Changeset d2be22 for tests/regression/Graph/DepthFirstSearch

Timestamp:

Dec 19, 2025, 11:29:38 PM (6 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:

• tests/regression/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at (modified) (1 diff)

tests/regression/Graph/DepthFirstSearch/testsuite-graph-depth-first-search.at

@@ -24 +24 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/DepthFirstSearch/pre/test.conf $file], 0)
 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --create-adjacency -D 2.], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --create-adjacency -D 2.], 0, [stdout], [stderr])
 AT_CHECK([fgrep -c "No rings were detected in the molecular structure." stdout], 0, [stdout], [ignore])