Changeset f10b0c for src/Actions/SelectionAction/Atoms

Timestamp:

Jun 11, 2012, 9:53:19 AM (13 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:

95f965

Parents:

b9c69d

git-author:

Michael Ankele <ankele@…> (04/24/12 13:55:16)

git-committer:

Frederik Heber <heber@…> (06/11/12 09:53:19)

Message:

disastrously big and ugly commit

• using new Parameter<T> classes:
  • Actions
  • Queries (all UIs)

• TODO:
  • actions crash cause Value is unset
  • no query<BoxVector>

Location:

src/Actions/SelectionAction/Atoms

Files:

• AllAtomsInsideCuboidAction.cpp (modified) (1 diff)
• AllAtomsInsideSphereAction.cpp (modified) (1 diff)
• AtomByElementAction.cpp (modified) (3 diffs)
• AtomByIdAction.cpp (modified) (3 diffs)
• AtomByOrderAction.cpp (modified) (1 diff)
• NotAllAtomsInsideCuboidAction.cpp (modified) (1 diff)
• NotAllAtomsInsideSphereAction.cpp (modified) (1 diff)
• NotAtomByElementAction.cpp (modified) (3 diffs)
• NotAtomByIdAction.cpp (modified) (3 diffs)
• NotAtomByOrderAction.cpp (modified) (1 diff)

src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp

@@ -47 +47 @@
   RealSpaceMatrix RotationMatrix;
 
-  RotationMatrix.setRotation(params.Xangle, params.Yangle, params.Zangle);
+  RotationMatrix.setRotation(params.Xangle.get(), params.Yangle.get(), params.Zangle.get());
 
-  LOG(1, "Selecting all atoms inside a rotated " << RotationMatrix << " cuboid at " << params.position << " and extension of " << params.extension << ".");
-  Shape s = translate(transform(stretch(Cuboid(),params.extension),RotationMatrix),params.position);
+  LOG(1, "Selecting all atoms inside a rotated " << RotationMatrix << " cuboid at " << params.position.get() << " and extension of " << params.extension.get() << ".");
+  Shape s = translate(transform(stretch(Cuboid(),params.extension.get()),RotationMatrix),params.position.get());
   std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection() && AtomsByShape(s));
   World::getInstance().selectAllAtoms(AtomsByShape(s));

src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp

@@ -44 +44 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionAllAtomsInsideSphereAction::performCall() {
-  LOG(1, "Selecting all atoms inside a sphere at " << params.position << " with radius " << params.radius << ".");
-  Shape s = translate(resize(Sphere(),params.radius),params.position);
+  LOG(1, "Selecting 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 *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection() && AtomsByShape(s));
   World::getInstance().selectAllAtoms(AtomsByShape(s));

src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp

@@ -41 +41 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionAtomByElementAction::performCall() {
-  LOG(1, "Selecting atoms of type " << *params.elemental);
+  LOG(1, "Selecting atoms of type " << *params.elemental.get());
   std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection());
-  World::getInstance().selectAllAtoms(AtomByType(params.elemental));
+  World::getInstance().selectAllAtoms(AtomByType(params.elemental.get()));
   LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
   return Action::state_ptr(new SelectionAtomByElementState(selectedAtoms,params));
@@ -51 +51 @@
   SelectionAtomByElementState *state = assert_cast<SelectionAtomByElementState*>(_state.get());
 
-  World::getInstance().unselectAllAtoms(AtomByType(state->params.elemental));
+  World::getInstance().unselectAllAtoms(AtomByType(state->params.elemental.get()));
   BOOST_FOREACH(atom *_atom, state->selectedAtoms)
     World::getInstance().selectAtom(_atom);
@@ -61 +61 @@
   SelectionAtomByElementState *state = assert_cast<SelectionAtomByElementState*>(_state.get());
 
-  World::getInstance().selectAllAtoms(AtomByType(state->params.elemental));
+  World::getInstance().selectAllAtoms(AtomByType(state->params.elemental.get()));
 
   return Action::state_ptr(_state);

src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp

@@ -38 +38 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionAtomByIdAction::performCall() {
-  const atom *Walker = World::getInstance().getAtom(AtomById(params.WalkerId));
+  const atom *Walker = World::getInstance().getAtom(AtomById(params.WalkerId.get()));
   if (Walker != NULL) {
     if (!World::getInstance().isSelected(Walker)) {
@@ -56 +56 @@
   SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
 
-  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId));
+  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
   World::getInstance().unselectAtom(Walker);
 
