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water_cube.xyz

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Candidate_v1.6.1

Last change on this file was df9f20, checked in by Frederik Heber <heber@…>, 10 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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63	O 14.4636 12.5 14.4636
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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

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