Shape TK 1.8.3

New features

• OEColorForceField::GetTypes method added to return an iterator of the integer color forcefield types.

Minor bug fixes

• OEAddColorAtoms was setting an internal flag incorrectly such that OEHasColorAtoms would return true even if no color atoms were added. This has been fixed.

• OEAddColorAtom corrected to also set internal flags regarding presence of color atoms.

• OEBOOrientation::InertialAtHeavyAtoms will now use the center-of-mass as a startpoint in addition to all heavy atoms. The constant is an option for OEBestOverlay::SetInitialOrientation.

• OEBOOrientation::UserInertialStarts will now work with the reference being a grid.