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Version 0.4.0

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@SLx64 SLx64 released this 19 Feb 09:29
· 37 commits to main since this release
0.4.0
843be94
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Learn about vigilant mode.

Major Features

  • Fundamental redesign of ID handling and assignment. #19
  • It is now possible to change the number of entities after initialization and output generation.
  • IDs that were not explicitly stated are now recalculated on the fly when the actual file is written.

Fixed

  • SMILigand now handles initialization correctly if a single string value is passed as a list of strings.
  • Refactored and added some new unit tests.

Documentation

  • Updated the examples in the README.md.
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