Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

#1040 SMILES/SMARTS import: Files with S-Group cause an error #1201

Merged
merged 7 commits into from
Jul 31, 2023
Merged

#1040 SMILES/SMARTS import: Files with S-Group cause an error #1201

merged 7 commits into from
Jul 31, 2023

Commits on Jul 26, 2023

  1. #1040 SMILES/SMARTS import: Files with S-Group cause an error

      Implemented import support for Data S-Groups.
      Implemented import support for all fields for Polymer S-Groups.
      Implemented corresponding UTs into indigo-core-unit-tests.
    AliaksandrDziarkach committed Jul 26, 2023
    Configuration menu
    Copy the full SHA
    aa872f8 View commit details
    Browse the repository at this point in the history
  2. #1040 SMILES/SMARTS import: Files with S-Group cause an error

     Implemented export support for Data S-Groups.
     Implemented export support for all fields for Polymer S-Groups.
     Implemented corresponding UTs into indigo-core-unit-tests.
    AliaksandrDziarkach committed Jul 26, 2023
    Configuration menu
    Copy the full SHA
    88cc938 View commit details
    Browse the repository at this point in the history
  3. Configuration menu
    Copy the full SHA
    3dadef0 View commit details
    Browse the repository at this point in the history
  4. Configuration menu
    Copy the full SHA
    ed68f80 View commit details
    Browse the repository at this point in the history
  5. #1040 SMILES/SMARTS import: Files with S-Group cause an error

     Fix integration UTs
     Small fixes in smiles_loader.cpp
     Implemented corresponding UTs into indigo-core-unit-tests.
    AliaksandrDziarkach committed Jul 26, 2023
    Configuration menu
    Copy the full SHA
    3b8da5f View commit details
    Browse the repository at this point in the history
  6. Fix UT name

     fix UT for issue 1200 UT.
    AliaksandrDziarkach committed Jul 26, 2023
    Configuration menu
    Copy the full SHA
    77a6c11 View commit details
    Browse the repository at this point in the history

Commits on Jul 27, 2023

  1. #1040 use constants instead of literals

     Added constants instead of literal in smiles_loader.cpp
    AliaksandrDziarkach committed Jul 27, 2023
    Configuration menu
    Copy the full SHA
    af60cfa View commit details
    Browse the repository at this point in the history