Changeset 6e5ca9 for src

Timestamp:

Aug 31, 2016, 8:11:52 AM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

FragmentMolecule_checks_bonddegrees, Gui_Fixes

Children:

56c55f3

Parents:

72ea92b

git-author:

Frederik Heber <heber@…> (08/31/16 08:11:49)

git-committer:

Frederik Heber <heber@…> (08/31/16 08:11:52)

Message:

FragmentMolecule requires correct bond degrees.

• globalsaturationpositions requires charge neutrality condition. Hence, the action will fail if this condition is not met.
• therefore, if correction of bond degrees does not work, we cancel the action.

File:

• src/Actions/FragmentationAction/FragmentationAction.cpp (modified) (1 diff)

src/Actions/FragmentationAction/FragmentationAction.cpp

@@ -136 +136 @@
     else
       LOG(1, "INFO: Bond degrees all valid, not correcting.");
+    if (!BG->checkBondDegree(Set)) {
+      ELOG(1, "Bond graph is invalid with respect to charge neutrality condition, aborting.");
+      return Action::failure;
+    }
   }