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37 * Implements classes in selectionoption.h and selectionoptionstorage.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_selection
42 #include "selectionoption.h"
43 #include "selectionfileoption.h"
44 #include "selectionoptionstorage.h"
45 #include "selectionfileoptionstorage.h"
49 #include "gromacs/selection/selection.h"
50 #include "gromacs/selection/selectionoptionmanager.h"
51 #include "gromacs/utility/exceptions.h"
52 #include "gromacs/utility/gmxassert.h"
53 #include "gromacs/utility/messagestringcollector.h"
58 /********************************************************************
59 * SelectionOptionStorage
62 SelectionOptionStorage::SelectionOptionStorage(const SelectionOption &settings)
63 : MyBase(settings, OptionFlags() | efOption_NoDefaultValue
64 | efOption_DontCheckMinimumCount),
65 info_(this), manager_(NULL), defaultText_(settings.defaultText_),
66 selectionFlags_(settings.selectionFlags_)
68 GMX_RELEASE_ASSERT(!hasFlag(efOption_MultipleTimes),
69 "allowMultiple() is not supported for selection options");
73 void SelectionOptionStorage::setManager(SelectionOptionManager *manager)
75 GMX_RELEASE_ASSERT(manager_ == NULL || manager_ == manager,
76 "Manager cannot be changed once set");
79 manager->registerOption(this);
85 std::string SelectionOptionStorage::formatSingleValue(const Selection &value) const
87 return value.selectionText();
91 void SelectionOptionStorage::addSelections(
92 const SelectionList &selections,
95 if (bFullValue && selections.size() < static_cast<size_t>(minValueCount()))
97 GMX_THROW(InvalidInputError("Too few selections provided"));
103 SelectionList::const_iterator i;
104 for (i = selections.begin(); i != selections.end(); ++i)
106 // TODO: Having this check in the parser would make interactive input
108 if (selectionFlags_.test(efSelection_OnlyStatic) && i->isDynamic())
110 GMX_THROW(InvalidInputError("Dynamic selections not supported"));
112 // Create a copy to allow modifications.
114 sel.data().setFlags(selectionFlags_);
125 void SelectionOptionStorage::convertValue(const std::string &value)
127 GMX_RELEASE_ASSERT(manager_ != NULL, "Manager is not set");
129 manager_->convertOptionValue(this, value, false);
132 void SelectionOptionStorage::processSetValues(ValueList *values)
134 GMX_RELEASE_ASSERT(manager_ != NULL, "Manager is not set");
136 if (values->size() == 0)
138 manager_->requestOptionDelayedParsing(this);
140 else if (values->size() < static_cast<size_t>(minValueCount()))
142 GMX_THROW(InvalidInputError("Too few (valid) values provided"));
146 void SelectionOptionStorage::processAll()
148 GMX_RELEASE_ASSERT(manager_ != NULL, "Manager is not set");
149 if (!isSet() && !defaultText_.empty())
151 manager_->convertOptionValue(this, defaultText_, true);
153 if (isRequired() && !isSet())
155 manager_->requestOptionDelayedParsing(this);
160 void SelectionOptionStorage::setAllowedValueCount(int count)
162 // TODO: It should be possible to have strong exception safety here.
163 MessageStringCollector errors;
164 errors.startContext("In option '" + name() + "'");
167 // Should not throw because efOption_DontCheckMinimumCount is set.
