Changeset d61161 for src/Actions

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

Location:

src/Actions

Files:

• FillAction/FillSurfaceAction.cpp (moved) (moved from src/Actions/FillAction/FillSphericalSurfaceAction.cpp ) (9 diffs)
• FillAction/FillSurfaceAction.def (moved) (moved from src/Actions/FillAction/FillSphericalSurfaceAction.def ) (3 diffs)
• FillAction/FillSurfaceAction.hpp (moved) (moved from src/Actions/FillAction/FillSphericalSurfaceAction.hpp ) (3 diffs)
• GlobalListOfActions.hpp (modified) (2 diffs)
• Makefile.am (modified) (11 diffs)
• SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp (deleted)
• SelectionAction/Atoms/AllAtomsInsideCuboidAction.def (deleted)
• SelectionAction/Atoms/AllAtomsInsideCuboidAction.hpp (deleted)
• SelectionAction/Atoms/AllAtomsInsideSphereAction.def (deleted)
• SelectionAction/Atoms/AllAtomsInsideSphereAction.hpp (deleted)
• SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp (moved) (moved from src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp ) (4 diffs)
• SelectionAction/Atoms/AllAtomsInsideVolumeAction.def (added)
• SelectionAction/Atoms/AllAtomsInsideVolumeAction.hpp (added)
• SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp (deleted)
• SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def (deleted)
• SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.hpp (deleted)
• SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def (deleted)
• SelectionAction/Atoms/NotAllAtomsInsideSphereAction.hpp (deleted)
• SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp (moved) (moved from src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp ) (4 diffs)
• SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.def (added)
• SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.hpp (added)
• SelectionAction/Shapes/AllShapesAction.cpp (added)
• SelectionAction/Shapes/AllShapesAction.def (added)
• SelectionAction/Shapes/AllShapesAction.hpp (added)
• SelectionAction/Shapes/NotAllShapesAction.cpp (added)
• SelectionAction/Shapes/NotAllShapesAction.def (added)
• SelectionAction/Shapes/NotAllShapesAction.hpp (added)
• SelectionAction/Shapes/NotShapeByNameAction.cpp (added)
• SelectionAction/Shapes/NotShapeByNameAction.def (added)
• SelectionAction/Shapes/NotShapeByNameAction.hpp (added)
• SelectionAction/Shapes/ShapeByNameAction.cpp (added)
• SelectionAction/Shapes/ShapeByNameAction.def (added)
• SelectionAction/Shapes/ShapeByNameAction.hpp (added)
• ShapeAction/CombineShapesAction.cpp (added)
• ShapeAction/CombineShapesAction.def (added)
• ShapeAction/CombineShapesAction.hpp (added)
• ShapeAction/CreateShapeAction.cpp (added)
• ShapeAction/CreateShapeAction.def (added)
• ShapeAction/CreateShapeAction.hpp (added)
• ShapeAction/RemoveShapeAction.cpp (added)
• ShapeAction/RemoveShapeAction.def (added)
• ShapeAction/RemoveShapeAction.hpp (added)

src/Actions/FillAction/FillSurfaceAction.cpp

@@ -22 +22 @@
 
 /*
- * FillSphericalSurfaceAction.cpp
+ * FillSurfaceAction.cpp
  *
  *  Created on: Mar 29, 2012
@@ -48 +48 @@
 #include "molecule.hpp"
 #include "Shapes/BaseShapes.hpp"
+#include "Shapes/ShapeRegistry.hpp"
 #include "World.hpp"
 
@@ -58 +59 @@
 #include <vector>
 
-#include "Actions/FillAction/FillSphericalSurfaceAction.hpp"
+#include "Actions/FillAction/FillSurfaceAction.hpp"
 
 using namespace MoleCuilder;
 
 // and construct the stuff
-#include "FillSphericalSurfaceAction.def"
+#include "FillSurfaceAction.def"
 #include "Action_impl_pre.hpp"
 /** =========== define the function ====================== */
-Action::state_ptr FillSphericalSurfaceAction::performCall() {
+Action::state_ptr FillSurfaceAction::performCall() {
   // get the filler molecule
   const std::vector< molecule *> molecules = World::getInstance().getSelectedMolecules();
@@ -99 +100 @@
 
