Changeset bef5b3 for tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at

Timestamp:

Aug 2, 2017, 9:42:40 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued

Children:

93fd2a6

Parents:

5f18f1

git-author:

Frederik Heber <frederik.heber@…> (08/02/17 21:42:27)

git-committer:

Frederik Heber <frederik.heber@…> (08/02/17 21:42:40)

Message:

tempcommit: TESTFIX: Modifying regression tests ForceAnnealing to current implementation state.

• step width has changed?

File:

• tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at (modified) (1 diff)

tests/regression/Molecules/ForceAnnealing/testsuite-molecules-force-annealing.at

@@ -25 +25 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/ForceAnnealing/pre/test.forces .], 0)
 AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../molecuilder -i $file --select-all-atoms --force-annealing --forces-file test.forces --steps 1], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder -i $file -I --select-all-atoms --force-annealing --forces-file test.forces --steps 1], 0, [stdout], [stderr])
 AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/ForceAnnealing/post/test.conf], 0, [ignore], [ignore])