source: src/UIElements/CommandLineUI/CommandLineParser.cpp@ 4217e7

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 4217e7 was d09093, checked in by Frederik Heber <heber@…>, 14 years ago

Moved all graph-related Actions into own folder Actions/GraphAction/.

  • Property mode set to 100644
File size: 18.7 KB
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1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * CommandLineParser.cpp
10 *
11 * Created on: May 8, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include <boost/filesystem.hpp>
23#include <boost/program_options.hpp>
24#include <fstream>
25#include <iostream>
26#include <map>
27
28#include "Actions/Action.hpp"
29#include "Actions/ActionRegistry.hpp"
30#include "Actions/ActionTraits.hpp"
31#include "Actions/OptionRegistry.hpp"
32#include "Actions/OptionTrait.hpp"
33#include "Actions/Values.hpp"
34#include "CodePatterns/Log.hpp"
35#include "CodePatterns/Verbose.hpp"
36#include "CommandLineParser.hpp"
37#include "CommandLineParser_validate.hpp"
38
39#include "CodePatterns/Singleton_impl.hpp"
40
41class element;
42
43/** Constructor of class CommandLineParser.
44 *
45 */
46CommandLineParser::CommandLineParser() :
47 analysis("Analysis options"),
48 atom("Atom options"),
49 command("Command options"),
50 fragmentation("Fragmentation options"),
51 graph("Graph options"),
52 molecule("Molecule options"),
53 options("Secondary options"),
54 parser("Parser options"),
55 selection("Selection options"),
56 tesselation("Tesselation options"),
57 world("World options")
58{
59 // put all options lists into a lookup
60 CmdParserLookup["analysis"] = &analysis;
61 CmdParserLookup["atom"] = &atom;
62 CmdParserLookup["command"] = &command;
63 CmdParserLookup["edit"] = &edit;
64 CmdParserLookup["fragmentation"] = &fragmentation;
65 CmdParserLookup["graph"] = &graph;
66 CmdParserLookup["options"] = &options;
67 CmdParserLookup["molecule"] = &molecule;
68 CmdParserLookup["parser"] = &parser;
69 CmdParserLookup["selection"] = &selection;
70 CmdParserLookup["tesselation"] = &tesselation;
71 CmdParserLookup["world"] = &world;
72}
73
74/** Destructor of class CommandLineParser.
75 *
76 */
77CommandLineParser::~CommandLineParser()
78{}
79
80/** Initializes command arguments to accept.
81 * Goes through ActionRegistry and puts all actions therein into the map.
82 */
83void CommandLineParser::InitializeCommandArguments()
84{
85 ActionRegistry &AR = ActionRegistry::getInstance();
86 bool ActionAlreadyAdded_flag = false;
87 for (ActionRegistry::const_iterator actioniter = AR.getBeginIter(); actioniter != AR.getEndIter(); ++actioniter) {
88 ActionAlreadyAdded_flag = false;
89 Action* const currentAction = actioniter->second;
90 //std::cout << "Current Action to initialize is: " << actioniter->first << std::endl;
91
92 for (ActionTraits::options_const_iterator optioniter = currentAction->Traits.getBeginIter();
93 optioniter != currentAction->Traits.getEndIter();
94 ++optioniter) {
95 if (optioniter->first == actioniter->first)
96 ActionAlreadyAdded_flag = true;
97 ASSERT( OptionRegistry::getInstance().isOptionPresentByName(optioniter->first),
98 "CommandLineParser::Init() - Option not present in OptionRegistry." );
99 const OptionTrait* const currentOption = OptionRegistry::getInstance().getOptionByName(optioniter->first);
100 // add the option
101// std::cout << "Registering Option "
102// << currentOption->getName()
103// << " with type '" << currentOption->getTypeName() << "' "
104// << " with description '" << currentOption->getDescription() << "' ";
105// if (currentOption->hasShortForm())
106// std::cout << ", with short form " << currentOption->getShortForm();
107// else
108// std::cout << ", with no short form ";
109// if (currentOption->hasDefaultValue())
