source: tests/regression/Selection/Molecules/MoleculeByOrder/pre/twowater.xyz@ 038ccd

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
Last change on this file since 038ccd was 170ba6, checked in by Frederik Heber <heber@…>, 14 years ago

BUGFIX: MoleculeOrderDescription was not working in reverse because of bug in ObservedContainer.

  • we now require v1.0.9 of Codepatterns where bug in ObservedContainer is fixed.
  • TEST: added regression test Selection/Molecules/MoleculeByOrder with separate forward and backward test.
  • TEST: split up Selection/testsuite file into one on atoms, the other on molecules.
  • Property mode set to 100644
File size: 167 bytes
Line 
16
2 Created by molecuilder for select-molecule-by-order test
3O 0 0 0.504284
4H 0.758602 0 1.00857
5H 0.758602 0 0
6O 0 0 3.36143
7H 0.758602 0 3.86571
8H 0.758602 0 2.85714
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