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Solution: more get_xxx -> property work
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rkingsbury committed Jul 26, 2023
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10 changes: 6 additions & 4 deletions CHANGELOG.md
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## 0.6.0 (in progress)

- `Solution`: new properties `pressure`, `temperature`, `pE`, `pH`, `mass`, `density`,
`viscosity_dynamic`, `viscosity_kinematic`
- **DEPRECATION NOTICE** `Solution`: new properties `pressure`, `temperature`, `pE`,
- `pH`, `mass`, `density`, `viscosity_dynamic`, `viscosity_kinematic`, `ionic_strength`,
- `conductivity`, `debye_length`, `bjerrum_length`, `alkalinity`, `hardness`,
- `dielectric_constant`, `charge_balance` have replaced the corresponding get_XXX and
set_XXX (for temperature and pressure) methods, which will be removed in a future
release. `get_viscosity_relative` will be removed entirely.
- `Solution`: add support for passing solutes as a `dict`
- Implement extensible system for connecting `Solution` to various activity and speciation
models. Models can be integrated into pyEQL by implementing an `EOS` class. The desired
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parameters are not available) or `ideal` for a dummy engine that returns unit activity
coefficients. Support for additional external engines such as [`phreeqpython`](https://github.com/Vitens/phreeqpython) is planned.
- **BREAKING CHANGE** disable 'verbose' kwarg in `get_activity` and `get_activity_coefficient`
- **DEPRECATION NOTICE** - `get_temperature()`, `set_temperature()`, `get_pressure`, `set_pressure()`,
`get_mass()`, `get_viscosity_dynamic`, `get_viscosity_kinematic`, and `get_density` will be removed in the next release. Use direct access via property (e.g. `Solution.pressure`) instead. `get_viscosity_relative` will be removed entirely.
- Add more comprehensive platform testing via `tox`
- Replace `water_properties.py` with [iapws](https://github.com/jjgomera/iapws) package
- Replace elements.py with `pymatgen.core.periodic_table`
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