110// std::cout << ", with default value " << currentOption->getDefaultValue();
111// else
112// std::cout << ", with no default value ";
113// std::cout << std::endl;
114
115 AddOptionToParser(currentOption, (CmdParserLookup["options"]));
116 }
117
118 if (!ActionAlreadyAdded_flag) {
119 // add the action
120// std::cout << "Registering Action "
121// << currentAction->Traits.getName()
122// << " in menu " << currentAction->Traits.getMenuName()
123// << " with type '" << currentAction->Traits.getTypeName() << "' "
124// << " with description '" << currentAction->Traits.getDescription() << "' ";
125// if (currentAction->Traits.hasShortForm())
126// std::cout << ", with short form " << currentAction->Traits.getShortForm();
127// else
128// std::cout << ", with no short form ";
129// if (currentAction->Traits.hasDefaultValue())
130// std::cout << ", with default value " << currentAction->Traits.getDefaultValue();
131// else
132// std::cout << ", with no default value ";
133// std::cout << std::endl;
134
135 ASSERT(CmdParserLookup.find(currentAction->Traits.getMenuName()) != CmdParserLookup.end(),
136 "CommandLineParser: boost::program_options::options_description for this Action not present.");
137 AddOptionToParser(dynamic_cast<const OptionTrait * const>(&(currentAction->Traits)),(CmdParserLookup[currentAction->Traits.getMenuName()]));
138 }
139 }
140 // note: positioning is not important on the command line
141}
142
143/** Adds an Action or Option to the CommandLineParser.
144 * Note that Action is derived from Option(Trait)
145 *
146 * This ugly switch function is necessary because of the compile-time problem:
147 * po::value<T> has to be instantiated at compile-time however we do know the type not until run-time.
148 * Not even a templated function like po::value<T> getProgramOptionValuefromType() does help, specialized
149 * to each available type, as the signatures of all the functions differ. Hence, they cannot not put into
150 * one type_info -> po::value<T> map ...
151 *
152 * \param *currentOption pointer to Action/Option to add
153 * \param *OptionList program_options list to add to
154 */
155void CommandLineParser::AddOptionToParser(const OptionTrait * const currentOption, po::options_description* OptionList)
156{
157 // check whether dynamic_cast in Init() suceeded
158 ASSERT(currentOption != NULL, "CommandLineParser::AddOptionToParser() - currentOption is NULL!");
159 // add other options
160 //std::cout << "Adding Action " << currentOption->getName() << " with type " << currentOption->getType()->name() << " and KeyandShortform " << currentOption->getKeyAndShortForm() << " to CommandLineParser." << std::endl;
161 switch(TypeToEnums.getEnumforType(currentOption->getType())) {
162 default:
163 case TypeEnumContainer::NoneType:
164 OptionList->add_options()
165 (currentOption->getKeyAndShortForm().c_str(), currentOption->getDescription().c_str())
166 ;
167 break;
168 case TypeEnumContainer::BooleanType:
169 OptionList->add_options()
170 (currentOption->getKeyAndShortForm().c_str(),
171 currentOption->hasDefaultValue() ?
172 po::value < bool >()->default_value(boost::lexical_cast<int>(currentOption->getDefaultValue().c_str())) :
173 po::value < bool >(),
174 currentOption->getDescription().c_str())
175 ;
176 break;
177 case TypeEnumContainer::BoxType:
178 OptionList->add_options()
179 (currentOption->getKeyAndShortForm().c_str(),
180// currentOption->hasDefaultValue() ?
181// po::value < BoxValue >()->default_value(boost::lexical_cast<BoxValue>(currentOption->getDefaultValue().c_str())) :
182 po::value < BoxValue >(),
183 currentOption->getDescription().c_str())
184 ;
185 break;
186 case TypeEnumContainer::FileType:
187 OptionList->add_options()
188 (currentOption->getKeyAndShortForm().c_str(),
189// currentOption->hasDefaultValue() ?