   // create predicate, mesh, and filler
-  FillSphericalSurfaceState *UndoState = NULL;
+  FillSurfaceState *UndoState = NULL;
   bool successflag = false;
   {
@@ -107 +108 @@
             )
         );
-    Shape s = Sphere(params.center.get(), params.radius.get());
+
+
+    std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
+    if (selectedShapes.size() != 1){
+      ELOG(1, "FillSurfaceAction::performCall(): there has to be exactly 1 selected shape.");
+      return Action::failure;
+    }
+
     boost::function<const NodeSet ()> func = 
-        boost::bind(&Shape::getHomogeneousPointsOnSurface, boost::ref(s), params.N.get());
+        boost::bind(&Shape::getHomogeneousPointsOnSurface, boost::ref(*selectedShapes[0]), params.N.get());
     Mesh *mesh = new MeshAdaptor(func);
     Inserter *inserter = new Inserter(
-        Inserter::impl_ptr(new SurfaceInserter(s, params.AlignedAxis.get())));
+        Inserter::impl_ptr(new SurfaceInserter(*selectedShapes[0], params.AlignedAxis.get())));
 
     // fill
@@ -150 +158 @@
         std::transform(filler->begin(), filler->end(), MovedToVector.begin(),
             boost::bind(&AtomInfo::getPosition, _1) );
-        UndoState = new FillSphericalSurfaceState(clonedatominfos,clonedbonds,movedatoms,MovedToVector,params);
+        UndoState = new FillSurfaceState(clonedatominfos,clonedbonds,movedatoms,MovedToVector,params);
       }
     }
@@ -166 +174 @@
 }
 
-Action::state_ptr FillSphericalSurfaceAction::performUndo(Action::state_ptr _state) {
-  FillSphericalSurfaceState *state = assert_cast<FillSphericalSurfaceState*>(_state.get());
+Action::state_ptr FillSurfaceAction::performUndo(Action::state_ptr _state) {
+  FillSurfaceState *state = assert_cast<FillSurfaceState*>(_state.get());
 
   // remove all created atoms
@@ -177 +185 @@
 }
 
-Action::state_ptr FillSphericalSurfaceAction::performRedo(Action::state_ptr _state){
-  FillSphericalSurfaceState *state = assert_cast<FillSphericalSurfaceState*>(_state.get());
+Action::state_ptr FillSurfaceAction::performRedo(Action::state_ptr _state){
+  FillSurfaceState *state = assert_cast<FillSurfaceState*>(_state.get());
 
   // place filler cluster again at new spot
@@ -194 +202 @@
 }
 
-bool FillSphericalSurfaceAction::canUndo() {
+bool FillSurfaceAction::canUndo() {
   return true;
 }
 
-bool FillSphericalSurfaceAction::shouldUndo() {
+bool FillSurfaceAction::shouldUndo() {
   return true;
 }

src/Actions/FillAction/FillSurfaceAction.def

@@ -1 +1 @@
 /*
- * FillRegularGridAction.def
+ * FillSurfaceAction.def
  *
  *  Created on: Mar 29, 2012
@@ -20 +20 @@
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
-#define paramtypes (Vector)(double)(unsigned int)(double)(Vector)
-#define paramtokens ("center")("radius")("count")("min-distance")("Alignment-Axis")
-#define paramdescriptions ("center of the sphere")("sphere size")("number of instances to be added, changed according to geometric needs")("minimum distance between added instances")("The filler molecule is rotated relative to this alignment axis")
-#define paramdefaults (PARAM_DEFAULT(Vector(0.,0.,0.)))(NOPARAM_DEFAULT)(PARAM_DEFAULT(12))(PARAM_DEFAULT(1.))(NOPARAM_DEFAULT)
-#define paramreferences (center)(radius)(N)(mindistance)(AlignedAxis)
+#define paramtypes (unsigned int)(double)(Vector)
+#define paramtokens ("count")("min-distance")("Alignment-Axis")
+#define paramdescriptions ("number of instances to be added, changed according to geometric needs")("minimum distance between added instances")("The filler molecule is rotated relative to this alignment axis")
+#define paramdefaults (PARAM_DEFAULT(12))(PARAM_DEFAULT(1.))(NOPARAM_DEFAULT)
+#define paramreferences (N)(mindistance)(AlignedAxis)
 #define paramvalids \
-(BoxVectorValidator()) \
-(BoxLengthValidator()) \
 (DummyValidator< unsigned int >()) \
 (BoxLengthValidator()) \
@@ -39 +37 @@
 #define MENUNAME "fill"
 #define MENUPOSITION 1
-#define ACTIONNAME SphericalSurface
-#define TOKEN "fill-spherical-surface"
+#define ACTIONNAME Surface
+#define TOKEN "fill-surface"
 
