#938 SDFWriter does not accept IAtomContainerSet, which IRingSet

[Peter Maas]

When running the code below the following error is thrown:
"Only supported is writing of ChemFile, MoleculeSet, AtomContainer and Molecule objects."

mwrings = new MDLWriter(new FileWriter(this.outputDir + File.separatorChar + "allRingSystems.sdf"));
List <IRingSet> rings = gf.getRingFragments();
for (int i =0;i<rings.size();i++){
IAtomContainer ringw = RingPartitioner.convertToAtomContainer(rings.get(i));
mwrings.write(ringw);
}

[Egon Willighagen]

Two patches attached. One adding a general unit test that tests that accepted IChemObjects indeed can be written by write(). The second patch fixes the SDFWriter to also allow writing IAtomContainer and IAtomContainerSet as accepts() actually promises.

[Egon Willighagen]

Unit test for accepts()/write() consistency. To be applied to cdk-1.2.x with 'git am'.

[Egon Willighagen]

Patch fixing the accepts()/write() inconsistency.

[Egon Willighagen]

One senior reviewer needed.

[Rajarshi Guha]

Applied to cdk-1.2.x on github