190// po::value < boost::filesystem::path >()->default_value(boost::lexical_cast<boost::filesystem::path>(currentOption->getDefaultValue().c_str())) :
191 po::value < boost::filesystem::path >(),
192 currentOption->getDescription().c_str())
193 ;
194 break;
195 case TypeEnumContainer::ListOfFilesType:
196 OptionList->add_options()
197 (currentOption->getKeyAndShortForm().c_str(),
198// currentOption->hasDefaultValue() ?
199// po::value < std::vector<boost::filesystem::path> >()->default_value(boost::lexical_cast< std::vector<boost::filesystem::path> >(currentOption->getDefaultValue().c_str())) :
200 po::value < std::vector<boost::filesystem::path> >()->multitoken(),
201 currentOption->getDescription().c_str())
202 ;
203 break;
204 case TypeEnumContainer::IntegerType:
205 OptionList->add_options()
206 (currentOption->getKeyAndShortForm().c_str(),
207 currentOption->hasDefaultValue() ?
208 po::value < int >()->default_value(boost::lexical_cast<int>(currentOption->getDefaultValue().c_str())) :
209 po::value < int >(),
210 currentOption->getDescription().c_str())
211 ;
212 break;
213 case TypeEnumContainer::ListOfIntegersType:
214 OptionList->add_options()
215 (currentOption->getKeyAndShortForm().c_str(),
216// currentOption->hasDefaultValue() ?
217// po::value < std::vector<int> >()->default_value(boost::lexical_cast< std::vector<int> >(currentOption->getDefaultValue().c_str())) :
218 po::value < std::vector<int> >()->multitoken(),
219 currentOption->getDescription().c_str())
220 ;
221 break;
222 case TypeEnumContainer::DoubleType:
223 OptionList->add_options()
224 (currentOption->getKeyAndShortForm().c_str(),
225 currentOption->hasDefaultValue() ?
226 po::value < double >()->default_value(boost::lexical_cast<double>(currentOption->getDefaultValue().c_str())) :
227 po::value < double >(),
228 currentOption->getDescription().c_str())
229 ;
230 break;
231 case TypeEnumContainer::ListOfDoublesType:
232 OptionList->add_options()
233 (currentOption->getKeyAndShortForm().c_str(),
234// currentOption->hasDefaultValue() ?
235// po::value < std::vector<double> >()->default_value(boost::lexical_cast< std::vector<double> >(currentOption->getDefaultValue().c_str())) :
236 po::value < std::vector<double> >()->multitoken(),
237 currentOption->getDescription().c_str())
238 ;
239 break;
240 case TypeEnumContainer::StringType:
241 OptionList->add_options()
242 (currentOption->getKeyAndShortForm().c_str(),
243 currentOption->hasDefaultValue() ?
244 po::value < std::string >()->default_value(currentOption->getDefaultValue()) :
245 po::value < std::string >(),
246 currentOption->getDescription().c_str())
247 ;
248 break;
249 case TypeEnumContainer::ListOfStringsType:
250 OptionList->add_options()
251 (currentOption->getKeyAndShortForm().c_str(),
252// currentOption->hasDefaultValue() ?
253// po::value < std::vector<std::string> >()->default_value(boost::lexical_cast< std::vector<std::string> >(currentOption->getDefaultValue().c_str())) :
254 po::value < std::vector<std::string> >()->multitoken(),
255 currentOption->getDescription().c_str())
256 ;
257 break;
258 case TypeEnumContainer::VectorType:
259 OptionList->add_options()
260 (currentOption->getKeyAndShortForm().c_str(),
261// currentOption->hasDefaultValue() ?