 
 // finally the information stored in the ActionTrait specialization
 #define DESCRIPTION "\
-fill homogenous points on a sphere surface with instances of the selected molecule."
+fill homogenous points on a shape's surface with instances of the selected molecule."
 #undef SHORTFORM

src/Actions/FillAction/FillSurfaceAction.hpp

@@ -1 +1 @@
 /*
- * FillSphericalSurfaceAction.hpp
+ * FillSurfaceAction.hpp
  *
  *  Created on: Mar 29, 2012
@@ -6 +6 @@
  */
 
-#ifndef FILLSPHERICALSURFACEACTION_HPP
-#define FILLSPHERICALSURFACEACTION_HPP
+#ifndef FILLSURFACEACTION_HPP
+#define FILLSURFACEACTION_HPP
 
 // include config.h
@@ -17 +17 @@
 #include "Actions/Action.hpp"
 
-#include "FillSphericalSurfaceAction.def"
+#include "FillSurfaceAction.def"
 #include "Action_impl_header.hpp"
 
-#endif // FILLSPHERICALSURFACEACTION_HPP
+#endif // FILLSURFACEACTION_HPP

src/Actions/GlobalListOfActions.hpp

@@ -101 +101 @@
   (SelectionNotAtomById) \
   (SelectionNotAtomByOrder) \
-  (SelectionAllAtomsInsideCuboid) \
   (SelectionAllAtoms) \
   (SelectionClearAllAtoms) \
@@ -107 +106 @@
   (SelectionNotAllAtoms) \
   (SelectionNotAtomByElement) \
-  (SelectionAllAtomsInsideSphere) \
+  (SelectionAllAtomsInsideVolume) \
   (SelectionAllAtomsOfMolecule) \
-  (SelectionNotAllAtomsInsideSphere) \
+  (SelectionNotAllAtomsInsideVolume) \
   (SelectionAtomByElement) \
   (SelectionNotAllAtomsOfMolecule) \
-  (SelectionNotAllAtomsInsideCuboid) \
   (SelectionAtomById) \
   (SelectionAtomByOrder) \
+  (SelectionAllShapes) \
+  (SelectionShapeByName) \
+  (SelectionNotAllShapes) \
+  (SelectionNotShapeByName) \
   (FragmentationFragmentation) \
   (FillRegularGrid) \
-  (FillSphericalSurface)
+  (FillSurface) \
+  (ShapeCombineShapes) \
+  (ShapeCreateShape) \
+  (ShapeRemoveShape)
 
