AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since 038ccd was 7811bf, checked in by Frederik Heber <heber@…>, 14 years ago |
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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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Property mode
set to
100644
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File size:
270 bytes
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| 1 | 8
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| 2 | Created by molecuilder on Tue Oct 6 19:01:29 2009
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| 3 | C 8.53279 4.15859 3.53589
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| 4 | C 7.28359 3.27519 3.53589
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| 5 | H 8.53279 4.78789 2.64589
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| 6 | H 8.53279 4.78789 4.42589
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| 7 | H 9.42276 3.52927 3.53589
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| 8 | H 6.39363 3.90454 3.53589
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| 9 | H 7.28359 2.64589 2.64589
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| 10 | H 7.28359 2.64589 4.42589
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