Riassigner

Latest version: v0.4.1

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0.3.0

Added
- __main__.py + cli/LoadDataAction.py: Added required passing of filetype and rt unit. [64](https://github.com/RECETOX/RIAssigner/issues/64) [#67](https://github.com/RECETOX/RIAssigner/issues/67) [#68](https://github.com/RECETOX/RIAssigner/pull/68)
Changed
- utils.py: `get_extension` function now returns extension without `.` [68](https://github.com/RECETOX/RIAssigner/pull/68)
- data/Data.py: Added `filetype` to constructor and made `rt_unit` non-optional. [67](https://github.com/RECETOX/RIAssigner/issues/67) [#68](https://github.com/RECETOX/RIAssigner/pull/68)
- data/MatchMSData.py: Added `filetype` to constructor and made `rt_unit` non-optional. [67](https://github.com/RECETOX/RIAssigner/issues/67) [#68](https://github.com/RECETOX/RIAssigner/pull/68)
- data/PandasData.py: Added `filetype` to constructor and made `rt_unit` non-optional. [67](https://github.com/RECETOX/RIAssigner/issues/67) [#68](https://github.com/RECETOX/RIAssigner/pull/68)

0.2.0

Added
- Added `__eq__` to `PandasData` and `MatchMSData` [51](https://github.com/RECETOX/RIAssigner/pull/51)
- Added `__eq__` to `ComputationMethod` class and subclasses [52](https://github.com/RECETOX/RIAssigner/pull/52)
- data/PandasData.py: Added reading `tsv` files. [49](https://github.com/RECETOX/RIAssigner/pull/49)
- Command line interface functionality [29](https://github.com/RECETOX/RIAssigner/pull/55)
- utils.py: `get_extension` function
- tests/fixtures/data.py: Added `load_test_file` function
Changed
- data/MatchMSData.py: `_assign_ri_value` now converts all values to float and stores them as string in metadata field
- data/MatchMSData.py `_read_retention_indices` now calls retention_indices property setter to store values
- tests/fixtures/data.py: Changed loading of test data
- compute/CubicSpline.py: `compute` now returns an array of floats [61](https://github.com/RECETOX/RIAssigner/pull/61)
- compute/Kovats.py: `compute` now returns a list of floats [61](https://github.com/RECETOX/RIAssigner/pull/61)

0.1.0

Added
- Reading data from `CSV` and `MSP` files [8](https://github.com/RECETOX/RIAssigner/pull/8)[#15](https://github.com/RECETOX/RIAssigner/pull/15)[#36](https://github.com/RECETOX/RIAssigner/pull/36)
- Computing Kovats retention index [25](https://github.com/RECETOX/RIAssigner/pull/25)
- Computing RI based on cubic splines [33](https://github.com/RECETOX/RIAssigner/pull/33)
- Added CI actions to GitHub [43](https://github.com/RECETOX/RIAssigner/pull/43)
- Added writing data back to memory for `MSP`, `CSV` and `tsv` files [7](https://github.com/RECETOX/RIAssigner/pull/7)[#14](https://github.com/RECETOX/RIAssigner/pull/14)[#19](https://github.com/RECETOX/RIAssigner/pull/19)

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