Changeset f10b0c for src/Actions/ParserAction
- Timestamp:
- Jun 11, 2012, 9:53:19 AM (13 years ago)
- Branches:
- 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
- Children:
- 95f965
- Parents:
- b9c69d
- git-author:
- Michael Ankele <ankele@…> (04/24/12 13:55:16)
- git-committer:
- Frederik Heber <heber@…> (06/11/12 09:53:19)
- Location:
- src/Actions/ParserAction
- Files:
-
- 5 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp
rb9c69d rf10b0c 42 42 FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); 43 43 // parsing file if present 44 if (!boost::filesystem::exists(params.filename )) {45 LOG(1, "Specified potentials file " << params.filename << " not found.");44 if (!boost::filesystem::exists(params.filename.get())) { 45 LOG(1, "Specified potentials file " << params.filename.get() << " not found."); 46 46 // DONT FAIL: it's just empty we re-create default id-mapping 47 47 parser.createKnownTypesByIdentity(); … … 51 51 52 52 // parse the file 53 test.open(params.filename );53 test.open(params.filename.get()); 54 54 parser.parseKnownTypes(test); 55 55 test.close(); -
src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.cpp
rb9c69d rf10b0c 40 40 /** =========== define the function ====================== */ 41 41 Action::state_ptr ParserSaveSelectedAtomsAsExtTypesAction::performCall() { 42 if (boost::filesystem::exists(params.filename )) {43 ELOG(1, "Specified exttypes file " << params.filename << " already exists.");42 if (boost::filesystem::exists(params.filename.get())) { 43 ELOG(1, "Specified exttypes file " << params.filename.get() << " already exists."); 44 44 45 45 return Action::failure; … … 47 47 const FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); 48 48 49 LOG(1, "Creating exttypes file " << params.filename << " ... ");49 LOG(1, "Creating exttypes file " << params.filename.get() << " ... "); 50 50 boost::filesystem::ofstream test; 51 test.open(params.filename );52 const bool status = parser.saveAtomsInExttypes(test, World::getInstance().getSelectedAtoms(), params.id );51 test.open(params.filename.get()); 52 const bool status = parser.saveAtomsInExttypes(test, World::getInstance().getSelectedAtoms(), params.id.get()); 53 53 test.close(); 54 54 -
src/Actions/ParserAction/SetOutputFormatsAction.cpp
rb9c69d rf10b0c 38 38 /** =========== define the function ====================== */ 39 39 Action::state_ptr ParserSetOutputFormatsAction::performCall() { 40 LOG(1, "Format list is: " << params.FormatList );41 for (vector<std::string>:: iterator iter = params.FormatList.begin(); iter != params.FormatList.end(); ++iter) {40 LOG(1, "Format list is: " << params.FormatList.get()); 41 for (vector<std::string>::const_iterator iter = params.FormatList.get().begin(); iter != params.FormatList.get().end(); ++iter) { 42 42 if (!FormatParserStorage::getInstance().add(*iter)) { 43 43 ELOG(1, "Unknown parser format in ParserSetOutputFormatsAction: '" << *iter << "'"); -
src/Actions/ParserAction/SetParserParametersAction.cpp
rb9c69d rf10b0c 40 40 Action::state_ptr ParserSetParserParametersAction::performCall() { 41 41 // get parser 42 ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(params.parsername );42 ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(params.parsername.get()); 43 43 FormatParser_Parameters *parameters = FormatParserStorage::getInstance().get(type).parameters; 44 44 ASSERT(parameters != NULL, … … 50 50 51 51 // obtain information 52 std::stringstream newparamstream(params.newparams );52 std::stringstream newparamstream(params.newparams.get()); 53 53 newparamstream >> *parameters; 54 54 … … 59 59 ParserSetParserParametersState *state = assert_cast<ParserSetParserParametersState*>(_state.get()); 60 60 61 ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername );61 ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername.get()); 62 62 FormatParser_Parameters *parser = FormatParserStorage::getInstance().get(type).parameters; 63 63 std::stringstream oldparamstream(state->oldparams); … … 70 70 ParserSetParserParametersState *state = assert_cast<ParserSetParserParametersState*>(_state.get()); 71 71 72 ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername );72 ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername.get()); 73 73 FormatParser_Parameters *parser = FormatParserStorage::getInstance().get(type).parameters; 74 std::stringstream newparamstream(state->params.newparams );74 std::stringstream newparamstream(state->params.newparams.get()); 75 75 newparamstream >> *parser; 76 76 -
src/Actions/ParserAction/SetTremoloAtomdataAction.cpp
rb9c69d rf10b0c 41 41 FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>(); 42 42 43 LOG(1, "Setting Tremolo's ATOMDATA to: '" << params.atomdata_string << "'");43 LOG(1, "Setting Tremolo's ATOMDATA to: '" << params.atomdata_string.get() << "'"); 44 44 45 parser.setAtomData(params.atomdata_string );45 parser.setAtomData(params.atomdata_string.get()); 46 46 47 47 return Action::success;
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