Changeset d2be22 for src/Graph/BondGraph.hpp

Timestamp:

Dec 19, 2025, 11:29:38 PM (9 days 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/Graph/BondGraph.hpp (modified) (1 diff)

src/Graph/BondGraph.hpp

@@ -70 +70 @@
    */
   bool LoadBondLengthTable(std::istream &input);
+
+  /** States whether the bond table has been loaded.
+   * \return true - the internal matrix container is allocated, false - no bond table structure allocated
+   */
+  bool IsBondLengthTableLoaded() const { return BondLengthMatrix != NULL; }
 
   /** Removes allocated bond length table.