source: tests/regression/Selection/Molecules/MoleculeByOrder/post/water_id1.xyz

Candidate_v1.6.1
Last change on this file 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: 116 bytes
Line 
13
2 Created by molecuilder for select-molecule-by-order test
3O 0 0 3.36143
4H 0.758602 0 3.86571
5H 0.758602 0 2.85714
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