262// po::value < VectorValue >()->default_value(boost::lexical_cast<VectorValue>(currentOption->getDefaultValue().c_str())) :
263 po::value < VectorValue >(),
264 currentOption->getDescription().c_str())
265 ;
266 break;
267 case TypeEnumContainer::ListOfVectorsType:
268 OptionList->add_options()
269 (currentOption->getKeyAndShortForm().c_str(),
270// currentOption->hasDefaultValue() ?
271// po::value < std::vector<VectorValue> >()->default_value(boost::lexical_cast< std::vector<VectorValue> >(currentOption->getDefaultValue().c_str())) :
272 po::value < std::vector<VectorValue> >()->multitoken(),
273 currentOption->getDescription().c_str())
274 ;
275 break;
276 case TypeEnumContainer::MoleculeType:
277 OptionList->add_options()
278 (currentOption->getKeyAndShortForm().c_str(),
279// currentOption->hasDefaultValue() ?
280// po::value < const molecule * >()->default_value(boost::lexical_cast<const molecule *>(currentOption->getDefaultValue().c_str())) :
281 po::value < int >(),
282 currentOption->getDescription().c_str())
283 ;
284 break;
285 case TypeEnumContainer::ListOfMoleculesType:
286 OptionList->add_options()
287 (currentOption->getKeyAndShortForm().c_str(),
288// currentOption->hasDefaultValue() ?
289// po::value < std::vector<const molecule *> >()->default_value(boost::lexical_cast< std::vector<const molecule *> >(currentOption->getDefaultValue().c_str())) :
290 po::value < std::vector<int> >()->multitoken(),
291 currentOption->getDescription().c_str())
292 ;
293 break;
294 case TypeEnumContainer::AtomType:
295 OptionList->add_options()
296 (currentOption->getKeyAndShortForm().c_str(),
297 currentOption->hasDefaultValue() ?
298 po::value < int >()->default_value(boost::lexical_cast<int>(currentOption->getDefaultValue().c_str())) :
299 po::value < int >(),
300 currentOption->getDescription().c_str())
301 ;
302 break;
303 case TypeEnumContainer::ListOfAtomsType:
304 OptionList->add_options()
305 (currentOption->getKeyAndShortForm().c_str(),
306// currentOption->hasDefaultValue() ?
307// po::value < std::vector<const atom *> >()->default_value(boost::lexical_cast< std::vector<const atom *> >(currentOption->getDefaultValue().c_str())) :
308 po::value < std::vector<int> >()->multitoken(),
309 currentOption->getDescription().c_str())
310 ;
311 break;
312 case TypeEnumContainer::ElementType:
313 OptionList->add_options()
314 (currentOption->getKeyAndShortForm().c_str(),
315// currentOption->hasDefaultValue() ?
316// po::value < const element * >()->default_value(boost::lexical_cast<const element *>(currentOption->getDefaultValue().c_str())) :
317 po::value < int >(),
318 currentOption->getDescription().c_str())
319 ;
320 break;
321 case TypeEnumContainer::ListOfElementsType:
322 OptionList->add_options()
323 (currentOption->getKeyAndShortForm().c_str(),
324// currentOption->hasDefaultValue() ?
325// po::value < std::vector<const element *> >()->default_value(boost::lexical_cast< std::vector<const element *> >(currentOption->getDefaultValue().c_str())) :
326 po::value < std::vector<int> >()->multitoken(),
327 currentOption->getDescription().c_str())
328 ;
329 break;
330 case TypeEnumContainer::RandomNumberDistribution_ParametersType:
331 OptionList->add_options()
332 (currentOption->getKeyAndShortForm().c_str(),
333 currentOption->hasDefaultValue() ?
334 po::value < std::string >()->default_value(boost::lexical_cast< std::string >(currentOption->getDefaultValue().c_str())) :
335 po::value < std::string >(),
336 currentOption->getDescription().c_str())
337 ;
338 break;
339 }
340}
341
342/** States whether there are command line arguments.
343 * \return true - there are none, false - there is at least one command line argument
344 */
345bool CommandLineParser::isEmpty()
346{
347 return vm.empty();
348}
349
350/** Sets the options.
