Indigo
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#338 Fix errors in CML loader with pseudo atoms
- Loading CML format: throw an exception on pseudo atom, if not query. This forces the caller to retry loading as QueryMolecule.
- Set Pseudo Atom property also for Carbon, which
elementType
was kept "C" at previous steps for pseudo atoms: AH, QH, XH, MH, X, M. - Python test that repeats the essential logic of indigo-service /v2/convert.
- C++ test for debugging.
Dear @SunFellow, Could you please tell me the current state of this pull request? Are there any blockers?
@SunFellow is it still actual?