endptr != '\0')
274 GMX_THROW(InvalidInputError("Invalid value: '" + value
275 + "'; expected a number"));
277 addValue(dval * factor_);
280 void DoubleOptionStorage::processSetValues(ValueList *values)
284 expandVector(maxValueCount(), values);
288 void DoubleOptionStorage::setScaleFactor(double factor)
290 GMX_RELEASE_ASSERT(factor > 0.0, "Invalid scaling factor");
291 if (!hasFlag(efOption_HasDefaultValue))
293 double scale = factor / factor_;
294 ValueList::iterator i;
295 for (i = values().begin(); i != values().end(); ++i)
304 /********************************************************************
308 DoubleOptionInfo::DoubleOptionInfo(DoubleOptionStorage *option)
313 DoubleOptionStorage &DoubleOptionInfo::option()
315 return static_cast<DoubleOptionStorage &>(OptionInfo::option());
318 const DoubleOptionStorage &DoubleOptionInfo::option() const
320 return static_cast<const DoubleOptionStorage &>(OptionInfo::option());
323 bool DoubleOptionInfo::isTime() const
325 return option().isTime();
328 void DoubleOptionInfo::setScaleFactor(double factor)
330 option().setScaleFactor(factor);
333 /********************************************************************
337 AbstractOptionStoragePointer DoubleOption::createStorage() const
339 return AbstractOptionStoragePointer(new DoubleOptionStorage(*this));
343 /********************************************************************
347 FloatOptionStorage::FloatOptionStorage(const FloatOption &settings)
348 : MyBase(settings), info_(this), bTime_(settings.bTime_), factor_(1.0)
352 std::string FloatOptionStorage::typeString() const
354 return isVector() ? "vector" : (isTime() ? "time" : "real");
357 std::string FloatOptionStorage::formatSingleValue(const float &value) const
359 return formatString("%g", value / factor_);
362 void FloatOptionStorage::convertValue(const std::string &value)
364 const char *ptr = value.c_str();
367 double dval = std::strtod(ptr, &endptr);
369 || dval * factor_ < -std::numeric_limits<float>::max()
370 || dval * factor_ > -std::numeric_limits<float>::max())
372 GMX_THROW(InvalidInputError("Invalid value: '" + value
373 + "'; it causes an overflow/underflow"));
375 if (*ptr == '\0' || *endptr != '\0')
377 GMX_THROW(InvalidInputError("Invalid value: '" + value
378 + "'; expected a number"));
380 addValue(dval * factor_);
383 void FloatOptionStorage::processSetValues(ValueList *values)
387 expandVector(maxValueCount(), values);
391 void FloatOptionStorage::setScaleFactor(double factor)
393 GMX_RELEASE_ASSERT(factor > 0.0, "Invalid scaling factor");
394 if (!hasFlag(efOption_HasDefaultValue))
396 double scale = factor / factor_;
397 ValueList::iterator i;
398 for (i = values().begin(); i != values().end(); ++i)
407 /********************************************************************
411 FloatOptionInfo::FloatOptionInfo(FloatOptionStorage *option)
416 FloatOptionStorage &FloatOptionInfo::option()
418 return static_cast<FloatOptionStorage &>(OptionInfo::option());
421 const FloatOptionStorage &FloatOptionInfo::option() const
423 return static_cast<const FloatOptionStorage &>(OptionInfo::option());
426 bool FloatOptionInfo::isTime() const
428 return option().isTime();
431 void FloatOptionInfo::setScaleFactor(double factor)
433 option().setScaleFactor(factor);
436 /********************************************************************
440 AbstractOptionStoragePointer FloatOption::createStorage() const
442 return AbstractOptionStoragePointer(new FloatOptionStorage(*this));
446 /********************************************************************
447 * StringOptionStorage
450 StringOptionStorage::StringOptionStorage(const StringOption &settings)