351 * \param _argc arg count from main()
352 * \param **_argv argument array from main()
353 */
354void CommandLineParser::setOptions(int _argc, char **_argv)
355{
356 argc = _argc;
357 argv = _argv;
358 config_file_options.add(options);
359 // append all option_descriptions to both cmdline_options and visible
360 for (CmdParserLookupMap::iterator iter = CmdParserLookup.begin();
361 iter != CmdParserLookup.end();
362 ++iter) {
363 cmdline_options.add(*(iter->second));
364 visible.add(*(iter->second));
365 }
366}
367
368/** Parses the command line arguments.
369 * Calls program_options::store() and program_options::notify()
370 */
371void CommandLineParser::Parse()
372{
373 po::store(po::command_line_parser(argc,argv).options(cmdline_options).run(), vm);
374 std::ifstream input;
375 input.open("example.cfg");
376 if (!input.fail())
377 po::store(po::parse_config_file(input, config_file_options), vm);
378 input.close();
379 po::notify(vm);
380}
381
382/** Scan the argument list for -a or --arguments and store their order for later use.
383 */
384void CommandLineParser::scanforSequenceOfArguments()
385{
386 std::map <std::string, std::string> ShortFormToActionMap = getShortFormToActionMap();
387 DoLog(0) && (Log() << Verbose(0) << "Scanning command line arguments and recognizing Actions." << std::endl);
388 // go through all arguments
389 for (int i=1;i<argc;i++) {
390 DoLog(2) && (Log() << Verbose(2) << "Checking on " << argv[i] << std::endl);
391 // check whether they
392 if (argv[i][0] == '-') { // .. begin with -
393 DoLog(2) && (Log() << Verbose(2) << "Possible argument: " << argv[i] << endl);
394 if (argv[i][1] == '-') { // .. or --
395 DoLog(1) && (Log() << Verbose(1) << "Putting " << argv[i] << " into the sequence." << endl);
396 SequenceOfActions.push_back(&(argv[i][2]));
397 // .. and check that next letter is not numeric, if so insert
398 } else if (((argv[i][1] < '0') || (argv[i][1] > '9')) && ((argv[i][1] != '.'))) {
399 std::map <std::string, std::string>::iterator iter = ShortFormToActionMap.find(&(argv[i][1]));
400 if (iter != ShortFormToActionMap.end()) {
401 DoLog(1) && (Log() << Verbose(1) << "Putting " << iter->second << " for " << iter->first << " into the sequence." << endl);
402 SequenceOfActions.push_back(iter->second);
403 }
404 }
405 }
406 }
407}
408
409/** Makes the Parser parse the command line options with current known options.
410 * \param _argc arg count from main()
411 * \param **_argv argument array from main()
412 */
413void CommandLineParser::Run(int _argc, char **_argv)
414{
415 setOptions(_argc,_argv);
416 Parse();
417 scanforSequenceOfArguments();
418}
419
420/** Go through all Actions and create a map from short form to their token.
421 * \return map from Action's ShortForm to token.
422 */
423std::map <std::string, std::string> CommandLineParser::getShortFormToActionMap() const
424{
425 std::map <std::string, std::string> result;
426
427 ActionRegistry &AR = ActionRegistry::getInstance();
428 for (ActionRegistry::const_iterator iter = AR.getBeginIter(); iter != AR.getEndIter(); ++iter)
429 if ((iter->second)->Traits.hasShortForm()) {
430 ASSERT(result.find((iter->second)->Traits.getShortForm()) == result.end(),
431 "Short form "+toString((iter->second)->Traits.getShortForm())+
432 " for action "+toString(iter->first)+" already present from "+
433 std::string(result[(iter->second)->Traits.getShortForm()])+"!");
434 result[(iter->second)->Traits.getShortForm()] = (iter->second)->getName();
435 }
436
437 return result;
438}
439
440CONSTRUCT_SINGLETON(CommandLineParser)
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