 // we need to append the automation action in case we have the JobMarket

src/Actions/Makefile.am

@@ -60 +60 @@
   ${SELECTIONATOMACTIONSOURCE} \
   ${SELECTIONMOLECULEACTIONSOURCE} \
+  ${SELECTIONSHAPEACTIONSOURCE} \
+  ${SHAPEACTIONSOURCE} \
   ${TESSELATIONACTIONSOURCE} \
   $(UNDOACTIONSOURCE) \
@@ -76 +78 @@
   ${SELECTIONATOMACTIONHEADER} \
   ${SELECTIONMOLECULEACTIONHEADER} \
+  ${SELECTIONSHAPEACTIONHEADER} \
+  ${SHAPEACTIONHEADER} \
   ${TESSELATIONACTIONHEADER} \
   $(UNDOACTIONHEADER) \
@@ -92 +96 @@
   ${SELECTIONATOMACTIONDEFS} \
   ${SELECTIONMOLECULEACTIONDEFS} \
+  ${SELECTIONSHAPEACTIONDEFS} \
+  ${SHAPEACTIONDEFS} \
   ${TESSELATIONACTIONDEFS} \
   $(UNDOACTIONDEFS) \
@@ -182 +188 @@
 FILLACTIONSOURCE = \
         Actions/FillAction/FillRegularGridAction.cpp \
-        Actions/FillAction/FillSphericalSurfaceAction.cpp
+        Actions/FillAction/FillSurfaceAction.cpp
 FILLACTIONHEADER = \
         Actions/FillAction/FillRegularGridAction.hpp \
-        Actions/FillAction/FillSphericalSurfaceAction.hpp
+        Actions/FillAction/FillSurfaceAction.hpp
 FILLACTIONDEFS = \
         Actions/FillAction/FillRegularGridAction.def \
-        Actions/FillAction/FillSphericalSurfaceAction.def
+        Actions/FillAction/FillSurfaceAction.def
 
 
@@ -303 +309 @@
 SELECTIONATOMACTIONSOURCE = \
   Actions/SelectionAction/Atoms/AllAtomsAction.cpp \
-  Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp \
-  Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp \
+  Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp \
   Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp \
   Actions/SelectionAction/Atoms/AtomByElementAction.cpp \
@@ -312 +317 @@
   Actions/SelectionAction/Atoms/InvertAtomsAction.cpp \
   Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp \
-  Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp \
-  Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp \
+  Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp \
   Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp \
   Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp \
@@ -320 +324 @@
 SELECTIONATOMACTIONHEADER = \
   Actions/SelectionAction/Atoms/AllAtomsAction.hpp \
-  Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.hpp \
-  Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.hpp \
+  Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.hpp \
   Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.hpp \
   Actions/SelectionAction/Atoms/AtomByElementAction.hpp \
@@ -329 +332 @@
   Actions/SelectionAction/Atoms/InvertAtomsAction.hpp \
   Actions/SelectionAction/Atoms/NotAllAtomsAction.hpp \
-  Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.hpp \
-  Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.hpp \
+  Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.hpp \
   Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.hpp \
   Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp \
@@ -337 +339 @@
 SELECTIONATOMACTIONDEFS = \
   Actions/SelectionAction/Atoms/AllAtomsAction.def \
-  Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def \
-  Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def \
+  Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.def \
   Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def \
   Actions/SelectionAction/Atoms/AtomByElementAction.def \
@@ -346 +347 @@
   Actions/SelectionAction/Atoms/InvertAtomsAction.def \
   Actions/SelectionAction/Atoms/NotAllAtomsAction.def \
-  Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def \
-  Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def \
+  Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.def \
   Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def \
   Actions/SelectionAction/Atoms/NotAtomByElementAction.def \
@@ -398 +398 @@
   Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def \
   Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def
+                 
+SELECTIONSHAPEACTIONSOURCE = \
+  Actions/SelectionAction/Shapes/AllShapesAction.cpp \
+  Actions/SelectionAction/Shapes/ShapeByNameAction.cpp \
+  Actions/SelectionAction/Shapes/NotAllShapesAction.cpp \
+  Actions/SelectionAction/Shapes/NotShapeByNameAction.cpp
+SELECTIONSHAPEACTIONHEADER = \
+  Actions/SelectionAction/Shapes/AllShapesAction.hpp \
+  Actions/SelectionAction/Shapes/ShapeByNameAction.hpp \
+  Actions/SelectionAction/Shapes/NotAllShapesAction.hpp \
+  Actions/SelectionAction/Shapes/NotShapeByNameAction.hpp
+SELECTIONSHAPEACTIONDEFS = \
+  Actions/SelectionAction/Shapes/AllShapesAction.def \
+  Actions/SelectionAction/Shapes/ShapeByNameAction.def \
+  Actions/SelectionAction/Shapes/NotAllShapesAction.def \
+  Actions/SelectionAction/Shapes/NotShapeByNameAction.def
+        
+SHAPEACTIONSOURCE = \
+  Actions/ShapeAction/CombineShapesAction.cpp \
+  Actions/ShapeAction/CreateShapeAction.cpp \
+  Actions/ShapeAction/RemoveShapeAction.cpp
+SHAPEACTIONHEADER = \
+  Actions/ShapeAction/CombineShapesAction.hpp \
+  Actions/ShapeAction/CreateShapeAction.hpp \
+  Actions/ShapeAction/RemoveShapeAction.hpp
+SHAPEACTIONDEFS = \
+  Actions/ShapeAction/CombineShapesAction.def \
+  Actions/ShapeAction/CreateShapeAction.def \
+  Actions/ShapeAction/RemoveShapeAction.def
         
