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Candidate_v1.6.1

Last change on this file since a844d8 was b9bfa6, checked in by Frederik Heber <heber@…>, 14 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

Property mode set to 100644

File size: 11.5 KB

Rev	Line
[512f85]	1	505
	2	Created by molecuilder on
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	482	H 17.9015 14.2857 2.85714
	483	H 17.9015 14.2857 15.2943
	484	O 17.1429 14.2857 17.6471
	485	H 17.9015 14.2857 18.1514
	486	H 17.9015 14.2857 17.1429
	487	O 17.1429 17.1429 0.504284
	488	H 17.9015 17.1429 1.00857
	489	H 17.9015 17.1429 0
	490	O 17.1429 17.1429 3.36143
	491	H 17.9015 17.1429 3.86571
	492	H 17.9015 17.1429 2.85714
	493	O 17.1429 17.1429 6.21857
	494	H 17.9015 17.1429 6.72285
	495	H 17.9015 17.1429 5.71429
	496	O 17.1429 17.1429 9.07571
	497	H 17.9015 17.1429 9.58
	498	H 17.9015 17.1429 8.57143
	499	O 17.1429 17.1429 11.9329
	500	H 17.9015 17.1429 12.4371
	501	H 17.9015 17.1429 11.4286
	502	O 17.1429 17.1429 14.79
	503	H 17.9015 17.1429 15.2943
	504	H 17.9015 17.1429 14.2857
	505	O 17.1429 17.1429 17.6471
	506	H 17.9015 17.1429 18.1514
	507	H 17.9015 17.1429 17.1429

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source: tests/regression/Selection/Atoms/AtomsInsideSphere/post/inversesphere.xyz@ a844d8

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