Commit 0165239
authored
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` branch1 parent ba8996e commit 0165239
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4 files changed
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- parsnip
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