Changeset d61161 for src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp

Timestamp:

Nov 19, 2012, 10:27:51 AM (12 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:

d5307b

Parents:

286a967 (diff), 315351 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'michi-list-query-validator' into stable

File:

• src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp (moved) (moved from src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp ) (4 diffs)

src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp

@@ -22 +22 @@
 
 /*
- * NotAllAtomsInsideSphereAction.cpp
+ * NotAllAtomsInsideVolumeAction.cpp
  *
  *  Created on: Aug 9, 2010
@@ -41 +41 @@
 #include "CodePatterns/Verbose.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "Shapes/BaseShapes.hpp"
-#include "Shapes/Shape.hpp"
-#include "Shapes/ShapeOps.hpp"
+#include "Shapes/ShapeRegistry.hpp"
 #include "World.hpp"
 
@@ -50 +48 @@
 #include <string>
 
-#include "NotAllAtomsInsideSphereAction.hpp"
+#include "NotAllAtomsInsideVolumeAction.hpp"
 
 using namespace MoleCuilder;
 
 // and construct the stuff
-#include "NotAllAtomsInsideSphereAction.def"
+#include "NotAllAtomsInsideVolumeAction.def"
 #include "Action_impl_pre.hpp"
 /** =========== define the function ====================== */
-Action::state_ptr SelectionNotAllAtomsInsideSphereAction::performCall() {
-  LOG(1, "Unselecting all atoms inside a sphere at " << params.position.get() << " with radius " << params.radius.get() << ".");
-  Shape s = translate(resize(Sphere(),params.radius.get()),params.position.get());
-  std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms((!AtomsBySelection()) && AtomsByShape(s));
-  World::getInstance().unselectAllAtoms(AtomsByShape(s));
+Action::state_ptr SelectionNotAllAtomsInsideVolumeAction::performCall() {
+  LOG(1, "Unselecting all atoms inside a volume.");
+  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
+  if (selectedShapes.size() != 1){
+    ELOG(1, "SelectionNotAllAtomsInsideVolumeAction::performCall(): there has to be exactly 1 selected shape.");
+    return Action::failure;
+  }
+  std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms((!AtomsBySelection()) && AtomsByShape(*selectedShapes[0]));
+  World::getInstance().unselectAllAtoms(AtomsByShape(*selectedShapes[0]));
   LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
-  return Action::state_ptr(new SelectionNotAllAtomsInsideSphereState(unselectedAtoms, s, params));
+  return Action::state_ptr(new SelectionNotAllAtomsInsideVolumeState(unselectedAtoms, params));
 }
 
-Action::state_ptr SelectionNotAllAtomsInsideSphereAction::performUndo(Action::state_ptr _state) {
-  SelectionNotAllAtomsInsideSphereState *state = assert_cast<SelectionNotAllAtomsInsideSphereState*>(_state.get());
+Action::state_ptr SelectionNotAllAtomsInsideVolumeAction::performUndo(Action::state_ptr _state) {
+  SelectionNotAllAtomsInsideVolumeState *state = assert_cast<SelectionNotAllAtomsInsideVolumeState*>(_state.get());
 
-  World::getInstance().selectAllAtoms(AtomsByShape(state->s));
+  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
+  if (selectedShapes.size() != 1)
+    return Action::failure;
+  World::getInstance().selectAllAtoms(AtomsByShape(*selectedShapes[0]));
   BOOST_FOREACH(atom *_atom, state->unselectedAtoms)
     World::getInstance().unselectAtom(_atom);
@@ -77 +82 @@
 }
 
-Action::state_ptr SelectionNotAllAtomsInsideSphereAction::performRedo(Action::state_ptr _state){
-  SelectionNotAllAtomsInsideSphereState *state = assert_cast<SelectionNotAllAtomsInsideSphereState*>(_state.get());
+Action::state_ptr SelectionNotAllAtomsInsideVolumeAction::performRedo(Action::state_ptr _state){
+  //SelectionNotAllAtomsInsideVolumeState *state = assert_cast<SelectionNotAllAtomsInsideVolumeState*>(_state.get());
 
-  World::getInstance().unselectAllAtoms(AtomsByShape(state->s));
+  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
+  if (selectedShapes.size() != 1)
+    return Action::failure;
+  World::getInstance().unselectAllAtoms(AtomsByShape(*selectedShapes[0]));
 
   return Action::state_ptr(_state);
 }
 
-bool SelectionNotAllAtomsInsideSphereAction::canUndo() {
+bool SelectionNotAllAtomsInsideVolumeAction::canUndo() {
   return true;
 }
 
-bool SelectionNotAllAtomsInsideSphereAction::shouldUndo() {
+bool SelectionNotAllAtomsInsideVolumeAction::shouldUndo() {
   return true;
 }