2022_03_2 (Q1 2022) Release

Release_2022.03.2

(Changes relative to Release_2022.03.1)

Acknowledgements

David Cosgrove, Aleš Erjavec, Mosè Giordano, Sreya Gogineni, Ricardo
Rodriguez-Schmidt, David W.H. Swenson, Paolo Tosco, Rachel Walker, 'GLPG-GT'

Bug Fixes:

• Image Generation: Highlighting looks off when bondLineWidth is increased for PNG generation
  (github #5122 from rachelnwalker)
• RDKit crashes on CIP label calculation
  (github #5142 from ricrogz)
• Modified the JS tests to comply with older nodejs versions
  (github #5148 from ptosco)
• Presence of exocyclic S/D, S/A or D/A query bonds prevents benzene from being recognized as aromatic
  (github #5152 from rachelnwalker)
• Very small fix to avoid an AttributeError
  (github #5163 from ptosco)
• issue with V3000 SD files containing enhanced stereochemistry information
  (github #5165 from GLPG-GT)
• Draw.MolToQPixmap raises a TypeError with Python 3.10
  (github #5166 from ales-erjavec)
• Multiple calls to BlockLogs() permanently disable logging
  (github #5172 from ricrogz)
• Check architecture of the target system to optimise popcnt
  (github #5182 from giordano)
• More consistently check for WIN32 instead of MSVC in CMake files
  (github #5183 from giordano)
• Atom indices inside double bond
  (github #5185 from DavidACosgrove)
• Bug in IPython display after setting a molecule property
  (github #5192 from dwhswenson)
• Zero & coordinate bonds are being taken into account for chirality
  (github #5196 from ricrogz)
• FindPotentialStereo does not clean stereoflags from atoms which cannot be stereocenters
  (github #5200 from greglandrum)
• Fixes array overflow in FMCS code
  (github #5205 from ricrogz)
• PeriodicTable initialization is not thread safe
  (github #5207 from ricrogz)
• Fix use of not thread safe function localtime()
  (github #5211 from ricrogz)