Spicoli TK 1.3.0

New features

  • The internals of the Spicoli toolkit have been migrated from C to pure C++ to ensure better interoperability with C++, especially in terms of object lifetime and management.
  • A new function, OESplitSurfaceByAtoms, will divide an OESurface and cleanly partition the triangles along atom boundaries. The result is a surface that can be nicely divided and colored by its underlying atoms.
  • The OESurface class has a new method, GetProbeRadius, which returns the probe radius value used to create the surface.
  • The functions OEMakeCavitySurfaces and OEMakeVoidVolume now accept an optional probe radius parameter to be used for the surface construction. The default value of this parameter is 1.4 Angstroms.

Minor bug fixes

  • Generic data stored on an OESurface is now saved when the surface is written to .oeb or .oesrf files.