This patch generalizes the stereochemistry framework which is now focusing on IAtomParity.
- introducing IStereoElement, a super class indicating some form of molecular stereo chemistry
- IAtomParity extends IStereoElement
- IAtomContainer no longer has get/set of IAtomParity
- IAtomContainer now takes a list of IStereoElement's
- Added the helper method AtomContainerManipulator.getAtomParity(IAtomContainer, IAtom) to
ease transition
The idea is that later patches (on which I am working) will introduce subinterfaces, like:
ILigancyFourChirality: CLOCK_WISE, ANTI_CLOCK_WISE (used by e.g. SMILES),
ICisTransIsomerism: E, Z,
IAxialChirality, and
IHelicalChirality.
Looks good. Applied to master and pushed
Looks good. Applied to master and pushed