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water_undo.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

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.

File size: 138 bytes

Line
1	3
2	Created by molecuilder on Fri Sep 5 19:29:26 2014, time step 0
3	O 0.0848927 0 0.0848927
4	H 0.589177 0 -0.673709
5	H -0.419391 0 -0.673709

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