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Release 0.3.0 (#47)
## Description ### Added - Additional testpath flag in conftest - Symbolic parsing mode for ``build_unit_cell`` ### Changed - ``build_unit_cell`` has a symbolic computation mode that allows for more accurate construction of unit cells. ### Fixed - Accessing data pairs with ``get_from_pairs`` or ``__getitem__`` now allows for case-insensitive searches - Quote-delimited strings containing the delimiting character are now parsed properly - ``build_unit_cell`` now rounds coordinates before wrapping into the box, fixing edge cases where boundary atoms were not properly deduplicated ## Types of Changes <!-- Please select all items that apply, either now or after creating the pull request: --> - [ ] Documentation update - [x] Bug fix - [x] New feature - [ ] Breaking change<sup>1</sup> <sup>1</sup>The change breaks (or has the potential to break) existing functionality and should be merged into the `breaking` branch
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changelog.rst

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The format is based on `Keep a Changelog <http://keepachangelog.com/en/1.1.0/>`__.
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This project adheres to `Semantic Versioning <http://semver.org/spec/v2.0.0.html>`__.
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v0.X.X - 20XX-XX-XX
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v0.3.0 - 2025-07-16
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-------------------
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Added
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~~~~~
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- Additional testpath flag to conftest
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- Additional testpath flag in conftest
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- Symbolic parsing mode for ``build_unit_cell``
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Changed
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~~~~~~~
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- ``build_unit_cell`` now uses sympy by default if it is intalled - otherwise, it falls
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back to the previous variant
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- ``build_unit_cell`` has a symbolic computation mode that allows for more accurate
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construction of unit cells.
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Fixed
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~~~~~

doc/source/conf.py

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project = "parsnip"
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copyright = f"2024-{CURRENT_YEAR} The Regents of the University of Michigan"
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author = "Jen Bradley"
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release = "0.2.1"
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release = "0.3.0"
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# -- General configuration ---------------------------------------------------
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# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

parsnip/__init__.py

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from .parsnip import CifFile
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__version__ = "0.2.1"
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__version__ = "0.3.0"

pyproject.toml

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[project]
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name = "parsnip-cif"
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version = "0.2.1"
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version = "0.3.0"
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requires-python = ">=3.7"
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description = "Minimal library for parsing CIF & mmCIF files in Python."
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readme = "README.rst"

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