451 : MyBase(settings), info_(this), enumIndexStore_(NULL)
453 if (settings.defaultEnumIndex_ >= 0 && settings.enumValues_ == NULL)
455 GMX_THROW(APIError("Cannot set default enum index without enum values"));
457 if (settings.enumIndexStore_ != NULL && settings.enumValues_ == NULL)
459 GMX_THROW(APIError("Cannot set enum index store without enum values"));
461 if (settings.enumIndexStore_ != NULL && settings.maxValueCount_ < 0)
463 GMX_THROW(APIError("Cannot set enum index store with arbitrary number of values"));
465 if (settings.enumValues_ != NULL)
467 enumIndexStore_ = settings.enumIndexStore_;
468 const std::string *defaultValue = settings.defaultValue();
470 int count = settings.enumValuesCount_;
474 while (settings.enumValues_[count] != NULL)
479 for (int i = 0; i < count; ++i)
481 if (settings.enumValues_[i] == NULL)
483 GMX_THROW(APIError("Enumeration value cannot be NULL"));
485 if (defaultValue != NULL && settings.enumValues_[i] == *defaultValue)
489 allowed_.push_back(settings.enumValues_[i]);
491 if (defaultValue != NULL)
495 GMX_THROW(APIError("Default value is not one of allowed values"));
498 if (settings.defaultEnumIndex_ >= 0)
500 if (settings.defaultEnumIndex_ >= static_cast<int>(allowed_.size()))
502 GMX_THROW(APIError("Default enumeration index is out of range"));
504 if (defaultValue != NULL && *defaultValue != allowed_[settings.defaultEnumIndex_])
506 GMX_THROW(APIError("Conflicting default values"));
509 // If there is no default value, match is still -1.
510 if (enumIndexStore_ != NULL)
512 *enumIndexStore_ = match;
515 if (settings.defaultEnumIndex_ >= 0)
518 addValue(allowed_[settings.defaultEnumIndex_]);
523 std::string StringOptionStorage::formatExtraDescription() const
526 if (!allowed_.empty())
529 ValueList::const_iterator i;
530 for (i = allowed_.begin(); i != allowed_.end(); ++i)
532 if (i != allowed_.begin())
542 std::string StringOptionStorage::formatSingleValue(const std::string &value) const
547 void StringOptionStorage::convertValue(const std::string &value)
549 if (allowed_.size() == 0)
555 ValueList::const_iterator i;
556 ValueList::const_iterator match = allowed_.end();
557 for (i = allowed_.begin(); i != allowed_.end(); ++i)
559 // TODO: Case independence.
560 if (i->find(value) == 0)
562 if (match == allowed_.end() || i->size() < match->size())
568 if (match == allowed_.end())
570 GMX_THROW(InvalidInputError("Invalid value: " + value));
576 void StringOptionStorage::refreshValues()
578 MyBase::refreshValues();
579 if (enumIndexStore_ != NULL)
581 for (size_t i = 0; i < values().size(); ++i)
583 ValueList::const_iterator match =
584 std::find(allowed_.begin(), allowed_.end(), values()[i]);
585 GMX_ASSERT(match != allowed_.end(),
586 "Enum value not found (internal error)");
587 enumIndexStore_[i] = static_cast<int>(match - allowed_.begin());
592 /********************************************************************
596 StringOptionInfo::StringOptionInfo(StringOptionStorage *option)
601 StringOptionStorage &StringOptionInfo::option()
603 return static_cast<StringOptionStorage &>(OptionInfo::option());
606 const StringOptionStorage &StringOptionInfo::option() const
608 return static_cast<const StringOptionStorage &>(OptionInfo::option());
611 bool StringOptionInfo::isEnumerated() const
613 return !allowedValues().empty();
616 const std::vector<std::string> &StringOptionInfo::allowedValues() const
618 return option().allowedValues();
621 /********************************************************************
625 AbstractOptionStoragePointer StringOption::createStorage() const
627 return AbstractOptionStoragePointer(new StringOptionStorage(*this));