Changeset 8bb05e for src/Actions/AtomAction/AddAction.cpp
- Timestamp:
- Aug 28, 2010, 12:57:56 AM (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:
- 53d01c
- Parents:
- 72f611
- git-author:
- Frederik Heber <heber@…> (08/26/10 13:27:09)
- git-committer:
- Frederik Heber <heber@…> (08/28/10 00:57:56)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
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src/Actions/AtomAction/AddAction.cpp
r72f611 r8bb05e 20 20 #include "Helpers/MemDebug.hpp" 21 21 22 #include "Actions/AtomAction/AddAction.hpp"23 #include "Actions/ActionRegistry.hpp"24 22 #include "Descriptors/AtomIdDescriptor.hpp" 25 23 #include "atom.hpp" … … 36 34 using namespace std; 37 35 38 #include "UIElements/UIFactory.hpp" 39 #include "UIElements/Dialog.hpp" 40 #include "Actions/ValueStorage.hpp" 36 #include "Actions/AtomAction/AddAction.hpp" 41 37 42 // memento to remember the state when undoing 38 // and construct the stuff 39 #include "AddAction.def" 40 #include "Action_impl_pre.hpp" 43 41 44 class AtomAddState : public ActionState { 45 public: 46 AtomAddState(const Vector &_position, const element *_elemental, const atomId_t _id) : 47 position(_position), 48 elemental(_elemental), 49 id(_id) 50 {} 51 Vector position; 52 const element *elemental; 53 atomId_t id; 54 }; 55 56 const char AtomAddAction::NAME[] = "add-atom"; 57 58 AtomAddAction::AtomAddAction() : 59 Action(NAME) 60 {} 61 62 AtomAddAction::~AtomAddAction() 63 {} 64 65 void AtomAdd(element *elemental, Vector &position) { 66 ValueStorage::getInstance().setCurrentValue(AtomAddAction::NAME, elemental); 67 ValueStorage::getInstance().setCurrentValue("position", elemental); 68 ActionRegistry::getInstance().getActionByName(AtomAddAction::NAME)->call(Action::NonInteractive); 69 }; 70 71 void AtomAddAction::getParametersfromValueStorage() 72 {}; 73 74 Dialog* AtomAddAction::fillDialog(Dialog *dialog) { 75 ASSERT(dialog,"No Dialog given when filling action dialog"); 76 77 dialog->queryElement(NAME, ValueStorage::getInstance().getDescription(NAME)); 78 dialog->queryVector("position", true, ValueStorage::getInstance().getDescription("position")); 79 80 return dialog; 81 } 82 42 /** =========== define the function ====================== */ 83 43 Action::state_ptr AtomAddAction::performCall() { 84 const element * elemental = NULL;85 Vector position;86 87 44 // obtain information 88 ValueStorage::getInstance().queryCurrentValue(NAME, elemental); 89 ValueStorage::getInstance().queryCurrentValue("position", position); 45 getParametersfromValueStorage(); 90 46 91 47 // execute action 92 48 atom * first = World::getInstance().createAtom(); 93 first->setType( elemental);94 first->setPosition(p osition);49 first->setType(params.elemental); 50 first->setPosition(params.position); 95 51 DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->getType()->getName() << " at " << (first->getPosition()) << "." << endl); 96 52 // TODO: remove when all of World's atoms are stored. … … 100 56 (*iter)->AddAtom(first); 101 57 } 102 return Action::state_ptr(new AtomAddState( position, elemental, first->getId()));58 return Action::state_ptr(new AtomAddState(first->getId(), params)); 103 59 } 104 60 … … 116 72 117 73 atom * first = World::getInstance().createAtom(); 118 first->setType(state-> elemental);119 first->setPosition(state->p osition);120 DoLog(1) && (Log() << Verbose(1) << "Re-adding new atom with element " << state-> elemental->getName() << " at " << state->position << "." << endl);74 first->setType(state->params.elemental); 75 first->setPosition(state->params.position); 76 DoLog(1) && (Log() << Verbose(1) << "Re-adding new atom with element " << state->params.elemental->getName() << " at " << state->params.position << "." << endl); 121 77 // TODO: remove when all of World's atoms are stored. 122 78 std::vector<molecule *> molecules = World::getInstance().getAllMolecules(); … … 142 98 return NAME; 143 99 } 100 /** =========== end of function ====================== */
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