@@ -65 +65 @@
   SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
 
-  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId));
+  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
   World::getInstance().selectAtom(Walker);
 

src/Actions/SelectionAction/Atoms/AtomByOrderAction.cpp

@@ -39 +39 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionAtomByOrderAction::performCall() {
-  const atom *Walker = World::getInstance().getAtom(AtomByOrder(params.order));
+  const atom *Walker = World::getInstance().getAtom(AtomByOrder(params.order.get()));
   if (Walker != NULL) {
     if (!World::getInstance().isSelected(Walker)) {

src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp

@@ -46 +46 @@
 Action::state_ptr SelectionNotAllAtomsInsideCuboidAction::performCall() {
   RealSpaceMatrix RotationMatrix;
-  RotationMatrix.setRotation(params.Xangle, params.Yangle, params.Zangle);
+  RotationMatrix.setRotation(params.Xangle.get(), params.Yangle.get(), params.Zangle.get());
 
-  LOG(1, "Unselecting all atoms inside a rotated " << RotationMatrix << " cuboid at " << params.position << " and extension of " << params.extension << ".");
-  Shape s = translate(transform(stretch(Cuboid(),params.extension),RotationMatrix),params.position);
+  LOG(1, "Unselecting all atoms inside a rotated " << RotationMatrix << " cuboid at " << params.position.get() << " and extension of " << params.extension.get() << ".");
+  Shape s = translate(transform(stretch(Cuboid(),params.extension.get()),RotationMatrix),params.position.get());
   std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms((!AtomsBySelection()) && AtomsByShape(s));
   World::getInstance().unselectAllAtoms(AtomsByShape(s));

src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp

@@ -44 +44 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionNotAllAtomsInsideSphereAction::performCall() {
-  LOG(1, "Unselecting all atoms inside a sphere at " << params.position << " with radius " << params.radius << ".");
-  Shape s = translate(resize(Sphere(),params.radius),params.position);
+  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));

src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp

@@ -41 +41 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionNotAtomByElementAction::performCall() {
-  LOG(1, "Unselecting atoms of type " << *params.elemental);
+  LOG(1, "Unselecting atoms of type " << *params.elemental.get());
   std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms(!AtomsBySelection());
-  World::getInstance().unselectAllAtoms(AtomByType(params.elemental));
+  World::getInstance().unselectAllAtoms(AtomByType(params.elemental.get()));
   LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
   return Action::state_ptr(new SelectionNotAtomByElementState(unselectedAtoms,params));
@@ -51 +51 @@
   SelectionNotAtomByElementState *state = assert_cast<SelectionNotAtomByElementState*>(_state.get());
 
-  World::getInstance().selectAllAtoms(AtomByType(state->params.elemental));
+  World::getInstance().selectAllAtoms(AtomByType(state->params.elemental.get()));
   BOOST_FOREACH(atom *_atom, state->unselectedAtoms)
     World::getInstance().unselectAtom(_atom);
@@ -61 +61 @@
   SelectionNotAtomByElementState *state = assert_cast<SelectionNotAtomByElementState*>(_state.get());
 
-  World::getInstance().unselectAllAtoms(AtomByType(state->params.elemental));
+  World::getInstance().unselectAllAtoms(AtomByType(state->params.elemental.get()));
 
   return Action::state_ptr(_state);

src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp

@@ -38 +38 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionNotAtomByIdAction::performCall() {
-  const atom * Walker = World::getInstance().getAtom(AtomById(params.WalkerId));
+  const atom * Walker = World::getInstance().getAtom(AtomById(params.WalkerId.get()));
   if (Walker != NULL) {
     if (World::getInstance().isSelected(Walker)) {
@@ -56 +56 @@
   SelectionNotAtomByIdState *state = assert_cast<SelectionNotAtomByIdState*>(_state.get());
 
-  const atom * Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId));
+  const atom * Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
   World::getInstance().selectAtom(Walker);
 
@@ -65 +65 @@
   SelectionNotAtomByIdState *state = assert_cast<SelectionNotAtomByIdState*>(_state.get());
 
-  const atom * Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId));
+  const atom * Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
   World::getInstance().unselectAtom(Walker);
 

src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp

@@ -39 +39 @@
 /** =========== define the function ====================== */
 Action::state_ptr SelectionNotAtomByOrderAction::performCall() {
-  const atom * Walker = World::getInstance().getAtom(AtomByOrder(params.order));
+  const atom * Walker = World::getInstance().getAtom(AtomByOrder(params.order.get()));
   if (Walker != NULL) {
     if (World::getInstance().isSelected(Walker)) {