rdkit/rdkit — pull request #108 by ptosco (2013-09-28 17:03:12+00:00)
Title: Rationalization of the MMFF API before it's too late

- Replaced the setupMMFFForceField() function (which returned a pointer
to a newly allocated MMFFMolProperties object) with a simple
constructor of the MMFFMolProperties object
- Replaced in a few MMFF-related functions the "ROMol *" argument
with a "ROMol &" argument for consistency with similar RDKit
functions
- Renamed the SetupMMFFForceField() function in Python into
GetMMFFMolProperties() for consistency
- Updated the MMFF tests according to the aforementioned changes
in the API