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test-rotated-xYz20.xyz@ 216840

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AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision

Last change on this file since 216840 was 967b3c, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Molecules.

all numbered test cases now have meaningful names.
renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
renamed token of LinearInterpolationofTrajectoriesAction: linear-interpolate -> linear-interpolation-of-trajectories.
renamed token of RotateAroundSelfByAngleAction: rotate-self -> rotate-around-self.
renamed token of RotateToPrincipalAxisSystemAction: rotate-to-pas -> rotate-to-principal-axis-system.
renamed token of VerletIntegrationAction: verlet-integrate -> verlet-integration.
re-added test for periodic translation (was Molecules/7 but unused).
TESTFIX: Analysis/AngularDipoleCorrelation-DiscreteAngles due to renaming of rotate-around-self.

Property mode set to 100644

File size: 339 bytes

Line
1	11
2	Created by molecuilder on Fri Aug 6 15:40:35 2010
3	H 9.8135 2.37271 3.16085
4	H 9.33431 2.65703 4.85139
5	H 10.6201 3.64185 4.11314
6	H 8.96913 4.62097 2.54339
7	H 8.48994 4.90529 4.23393
8	H 6.55678 4.15323 2.87536
9	H 7.44056 2.67134 2.43801
10	H 6.96137 2.95567 4.12855
11	C 9.67442 3.13152 3.9309
12	C 8.62901 4.14648 3.46388
13	C 7.30149 3.43016 3.20806

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source: tests/regression/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz@ 216840

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