Lexichem TK 2.5.0

New features

  • Support for text markup (italics, superscripts, subscripts, special characters) has been improved and unified.

    • OECreateIUPACName function now generates names with the appropriate new text markup tokens (inspired by LaTeX):

      • Italics as: ~{}

      • Subscript as: _{}

      • Superscript as: ^{}

    • OEToHTML and OEToUTF8 functions now properly handle the new markup tokens. OEToUTF8 function has a new optional Boolean parameter that controls markup annotations. Set the new parameter to false in order to get the old behavior.

    • OEFromHTML function has been created to properly convert the markup to HTML tags.

Bug fixes

  • The handling of molecules with relative stereochemistry has been improved. Relative stereochemistry is a feature of the V3000 file format encapsulated in the OEChem TK. See the OEGroupBase class.

  • Name generation for molecules with stereochemistry is better due to improvements to the Cahn-Ingold-Prelog stereochemistry perception in OEChem TK.