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water_cube.xyz@ 91c409

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Candidate_v1.7.0 stable

Last change on this file since 91c409 was df9f20, checked in by Frederik Heber <heber@…>, 11 years ago

Refactored FillSurfaceAction to also use FillerPreparators.

added ShapeSurfaceFillerPreparator for preparing the filler.
added new SurfaceRandomInserter for randomly translating filled-in molecule on shape's surface (no rotational randomness as RandomInserter cannot be forced to the alignment axis).
TESTFIX: renamed Filling regression folder SphericalSurface -> FillSurface.
TESTS: added FillSurface filling regression tests for every present shape, we let everywhere and nowhere fail hard in performCall(), as this works also with disable-debug.

Property mode set to 100644

File size: 1.8 KB

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2	Created by molecuilder on Fri Sep 5 19:26:52 2014, time step 0
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11	H 9.60228 14.8934 10.2911
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15	O 10.5364 12.5 14.4636
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25	H 10.2521 9.74786 12.1434
26	H 9.74786 10.2521 12.8566
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51	O 14.562 10.438 14.562
52	H 15.1066 10.3977 15.2911
53	H 14.8934 9.60228 14.7089
54	O 14.562 14.562 14.562
55	H 15.1066 14.6023 15.2911
56	H 14.8934 15.3977 14.7089
57	O 14.562 14.562 10.438
58	H 15.3977 14.8934 10.2911
59	H 14.6023 15.1066 9.70885
60	O 14.562 10.438 10.438
61	H 15.3977 10.1066 10.2911
62	H 14.6023 9.89343 9.70885
63	O 14.4636 12.5 14.4636
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65	H 15.3566 12.5 14.6434
66	O 14.4636 14.4636 12.5
67	H 15.2521 14.7479 12.8566
68	H 14.7479 15.2521 12.1434
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71	H 14.6434 12.5 9.64342
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77	H 10 12.5 13.0043
78	O 14.2414 12.5 12.5
79	H 15 12.5 13.0043
80	H 15 12.5 11.9957

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source: tests/regression/Filling/FillSurface/post/water_cube.xyz@ 91c409

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