Changeset 85537a for src/Actions

Timestamp:

Jul 25, 2010, 6:05:31 PM (15 years ago)

Author:

Frederik Heber <heber@…>

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:

0ae36b

Parents:

e2f3114

git-author:

Frederik Heber <heber@…> (07/25/10 18:04:50)

git-committer:

Frederik Heber <heber@…> (07/25/10 18:05:31)

Message:

BUGFIX: AtomAddAction::performCall() expect vector of elements instead of single element.

File:

• src/Actions/AtomAction/AddAction.cpp (modified) (1 diff)

src/Actions/AtomAction/AddAction.cpp

@@ -45 +45 @@
 
 Action::state_ptr AtomAddAction::performCall() {
-  std::vector<element *> elements;
+  element * elemental = NULL;
   Vector position;
 
   // obtain information
-  ValueStorage::getInstance().queryCurrentValue(NAME, elements);
+  ValueStorage::getInstance().queryCurrentValue(NAME, elemental);
   ValueStorage::getInstance().queryCurrentValue("position", position);
 
   // execute action
-  if (elements.size() == 1) {
-    atom * first = World::getInstance().createAtom();
-    first->type = *(elements.begin());
-    first->x = position;
-    DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl);
-    // TODO: remove when all of World's atoms are stored.
-    std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
-    if (!molecules.empty()) {
-      std::vector<molecule *>::iterator iter = molecules.begin();
-      (*iter)->AddAtom(first);
-    }
-    return Action::success;
-  } else {
-      DoeLog(1) && (eLog()<< Verbose(1) << "Could not find the specified element." << endl);
-      return Action::failure;
+  atom * first = World::getInstance().createAtom();
+  first->type = elemental;
+  first->x = position;
+  DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl);
+  // TODO: remove when all of World's atoms are stored.
+  std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
+  if (!molecules.empty()) {
+    std::vector<molecule *>::iterator iter = molecules.begin();
+    (*iter)->AddAtom(first);
   }
+  return Action::success;
 }