Changeset f7c7cf for src/Actions/SelectionAction/Atoms

Timestamp:

Oct 26, 2012, 1:11:18 PM (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:

be6b3a

Parents:

3a51bd

git-author:

Frederik Heber <heber@…> (09/21/12 13:07:26)

git-committer:

Frederik Heber <heber@…> (10/26/12 13:11:18)

Message:

Selection(Not)AtomById now works on multiple ids.

• this closed ticket #189.

Location:

src/Actions/SelectionAction/Atoms

Files:

• AtomByIdAction.cpp (modified) (3 diffs)
• AtomByIdAction.def (modified) (3 diffs)
• NotAtomByIdAction.cpp (modified) (3 diffs)
• NotAtomByIdAction.def (modified) (2 diffs)

src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp

@@ -52 +52 @@
 #include "Action_impl_pre.hpp"
 /** =========== define the function ====================== */
-Action::state_ptr SelectionAtomByIdAction::performCall() {
-  const atom *Walker = World::getInstance().getAtom(AtomById(params.WalkerId.get()));
-  if (Walker != NULL) {
-    if (!World::getInstance().isSelected(Walker)) {
-      LOG(1, "Selecting atom " << *Walker);
-      World::getInstance().selectAtom(Walker);
-      LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
-      return Action::state_ptr(new SelectionAtomByIdState(params));
+Action::state_ptr SelectionAtomByIdAction::performCall()
+{
+  enum Sucess {
+    NoStatus,
+    AllAtomsUnselected,
+    AtomsSelected,
+    AtomMissing
+  } status = NoStatus;
+  const atomids_t atomids = params.atomids.get();
+  atomids_t undoatomids;
+  undoatomids.reserve(atomids.size());
+  for (atomids_t::const_iterator iter = atomids.begin(); iter != atomids.end(); ++iter) {
+    const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
+    if (Walker != NULL) {
+      if (!World::getInstance().isSelected(Walker)) {
+        LOG(1, "Selecting atom " << *Walker);
+        World::getInstance().selectAtom(Walker);
+        undoatomids.push_back(*iter);
+        if (status < AtomMissing)
+          status = AtomsSelected;
+      } else {
+        if (status == NoStatus)
+          status = AllAtomsUnselected;
+      }
     } else {
+      status = AtomMissing;
+    }
+  }
+  LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
+
+  switch (status) {
+    case AtomMissing:
+      return Action::failure;
+      break;
+    case AllAtomsUnselected:
       return Action::success;
-    }
-  } else {
-    return Action::failure;
+      break;
+    case AtomsSelected:
+      return Action::state_ptr(new SelectionAtomByIdState(undoatomids, params));
+      break;
+    default:
+      ASSERT(0, "SelectionAtomByIdAction::performCall() - this must not happen.");
+      return Action::failure;
+      break;
   }
 }
@@ -71 +102 @@
   SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
 
-  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
-  World::getInstance().unselectAtom(Walker);
+  for (atomids_t::const_iterator iter = state->undoatomids.begin();
+      iter != state->undoatomids.end(); ++iter) {
+    const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
+    World::getInstance().unselectAtom(Walker);
+  }
 
   return Action::state_ptr(_state);
@@ -80 +114 @@
   SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
 
-  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
-  World::getInstance().selectAtom(Walker);
+  for (atomids_t::const_iterator iter = state->undoatomids.begin();
+      iter != state->undoatomids.end(); ++iter) {
+    const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
+    World::getInstance().selectAtom(Walker);
+  }
 
   return Action::state_ptr(_state);

src/Actions/SelectionAction/Atoms/AtomByIdAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
-class atom;
+#include <vector>
+#include "types.hpp"
 
+typedef std::vector<atomId_t> atomids_t;
+
+#include "Parameters/Validators/STLVectorValidator.hpp"
 #include "Parameters/Validators/Specific/AtomIdValidator.hpp"
 
@@ -14 +18 @@
 // 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 (atomId_t)
+#define paramtypes (atomids_t)
 #define paramtokens ("select-atom-by-id")
-#define paramdescriptions ("atom index")
+#define paramdescriptions ("atom indices to select")
 #undef paramdefaults
-#define paramreferences (WalkerId)
+#define paramreferences (atomids)
 #define paramvalids \
-(AtomIdValidator())
+(STLVectorValidator< std::vector<atomId_t> >(AtomIdValidator()))
 