 TESSELATIONACTIONSOURCE = \
   Actions/TesselationAction/ConvexEnvelopeAction.cpp \
-  Actions/TesselationAction/NonConvexEnvelopeAction.cpp               
+  Actions/TesselationAction/NonConvexEnvelopeAction.cpp
 TESSELATIONACTIONHEADER = \
   Actions/TesselationAction/ConvexEnvelopeAction.hpp \

src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp

@@ -22 +22 @@
 
 /*
- * AllAtomsInsideSphereAction.cpp
+ * AllAtomsInsideVolumeAction.cpp
  *
  *  Created on: Aug 9, 2010
- *      Author: heber
+ *      Author: heber, ankele
  */
 
@@ -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 "AllAtomsInsideSphereAction.hpp"
+#include "AllAtomsInsideVolumeAction.hpp"
 
 using namespace MoleCuilder;
 
 // and construct the stuff
-#include "AllAtomsInsideSphereAction.def"
+#include "AllAtomsInsideVolumeAction.def"
 #include "Action_impl_pre.hpp"
 /** =========== define the function ====================== */
-Action::state_ptr SelectionAllAtomsInsideSphereAction::performCall() {
-  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));
+Action::state_ptr SelectionAllAtomsInsideVolumeAction::performCall() {
+  LOG(1, "Selecting all atoms inside a volume.");
+  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
+  if (selectedShapes.size() != 1){
+    ELOG(1, "SelectionAllAtomsInsideVolumeAction::performCall(): there has to be exactly 1 selected shape.");
+    return Action::failure;
+  }
+  std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection() && AtomsByShape(*selectedShapes[0]));
+  World::getInstance().selectAllAtoms(AtomsByShape(*selectedShapes[0]));
   LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
-  return Action::state_ptr(new SelectionAllAtomsInsideSphereState(selectedAtoms, s, params));
+  return Action::state_ptr(new SelectionAllAtomsInsideVolumeState(selectedAtoms, params));
 }
 
-Action::state_ptr SelectionAllAtomsInsideSphereAction::performUndo(Action::state_ptr _state) {
-  SelectionAllAtomsInsideSphereState *state = assert_cast<SelectionAllAtomsInsideSphereState*>(_state.get());
+Action::state_ptr SelectionAllAtomsInsideVolumeAction::performUndo(Action::state_ptr _state) {
+  SelectionAllAtomsInsideVolumeState *state = assert_cast<SelectionAllAtomsInsideVolumeState*>(_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]));
   BOOST_FOREACH(atom *_atom, state->selectedAtoms)
     World::getInstance().selectAtom(_atom);
@@ -77 +82 @@
 }
 
-Action::state_ptr SelectionAllAtomsInsideSphereAction::performRedo(Action::state_ptr _state){
-  SelectionAllAtomsInsideSphereState *state = assert_cast<SelectionAllAtomsInsideSphereState*>(_state.get());
+Action::state_ptr SelectionAllAtomsInsideVolumeAction::performRedo(Action::state_ptr _state){
+  //SelectionAllAtomsInsideVolumeState *state = assert_cast<SelectionAllAtomsInsideVolumeState*>(_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]));
 
   return Action::state_ptr(_state);
 }
 
-bool SelectionAllAtomsInsideSphereAction::canUndo() {
+bool SelectionAllAtomsInsideVolumeAction::canUndo() {
   return true;
 }
 
-bool SelectionAllAtomsInsideSphereAction::shouldUndo() {
+bool SelectionAllAtomsInsideVolumeAction::shouldUndo() {
   return true;
 }

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;
 }