Changeset 7882e9 for src/Actions/WorldAction/InputAction.cpp
- Timestamp:
- Jul 22, 2010, 9:07:35 PM (14 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:
- 37c282
- Parents:
- 1ba67d
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/WorldAction/InputAction.cpp
r1ba67d r7882e9 23 23 #include "UIElements/UIFactory.hpp" 24 24 #include "UIElements/Dialog.hpp" 25 #include " Actions/MapOfActions.hpp"25 #include "UIElements/ValueStorage.hpp" 26 26 27 27 const char WorldInputAction::NAME[] = "input"; … … 34 34 {} 35 35 36 Dialog* WorldInputAction::createDialog() { 37 Dialog *dialog = UIFactory::getInstance().makeDialog(); 38 39 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME)); 40 41 return dialog; 42 } 43 36 44 Action::state_ptr WorldInputAction::performCall() { 37 Dialog *dialog = UIFactory::getInstance().makeDialog();38 45 MoleculeListClass *molecules = World::getInstance().getMolecules(); 39 46 molecule *mol = NULL; … … 41 48 std::ifstream test; 42 49 43 dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME));50 ValueStorage::getInstance().queryCurrentValue(NAME, filename); 44 51 45 if(dialog->display()) { 46 DoLog(0) && (Log() << Verbose(0) << "Config file given." << endl); 47 if (filename.find('.') != string::npos) { 48 std::string FilenamePrefix = filename.substr(0,filename.find_last_of('.')); 49 std::string FilenameSuffix = filename.substr(filename.find_last_of('.')+1, filename.length()); 50 DoLog(1) && (Log() << Verbose(1) << "Setting config file name prefix to " << FilenamePrefix << "." << endl); 51 test.open(filename.c_str()); 52 if (test == NULL) { 53 DoLog(1) && (Log() << Verbose(1) << "Specified config file " << filename << " not found." << endl); 54 } else { 55 DoLog(1) && (Log() << Verbose(1) << "Specified config file found, parsing ... "); 56 FormatParserStorage::getInstance().get((std::istream &)test, FilenameSuffix); 57 test.close(); 58 } 59 FormatParserStorage::getInstance().SetOutputPrefixForAll(FilenamePrefix); 60 // set mol to first active molecule 61 if (molecules->ListOfMolecules.size() != 0) { 62 for (MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++) 63 if ((*ListRunner)->ActiveFlag) { 64 mol = *ListRunner; 65 break; 66 } 67 } 68 if (mol == NULL) { 69 mol = World::getInstance().createMolecule(); 70 mol->ActiveFlag = true; 71 molecules->insert(mol); 72 } 73 mol->SetNameFromFilename(filename.substr(0,filename.find('.')).c_str()); 52 DoLog(0) && (Log() << Verbose(0) << "Config file given." << endl); 53 if (filename.find('.') != string::npos) { 54 std::string FilenamePrefix = filename.substr(0,filename.find_last_of('.')); 55 std::string FilenameSuffix = filename.substr(filename.find_last_of('.')+1, filename.length()); 56 DoLog(1) && (Log() << Verbose(1) << "Setting config file name prefix to " << FilenamePrefix << "." << endl); 57 test.open(filename.c_str()); 58 if (test == NULL) { 59 DoLog(1) && (Log() << Verbose(1) << "Specified config file " << filename << " not found." << endl); 74 60 } else { 75 DoeLog(1) && (eLog() << Verbose(1) << "Input file does not have a suffix, cannot recognize format." << endl); 61 DoLog(1) && (Log() << Verbose(1) << "Specified config file found, parsing ... "); 62 FormatParserStorage::getInstance().get((std::istream &)test, FilenameSuffix); 63 test.close(); 76 64 } 77 delete dialog; 78 return Action::success; 65 FormatParserStorage::getInstance().SetOutputPrefixForAll(FilenamePrefix); 66 // set mol to first active molecule 67 if (molecules->ListOfMolecules.size() != 0) { 68 for (MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++) 69 if ((*ListRunner)->ActiveFlag) { 70 mol = *ListRunner; 71 break; 72 } 73 } 74 if (mol == NULL) { 75 mol = World::getInstance().createMolecule(); 76 mol->ActiveFlag = true; 77 molecules->insert(mol); 78 } 79 mol->SetNameFromFilename(filename.substr(0,filename.find('.')).c_str()); 79 80 } else { 80 delete dialog; 81 return Action::failure; 81 DoeLog(1) && (eLog() << Verbose(1) << "Input file does not have a suffix, cannot recognize format." << endl); 82 82 } 83 return Action::success; 83 84 } 84 85
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