AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
Last change
on this file since 866dec was 7811bf, checked in by Frederik Heber <heber@…>, 14 years ago |
Changed regression testsuite structure of Fragmentation.
- all numbered test cases now have meaningful names.
- renamed token of FragmentMoleculeAction: fragment-mol -> fragment-molecule.
- removed test case 1 where test.conf is checked, this is made sure elswhere.
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3 | -1 5 6 7 10
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4 | 0 1 2 -1 3 4 8 9
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5 | 3 4 -1 5 6 7 9 10
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