Changeset 9d33ba for src/Actions/AtomAction
- Timestamp:
- Jul 22, 2010, 7:45:26 PM (15 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:
- 454065
- Parents:
- ca1ba5
- Location:
- src/Actions/AtomAction
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/AtomAction/AddAction.cpp
rca1ba5 r9d33ba 24 24 #include "UIElements/UIFactory.hpp" 25 25 #include "UIElements/Dialog.hpp" 26 #include " Actions/MapOfActions.hpp"26 #include "UIElements/ValueStorage.hpp" 27 27 28 28 const char AtomAddAction::NAME[] = "add-atom"; … … 35 35 {} 36 36 37 Dialog * AtomAddAction::createDialog() { 38 Dialog *dialog = UIFactory::getInstance().makeDialog(); 39 40 dialog->queryElement(NAME, ValueStorage::getInstance().getDescription(NAME)); 41 dialog->queryVector("position", true, ValueStorage::getInstance().getDescription("position")); 42 43 return dialog; 44 } 45 37 46 Action::state_ptr AtomAddAction::performCall() { 38 Dialog *dialog = UIFactory::getInstance().makeDialog();39 47 std::vector<element *> elements; 40 48 Vector position; 41 49 42 dialog->queryElement(NAME, &elements, MapOfActions::getInstance().getDescription(NAME));43 dialog->queryVector("position", &position, true, MapOfActions::getInstance().getDescription("position"));44 cout << "pre-dialog" << endl;50 // obtain information 51 ValueStorage::getInstance().queryCurrentValue(NAME, elements); 52 ValueStorage::getInstance().queryCurrentValue("position", position); 45 53 46 if(dialog->display()) { 47 cout << "post-dialog" << endl; 48 delete dialog; 49 if (elements.size() == 1) { 50 atom * first = World::getInstance().createAtom(); 51 first->type = *(elements.begin()); 52 first->x = position; 53 DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl); 54 // TODO: remove when all of World's atoms are stored. 55 std::vector<molecule *> molecules = World::getInstance().getAllMolecules(); 56 if (!molecules.empty()) { 57 std::vector<molecule *>::iterator iter = molecules.begin(); 58 (*iter)->AddAtom(first); 59 } 60 return Action::success; 61 } else { 54 // execute action 55 if (elements.size() == 1) { 56 atom * first = World::getInstance().createAtom(); 57 first->type = *(elements.begin()); 58 first->x = position; 59 DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl); 60 // TODO: remove when all of World's atoms are stored. 61 std::vector<molecule *> molecules = World::getInstance().getAllMolecules(); 62 if (!molecules.empty()) { 63 std::vector<molecule *>::iterator iter = molecules.begin(); 64 (*iter)->AddAtom(first); 65 } 66 return Action::success; 67 } else { 62 68 DoeLog(1) && (eLog()<< Verbose(1) << "Could not find the specified element." << endl); 63 69 return Action::failure; 64 }65 } else {66 delete dialog;67 return Action::failure;68 70 } 69 70 71 } 71 72 -
src/Actions/AtomAction/AddAction.hpp
rca1ba5 r9d33ba 21 21 virtual const std::string getName(); 22 22 private: 23 virtual Dialog * createDialog(); 23 24 virtual Action::state_ptr performCall(); 24 25 virtual Action::state_ptr performUndo(Action::state_ptr);
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