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benzene.xyz@ 91c409

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Candidate_v1.7.0 stable

Last change on this file since 91c409 was b9bfa6, checked in by Frederik Heber <heber@…>, 15 years ago

Changed regression testsuite structure of Selection/Atoms and ../Molecules.

all numbered test cases now have meaningful names.
(Un)Selection/Molecule action renames: by-formula and by-name have plural molecules (they can select multiple ones), by-id is singular.
renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
TESTFIX: Analysis/AngularDipoleCorrelation-Empty due to renaming of molecule_s_-by-formula
TESTFIX: Analysis/SurfaceCorrelation due to renaming of molecule_s_-by_formula

File size: 249 bytes

Rev	Line
[c77ac8]	1	12
	2	Created by molecuilder for select-molecule-by-formula test
	3	C 10 11.396 0
	4	C 11.209 10.698 0
	5	C 11.209 9.302 0
	6	C 10 8.604 0
	7	C 8.791 9.302 0
	8	C 8.791 10.698 0
	9	H 10 12.479 0
	10	H 12.147 11.24 0
	11	H 12.147 8.76 0
	12	H 10 7.521 0
	13	H 7.853 8.76 0
	14	H 7.853 11.24 0

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