Changeset 9a1e099 for tests/regression/Fragmentation

Timestamp:

Jul 12, 2017, 7:12:47 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, Fix_Verbose_Codepatterns, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

d86d97

Parents:

3c9ac3

git-author:

Frederik Heber <frederik.heber@…> (07/12/17 16:02:03)

git-committer:

Frederik Heber <frederik.heber@…> (07/12/17 19:12:47)

Message:

Added regression test on DiffFragmentResultContainer.

Location:

tests/regression/Fragmentation

Files:

• DiffFragmentResultContainer/pre/alkane_results.dat (added)
• DiffFragmentResultContainer/pre/water_results.dat (added)
• DiffFragmentResultContainer/testsuite-fragmentation-difffragmenresultcontainer.at (added)
• testsuite-fragmentation.at (modified) (1 diff)

tests/regression/Fragmentation/testsuite-fragmentation.at

@@ -31 +31 @@
 m4_include([Fragmentation/StoreSaturatedFragment/testsuite-fragmentation-store-saturated-fragment.at])
 
+# check whether helper program works
+m4_include([Fragmentation/DiffFragmentResultContainer/testsuite-fragmentation-difffragmenresultcontainer.at])
+
 # check automation
 m4_include([Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at])