Release Update 1.5.0 · molshape/ChemFormula

What's Changed

Refactor code base and add support for hydrogen isotopes -> v1.5.0 by @molshape in #21

Full Changelog: v1.4.1...v1.5.0

This release adds hydrogen isotope support and brings significant improvements to code quality, documentation, and Python compatibility.

New Features and Functionality

Adds support for hydrogen isotopes (deuterium "D" and tritium "T") via a global AllowHydrogenIsotopes flag in chemformula.config, with corresponding documentation and usage examples (README.md, examples/example5.py, src/chemformula/chemformula.py) [1] [2] [3] [4].
This new feature closes the feature requests #14 and #20.
Introduces .contains_isotopes attribute to the ChemFormula class for detecting specific isotopes in formulas, and updates documentation and examples accordingly (README.md, examples/example5.py, src/chemformula/chemformula.py) [1] [2].

Code Quality and Type Safety

Adds type stub files chemformula.pyi, elements.pyi, and config.pyi that provide explicit type signatures for all public methods and properties of the ChemFormula class, enhancing static type checking and editor support.
Updates development dependencies to include mypy and pins minimum versions for all dev tools; test coverage options are now set in pyproject.toml [1] [2].

Documentation and Example Enhancements

Improved README.md: clarified installation instructions, added isotope usage section, fixed typos, updated attribute names (e.g., .radioactive → .is_radioactive), and improved output examples for consistency (README.md, examples/example1.py, examples/example2.py, examples/example_general.py) [1] [2] [3] [4] [5] [6] [7] [8].
Added docstrings to all attributes and methods for better documentation.