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water.xyz@ 982e6d

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ForceAnnealing_with_BondGraph_continued_betteresults

Last change on this file since 982e6d was df9f20, checked in by Frederik Heber <heber@…>, 12 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: 155 bytes

Line
1	3
2	# test configuration, created by molecuilder test suite
3	O 0. 0. 0.
4	H 0.758602 0. 0.504284
5	H 0.758602 0. -0.504284

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source: tests/regression/Filling/FillSurface/pre/water.xyz@ 982e6d

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