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Chemistry-OpenSMILES-0.11.5
River stage zero No dependents

Changes for version 0.11.5 - 2025-02-13

  • Fixing a bug failing to recognise @TB10.
  • Forbidding unknown chemical elements.
  • Forbidding ring bonds to self.
  • Accepting order subroutine in kekulise() in order to make the algorithm stable.
  • Supporting octahedral chirality in chirality_to_pseudograph().
  • Introducing Chemistry::OpenSMILES::is_aromatic_bond().
  • Reporting aromatic bonds outside aromatic rings in _validate().

Modules

Chemistry::OpenSMILES
OpenSMILES format reader and writer
Chemistry::OpenSMILES::Aromaticity
Aromaticity handling routines

Provides

Chemistry::OpenSMILES::Stereo
in lib/Chemistry/OpenSMILES/Stereo.pm
Chemistry::OpenSMILES::Stereo::Tables
in lib/Chemistry/OpenSMILES/Stereo/Tables.pm
Chemistry::OpenSMILES::Writer
in lib/Chemistry/OpenSMILES/Writer.pm

Other files