rdkit/rdkit: 2021_03_4 (Q1 2021) Release

Release_2021.03.4

(Changes relative to Release_2021.03.3)

Brian Kelley, Rasmus Lundsgaard, Dan Nealschneider, Ricardo Rodriguez-Schmidt, Matt Swain, Paolo Tosco, Kazuya Ujihara, Alain Vaucher, 'jungb-basf'

• EnumerateStereoisomers fail with STEREOANY bonds from molblock (github #3759 from TermeHansen)
• MolFragmentToSmiles with kekuleSmiles=True raises AtomKekulizeException (github #3998 from kazuyaujihara)
• bug in MDLParser.cpp when reading a rxn file in v3000 format that contains agents (github #4183 from jungb-basf)
• allow more recoverable V3000 parsing errors when strictParsing=false (github #4210 from greglandrum)
• Fix a couple of problems with fingerprint count simulation (github #4228 from greglandrum)
• Chem.MolFromSmiles using SmilesParserParams throws exceptions (github #4232 from greglandrum)
• double bonds now have EITHER stereo if no coordinates are present (github #4239 from greglandrum)
• Fix CMakeLists for FileParsers (github #4240 from kazuyaujihara)
• Multiple ATTCHPT entries for one atom handled incorrectly (github #4256 from greglandrum)
• Exception thrown by reionizer when dealing with Mg+2 (github #4260 from greglandrum)
• Fallback ring finding failing on molecules with multiple fragments (github #4266 from avaucher)
• FindPotentialStereo() doesn't find marked ring stereo when flagPossible=False (github #4279 from greglandrum)
• The normalization pattern for pyridine N-oxide is not specific enough (github #4281 from ptosco)
• Unreasonable calculation of implicit valence for atoms with query bonds (github #4311 from greglandrum)