Changeset 9a3882 for src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp

Timestamp:

Jul 5, 2017, 7:40:05 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_oldresults, IndependentFragmentGrids_IntegrationTest

Children:

3a0371

Parents:

d21668

git-author:

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

git-committer:

Frederik Heber <frederik.heber@…> (07/05/17 19:40:05)

Message:

SelectMoleculeByOrder and SelectionAtomByOrder now allows multiple indices.

• of course, this is also true for unselection.

File:

• src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp (modified) (3 diffs)

src/Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp

@@ -54 +54 @@
 
 ActionState::ptr SelectionNotMoleculeByOrderAction::performCall() {
-  const molecule *mol = const_cast<const World &>(World::getInstance()).
-      getMolecule(MoleculeByOrder(params.molindex.get()));
+  size_t no_unselected = 0;
+  const std::vector<int> &indices = params.molindices.get();
+  std::vector<const molecule *> mols;
+  for( std::vector<int>::const_iterator iter = indices.begin();
+      iter != indices.end(); ++iter) {
+    const molecule *mol = const_cast<const World &>(World::getInstance()).
+        getMolecule(MoleculeByOrder(*iter));
 
-  if (mol != NULL) {
-    if (World::getInstance().isSelected(mol)) {
-      LOG(1, "Unselecting molecule " << mol->name);
-      World::getInstance().unselectMolecule(mol);
-      LOG(0, World::getInstance().countSelectedMolecules() << " molecules remain selected.");
-      return ActionState::ptr(new SelectionNotMoleculeByOrderState(mol, params));
+    if (mol != NULL) {
+      if (World::getInstance().isSelected(mol)) {
+        //LOG(1, "Unselecting molecule " << mol->name);
+        World::getInstance().unselectMolecule(mol);
+        mols.push_back(mol);
+        ++no_unselected;
+      }
     } else {
-      return Action::success;
+      STATUS("Cannot find molecule by given index "+toString(*iter)+".");
+      return Action::failure;
     }
+  }
+
+  LOG(0, no_unselected << " molecules additionally unselected.");
+  if (no_unselected != 0) {
+    return ActionState::ptr(new SelectionNotMoleculeByOrderState(mols, params));
   } else {
-    STATUS("Cannot find molecule by given index "+toString(params.molindex.get())+".");
-    return Action::failure;
+    return Action::success;
   }
 }
@@ -75 +86 @@
   SelectionNotMoleculeByOrderState *state = assert_cast<SelectionNotMoleculeByOrderState*>(_state.get());
 
-  World::getInstance().selectMolecule(state->mol);
+  World &world = World::getInstance();
+  for (std::vector<const molecule *>::const_iterator iter = state->mols.begin();
+      iter != state->mols.end(); ++iter)
+    world.selectMolecule(*iter);
+
   return ActionState::ptr(_state);
 }
@@ -82 +97 @@
   SelectionNotMoleculeByOrderState *state = assert_cast<SelectionNotMoleculeByOrderState*>(_state.get());
 
-  World::getInstance().unselectMolecule(state->mol);
+  World &world = World::getInstance();
+  for (std::vector<const molecule *>::const_iterator iter = state->mols.begin();
+      iter != state->mols.end(); ++iter)
+    world.unselectMolecule(*iter);
+
   return ActionState::ptr(_state);
 }