Changeset d2be22 for src/Actions/MoleculeAction/StretchBondAction.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/MoleculeAction/StretchBondAction.cpp (modified) (2 diffs)

src/Actions/MoleculeAction/StretchBondAction.cpp

@@ -47 +47 @@
 #include "Bond/bond.hpp"
 #include "Bond/StretchBond.hpp"
+#include "Graph/BondGraph.hpp"
 #include "Graph/BoostGraphHelpers.hpp"
 #include "World.hpp"
@@ -60 +61 @@
 ActionState::ptr MoleculeStretchBondAction::performCall()
 {
+  BondGraph *BG = World::getInstance().getBondGraph();
+  if (!BG->IsBondLengthTableLoaded()) {
+    STATUS("BondLength table has not been loaded.");
+    return Action::failure;
+  }
+
   const std::vector< atom *> atoms = World::getInstance().getSelectedAtoms();
   StretchBondUtil stretcher(atoms);