-#undef statetypes
-#undef statereferences
+
+#define statetypes (atomids_t)
+#define statereferences (undoatomids)
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS
@@ -34 +39 @@
 
 // finally the information stored in the ActionTrait specialization
-#define DESCRIPTION "select an atom by index"
+#define DESCRIPTION "select atom(s) by index"
 #undef SHORTFORM

src/Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp

@@ -52 +52 @@
 #include "Action_impl_pre.hpp"
 /** =========== define the function ====================== */
-Action::state_ptr SelectionNotAtomByIdAction::performCall() {
-  const atom * Walker = World::getInstance().getAtom(AtomById(params.WalkerId.get()));
-  if (Walker != NULL) {
-    if (World::getInstance().isSelected(Walker)) {
-      LOG(1, "Unselecting atom " << *Walker);
-      World::getInstance().unselectAtom(Walker);
-      LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
-      return Action::state_ptr(new SelectionNotAtomByIdState(params));
+Action::state_ptr SelectionNotAtomByIdAction::performCall()
+{
+  enum Sucess {
+    NoStatus,
+    AllAtomsSelected,
+    AtomsUnselected,
+    AtomMissing
+  } status = NoStatus;
+  const atomids_t atomids = params.atomids.get();
+  atomids_t undoatomids;
+  undoatomids.reserve(atomids.size());
+  for (atomids_t::const_iterator iter = atomids.begin(); iter != atomids.end(); ++iter) {
+    const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
+    if (Walker != NULL) {
+      if (World::getInstance().isSelected(Walker)) {
+        LOG(1, "Unselecting atom " << *Walker);
+        World::getInstance().unselectAtom(Walker);
+        undoatomids.push_back(*iter);
+        if (status < AtomMissing)
+          status = AtomsUnselected;
+      } else {
+        if (status == NoStatus)
+          status = AllAtomsSelected;
+      }
     } else {
+      status = AtomMissing;
+    }
+  }
+  LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
+
+  switch (status) {
+    case AtomMissing:
+      return Action::failure;
+      break;
+    case AllAtomsSelected:
       return Action::success;
-    }
-  } else {
-    return Action::failure;
+      break;
+    case AtomsUnselected:
+      return Action::state_ptr(new SelectionNotAtomByIdState(undoatomids, params));
+      break;
+    default:
+      ASSERT(0, "SelectionAtomByIdAction::performCall() - this must not happen.");
+      return Action::failure;
+      break;
   }
 }
@@ -71 +102 @@
   SelectionNotAtomByIdState *state = assert_cast<SelectionNotAtomByIdState*>(_state.get());
 
-  const atom * Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
-  World::getInstance().selectAtom(Walker);
+  for (atomids_t::const_iterator iter = state->undoatomids.begin();
+      iter != state->undoatomids.end(); ++iter) {
+    const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
+    World::getInstance().selectAtom(Walker);
+  }
 
   return Action::state_ptr(_state);
@@ -80 +114 @@
   SelectionNotAtomByIdState *state = assert_cast<SelectionNotAtomByIdState*>(_state.get());
 
-  const atom * Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId.get()));
-  World::getInstance().unselectAtom(Walker);
+  for (atomids_t::const_iterator iter = state->undoatomids.begin();
+      iter != state->undoatomids.end(); ++iter) {
+    const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
+    World::getInstance().unselectAtom(Walker);
+  }
 
   return Action::state_ptr(_state);

src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
-class atom;
+#include <vector>
+#include "types.hpp"
 
+typedef std::vector<atomId_t> atomids_t;
+
+#include "Parameters/Validators/STLVectorValidator.hpp"
 #include "Parameters/Validators/Specific/AtomIdValidator.hpp"
 
@@ -14 +18 @@
 // 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 (atomId_t)
+#define paramtypes (atomids_t)
 #define paramtokens ("unselect-atom-by-id")
-#define paramdescriptions ("atom index")
+#define paramdescriptions ("atom indices to unselect")
 #undef paramdefaults
-#define paramreferences (WalkerId)
+#define paramreferences (atomids)
 #define paramvalids \
-(AtomIdValidator())
+(STLVectorValidator< std::vector<atomId_t> >(AtomIdValidator()))
 
-#undef statetypes
-#undef statereferences
+
+#define statetypes (atomids_t)
+#define statereferences (undoatomids)
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS