Changeset d2be22 for src/Actions/AtomAction/BondifyAction.cpp

Timestamp:

Dec 19, 2025, 11:29:38 PM (7 weeks ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.1, stable

Children:

25aa214

Parents:

29ba9a

git-author:

Frederik Heber <frederik.heber@…> (11/16/25 11:12:52)

git-committer:

Frederik Heber <frederik.heber@…> (12/19/25 23:29:38)

Message:

Actions relying on BondGraph fail if not bond table is loaded.

• this is to ensure to not stumble over missing optimal bond lengths from the table, like with StretchBondAction.
• TESTFIX: All regression tests that use these actions need to load the bond-table now.

File:

• src/Actions/AtomAction/BondifyAction.cpp (modified) (1 diff)

src/Actions/AtomAction/BondifyAction.cpp

@@ -214 +214 @@
   // ensure we have one selected atom
   World &world = World::getInstance();
-  const BondGraph &BG = *world.getBondGraph();
+  const BondGraph &BG = *world.getBondGraph();  
 
   // check precondition
+  if (!BG.IsBondLengthTableLoaded()) {
+    STATUS("BondLength table has not been loaded.");
+    return Action::failure;
+  }
   const std::vector<atom *> atoms = world.getSelectedAtoms();
   if (atoms.size() != 1) {