source: tests/regression/Fragmentation/FragmentMolecule/post/BondFragment1.xyz

Candidate_v1.6.1
Last change on this file 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.
  • Property mode set to 100644
File size: 189 bytes
Line 
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2 Created by molecuilder on Tue Oct 6 19:01:29 2009
3C 8.53279 4.15859 3.53589
4H 7.64283 3.52924 3.53589
5H 8.53279 4.78789 2.64589
6H 8.53279 4.78789 4.42589
7H 9.42276 3.52927 3.53589
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