168 setMinValueCount(count);
169 if (valueCount() > 0 && valueCount() < count)
171 errors.append("Too few (valid) values provided");
176 setMaxValueCount(count);
178 catch (const UserInputError &ex)
180 errors.append(ex.what());
182 errors.finishContext();
183 if (!errors.isEmpty())
185 GMX_THROW(InvalidInputError(errors.toString()));
189 void SelectionOptionStorage::setSelectionFlag(SelectionFlag flag, bool bSet)
191 ValueList::iterator i;
192 for (i = values().begin(); i != values().end(); ++i)
194 if (flag == efSelection_OnlyStatic && bSet && i->isDynamic())
196 MessageStringCollector errors;
197 errors.startContext("In option '" + name() + "'");
198 errors.append("Dynamic selections not supported");
199 errors.finishContext();
200 GMX_THROW(InvalidInputError(errors.toString()));
203 selectionFlags_.set(flag, bSet);
204 for (i = values().begin(); i != values().end(); ++i)
206 i->data().setFlags(selectionFlags_);
211 /********************************************************************
212 * SelectionOptionInfo
215 SelectionOptionInfo::SelectionOptionInfo(SelectionOptionStorage *option)
220 SelectionOptionStorage &SelectionOptionInfo::option()
222 return static_cast<SelectionOptionStorage &>(OptionInfo::option());
225 const SelectionOptionStorage &SelectionOptionInfo::option() const
227 return static_cast<const SelectionOptionStorage &>(OptionInfo::option());
230 void SelectionOptionInfo::setManager(SelectionOptionManager *manager)
232 option().setManager(manager);
235 void SelectionOptionInfo::setValueCount(int count)
237 option().setAllowedValueCount(count);
240 void SelectionOptionInfo::setEvaluateVelocities(bool bEnabled)
242 option().setSelectionFlag(efSelection_EvaluateVelocities, bEnabled);
245 void SelectionOptionInfo::setEvaluateForces(bool bEnabled)
247 option().setSelectionFlag(efSelection_EvaluateForces, bEnabled);
250 void SelectionOptionInfo::setOnlyAtoms(bool bEnabled)
252 option().setSelectionFlag(efSelection_OnlyAtoms, bEnabled);
255 void SelectionOptionInfo::setOnlyStatic(bool bEnabled)
257 option().setSelectionFlag(efSelection_OnlyStatic, bEnabled);
260 void SelectionOptionInfo::setDynamicMask(bool bEnabled)
262 option().setSelectionFlag(efSelection_DynamicMask, bEnabled);
266 /********************************************************************
270 AbstractOptionStoragePointer SelectionOption::createStorage() const
272 return AbstractOptionStoragePointer(new SelectionOptionStorage(*this));
276 /********************************************************************
277 * SelectionFileOptionStorage
280 SelectionFileOptionStorage::SelectionFileOptionStorage(const SelectionFileOption &settings)
281 : AbstractOptionStorage(settings, OptionFlags() | efOption_MultipleTimes
282 | efOption_DontCheckMinimumCount),
283 info_(this), manager_(NULL), bValueParsed_(false)
287 void SelectionFileOptionStorage::clearSet()
289 bValueParsed_ = false;
292 void SelectionFileOptionStorage::convertValue(const std::string &value)
294 GMX_RELEASE_ASSERT(manager_ != NULL, "Manager is not set");
298 GMX_THROW(InvalidInputError("More than one file name provided"));
300 bValueParsed_ = true;
301 // TODO: Should we throw an InvalidInputError if the file does not exist?
302 manager_->parseRequestedFromFile(value);
305 void SelectionFileOptionStorage::processSet()
309 GMX_THROW(InvalidInputError("No file name provided"));
314 /********************************************************************
315 * SelectionFileOptionInfo
318 SelectionFileOptionInfo::SelectionFileOptionInfo(SelectionFileOptionStorage *option)
323 SelectionFileOptionStorage &SelectionFileOptionInfo::option()
325 return static_cast<SelectionFileOptionStorage &>(OptionInfo::option());
328 const SelectionFileOptionStorage &SelectionFileOptionInfo::option() const
330 return static_cast<const SelectionFileOptionStorage &>(OptionInfo::option());
333 void SelectionFileOptionInfo::setManager(SelectionOptionManager *manager)
335 option().setManager(manager);
339 /********************************************************************
340 * SelectionFileOption
343 SelectionFileOption::SelectionFileOption(const char *name)
344 : AbstractOption(name)
346 setDescription("Provide selections from files");
349 AbstractOptionStoragePointer SelectionFileOption::createStorage() const
351 return AbstractOptionStoragePointer(new SelectionFileOptionStorage(*this));