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CHANGELOG.md

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0.1.0 (2023-02-24)

Feat

  • Added Newman projection
  • Added Wedgedash projection
  • Added Fischer projection

Refactor

  • Added badges
  • Add type hints to logger_utils
  • Modify fischer example notebook to use an iupac recognized single chiral center molecule
  • Modified the example notebook for Newman Projection
  • Minor change to newman example notebook
  • Cleaned up .gitignore
  • Minor edit to location of output_images directory path
  • Minor changes to example newman notebook
  • Added functionality in logging utils to look for env var : LOG_LEVEL and set the log level accordingly
  • Added an example notebook for newman projection
  • Added type hints and dataclasses
  • Changes to gitignore
  • Added type hints to logger and smiles manipulation utils
  • Type hinting to the rduitls functions
  • Small changes in fischer example notebook
  • Modified the example fischer notebook
  • Added the drawing class
  • Added a verbosity flag to control the logged output
  • Added dataclasses to make function arguments cleaner
  • Modified .gitignore
  • Added an example notebook for fischer projection and removed the example script
  • refactored default arguments, canvas_width and canvas_height are now optional
  • minor refactor
  • refactoring type hints
  • added some missing type hints
  • Added function annotations
  • edited .gitignore
  • Added utils
  • added example for fischer projection
  • added init.py to pychemprojections dir