Changeset 0716eac for src/Actions/SelectionAction/Atoms

Timestamp:

Jul 12, 2017, 7:10:22 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, Candidate_v1.7.0, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_Verbose_Codepatterns, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, stable

Children:

3b74fa

Parents:

f56e14

git-author:

Frederik Heber <frederik.heber@…> (05/09/17 11:07:11)

git-committer:

Frederik Heber <frederik.heber@…> (07/12/17 19:10:22)

Message:

SelectMoleculeByOrder and SelectionAtomByOrder now allows multiple indices.

• of course, this is also true for unselection.

Location:

src/Actions/SelectionAction/Atoms

Files:

• AtomByOrderAction.cpp (modified) (3 diffs)
• AtomByOrderAction.def (modified) (1 diff)
• NotAtomByOrderAction.cpp (modified) (3 diffs)
• NotAtomByOrderAction.def (modified) (1 diff)

src/Actions/SelectionAction/Atoms/AtomByOrderAction.cpp

@@ -54 +54 @@
 /** =========== define the function ====================== */
 ActionState::ptr SelectionAtomByOrderAction::performCall() {
-  const atom *Walker = const_cast<const World &>(World::getInstance()).
-      getAtom(AtomByOrder(params.order.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 ActionState::ptr(new SelectionAtomByOrderState(Walker->getId(), params));
+  size_t no_selected = 0;
+  const std::vector<int> &indices = params.orders.get();
+  std::vector<atomId_t> atomids;
+  const World &const_world = World::getConstInstance();
+  World &world = World::getInstance();
+  for( std::vector<int>::const_iterator iter = indices.begin();
+      iter != indices.end(); ++iter) {
+    const atom * const walker = const_world.getAtom(AtomByOrder(*iter));
+
+    if (walker != NULL) {
+      if (!const_world.isSelected(walker)) {
+        //LOG(1, "Selecting atom " << *walker);
+        world.selectAtom(walker);
+        atomids.push_back(walker->getId());
+        ++no_selected;
+      }
     } else {
-      return Action::success;
+      STATUS("Cannot find atom by given index "+toString(*iter)+".");
+      return Action::failure;
     }
+  }
+
+  LOG(0, no_selected << " atoms additionally selected.");
+  if (no_selected != 0) {
+    return ActionState::ptr(new SelectionAtomByOrderState(atomids, params));
   } else {
-    STATUS("Cannot find atom by given order of "+toString(params.order.get())+".");
-    return Action::failure;
+    return Action::success;
   }
 }
@@ -74 +87 @@
   SelectionAtomByOrderState *state = assert_cast<SelectionAtomByOrderState*>(_state.get());
 
-  World::getInstance().unselectAllAtoms(AtomById(state->WalkerId));
+  World &world = World::getInstance();
+  for (std::vector<atomId_t>::const_iterator iter = state->WalkerIds.begin();
+      iter != state->WalkerIds.end(); ++iter)
+    world.unselectAllAtoms(AtomById(*iter));
 
   return ActionState::ptr(_state);
@@ -82 +98 @@
   SelectionAtomByOrderState *state = assert_cast<SelectionAtomByOrderState*>(_state.get());
 
-  World::getInstance().selectAllAtoms(AtomById(state->WalkerId));
+  World &world = World::getInstance();
+  for (std::vector<atomId_t>::const_iterator iter = state->WalkerIds.begin();
+      iter != state->WalkerIds.end(); ++iter)
+    world.selectAllAtoms(AtomById(*iter));
 
   return ActionState::ptr(_state);

src/Actions/SelectionAction/Atoms/AtomByOrderAction.def

@@ -9 +9 @@
 class atom;
 
-#include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/STLVectorValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
 // 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 (int)
+#define paramtypes (std::vector<int>)
 #define paramtokens ("select-atom-by-order")
-#define paramdescriptions ("order index")
+#define paramdescriptions ("order order indices, starting at 1 or -1")
 #undef paramdefaults
-#define paramreferences (order)
+#define paramreferences (orders)
 #define paramvalids \
-(DummyValidator< int >())
+(STLVectorValidator< std::vector< int > >(1, 99))
 
