Spicoli TK 1.1.0

New Features

• Added the OEMakeBitGridFromSurface function. This is a lot faster than using OEMakeGridFromSurface to generate a lookup grid for whether a point is inside or outside a surface.

• Added OESetSurface and OEGetSurface to the Java wrappers.

See also

Attached to Molecules

Bug fixes

• The previous release (1.0.2) introduced the feature that didn’t require the user to call OEInitSurfaceHandlers. This didn’t work sometimes when statically linking an executable. This was because the library initialization code that needed to get run was getting discarded by the linker because none of the functions in that translation unit were being called. The library initialization code has been migrated to the same translation unit as the OESurface since these functions always have to be called to attach a molecule as generic data.

  Note

  This only affected C++ users.