source: tests/regression/Selection/Molecules/InvertMolecules/post/mol0_present.xyz

stable v1.7.0
Last change on this file was ebc499, checked in by Frederik Heber <heber@…>, 14 years ago

Added InvertMoleculesAction and InvertAtomsAction.

  • World has two new functions invertAtomSelection() and ..MoleculeSelection().
  • these actions are needed to get some of the boolean operations working that are possible inside the code but not outside. Concatenated selections are on the command-line always combined as OR and never as AND, via an invertion operation, we may combine these into an effective AND combination.
  • also added regression tests Selection/Atoms/InvertAtoms and Selection/ Molecules/InvertMolecules.
  • Property mode set to 100644
File size: 103 bytes
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2 Created by molecuilder for invert-molecules test
3O 0 0 0.504284
4H 0.758602 0 1.00857
5H 0.758602 0 0
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