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#338 Fix errors in CML loader with pseudo atoms

Open SunFellow opened this issue 3 years ago • 2 comments

  • 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.

SunFellow avatar Mar 24 '21 10:03 SunFellow

Dear @SunFellow, Could you please tell me the current state of this pull request? Are there any blockers?

mkviatkovskii avatar Jun 24 '21 09:06 mkviatkovskii

@SunFellow is it still actual?

MysterionRise avatar Apr 16 '22 09:04 MysterionRise