-#define statetypes (atomId_t)
-#define statereferences (WalkerId)
+#define statetypes (std::vector<atomId_t>)
+#define statereferences (WalkerIds)
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS

src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp

@@ -54 +54 @@
 /** =========== define the function ====================== */
 ActionState::ptr SelectionNotAtomByOrderAction::performCall() {
-  const atom * Walker = const_cast<const World &>(World::getInstance()).
-      getAtom(AtomByOrder(params.order.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 ActionState::ptr(new SelectionNotAtomByOrderState(Walker->getId(), params));
+  size_t no_unselected = 0;
+  const std::vector<int> &indices = params.orders.get();
+  std::vector<atomId_t> atomids;
+  const World &const_world = World::getConstInstance();
+  World &world = World::getInstance();
+  for( std::vector<int>::const_iterator iter = indices.begin();
+      iter != indices.end(); ++iter) {
+    const atom * const walker = const_world.getAtom(AtomByOrder(*iter));
+
+    if (walker != NULL) {
+      if (const_world.isSelected(walker)) {
+        //LOG(1, "Unselecting atom " << *walker);
+        world.unselectAtom(walker);
+        atomids.push_back(walker->getId());
+        ++no_unselected;
+      }
     } else {
-      return Action::success;
+      STATUS("Cannot find atom by given index "+toString(*iter)+".");
+      return Action::failure;
     }
+  }
+
+  LOG(0, no_unselected << " atoms additionally unselected.");
+  if (no_unselected != 0) {
+    return ActionState::ptr(new SelectionNotAtomByOrderState(atomids, params));
   } else {
-    STATUS("Cannot find atom by given order of "+toString(params.order.get())+".");
-    return Action::failure;
+    return Action::success;
   }
 }
@@ -74 +87 @@
   SelectionNotAtomByOrderState *state = assert_cast<SelectionNotAtomByOrderState*>(_state.get());
 
-  World::getInstance().selectAllAtoms(AtomById(state->WalkerId));
+  World &world = World::getInstance();
+  for (std::vector<atomId_t>::const_iterator iter = state->WalkerIds.begin();
+      iter != state->WalkerIds.end(); ++iter)
+    world.selectAllAtoms(AtomById(*iter));
 
   return ActionState::ptr(_state);
@@ -82 +98 @@
   SelectionNotAtomByOrderState *state = assert_cast<SelectionNotAtomByOrderState*>(_state.get());
 
-  World::getInstance().unselectAllAtoms(AtomById(state->WalkerId));
+  World &world = World::getInstance();
+  for (std::vector<atomId_t>::const_iterator iter = state->WalkerIds.begin();
+      iter != state->WalkerIds.end(); ++iter)
+    world.unselectAllAtoms(AtomById(*iter));
 
   return ActionState::ptr(_state);

src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.def

@@ -9 +9 @@
 class atom;
 
-#include "Parameters/Validators/DummyValidator.hpp"
+#include "Parameters/Validators/STLVectorValidator.hpp"
 
 // i.e. there is an integer with variable name Z that can be found in
 // 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 (int)
+#define paramtypes (std::vector<int>)
 #define paramtokens ("unselect-atom-by-order")
-#define paramdescriptions ("order index")
+#define paramdescriptions ("order order indices, starting at 1 or -1")
 #undef paramdefaults
-#define paramreferences (order)
+#define paramreferences (orders)
 #define paramvalids \
-(DummyValidator< int >())
+(STLVectorValidator< std::vector< int > >(1, 99))
 
-#define statetypes (atomId_t)
-#define statereferences (WalkerId)
+#define statetypes (std::vector<atomId_t>)
+#define statereferences (WalkerIds)
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS