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* pre-commit: Upgrade psf/black for stable style 2023 Updating https://github.com/psf/black ... updating 22.12.0 -> 23.1.0 for their `2023 stable style`. * https://github.com/psf/black/blob/main/CHANGES.md#2310 > This is the first [psf/black] release of 2023, and following our stability policy, it comes with a number of improvements to our stable style… Also, add https://github.com/tox-dev/pyproject-fmt and https://github.com/abravalheri/validate-pyproject to pre-commit. I only modified `.pre-commit-config.yaml` and all other files were modified by pre-commit.ci and psf/black. * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
92 lines
2.6 KiB
Python
92 lines
2.6 KiB
Python
"""
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Functions useful for doing molecular chemistry:
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* molarity_to_normality
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* moles_to_pressure
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* moles_to_volume
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* pressure_and_volume_to_temperature
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"""
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def molarity_to_normality(nfactor: int, moles: float, volume: float) -> float:
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"""
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Convert molarity to normality.
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Volume is taken in litres.
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Wikipedia reference: https://en.wikipedia.org/wiki/Equivalent_concentration
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Wikipedia reference: https://en.wikipedia.org/wiki/Molar_concentration
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>>> molarity_to_normality(2, 3.1, 0.31)
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20
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>>> molarity_to_normality(4, 11.4, 5.7)
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8
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"""
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return round(float(moles / volume) * nfactor)
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def moles_to_pressure(volume: float, moles: float, temperature: float) -> float:
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"""
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Convert moles to pressure.
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Ideal gas laws are used.
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Temperature is taken in kelvin.
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Volume is taken in litres.
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Pressure has atm as SI unit.
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Wikipedia reference: https://en.wikipedia.org/wiki/Gas_laws
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Wikipedia reference: https://en.wikipedia.org/wiki/Pressure
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Wikipedia reference: https://en.wikipedia.org/wiki/Temperature
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>>> moles_to_pressure(0.82, 3, 300)
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90
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>>> moles_to_pressure(8.2, 5, 200)
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10
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"""
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return round(float((moles * 0.0821 * temperature) / (volume)))
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def moles_to_volume(pressure: float, moles: float, temperature: float) -> float:
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"""
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Convert moles to volume.
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Ideal gas laws are used.
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Temperature is taken in kelvin.
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Volume is taken in litres.
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Pressure has atm as SI unit.
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Wikipedia reference: https://en.wikipedia.org/wiki/Gas_laws
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Wikipedia reference: https://en.wikipedia.org/wiki/Pressure
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Wikipedia reference: https://en.wikipedia.org/wiki/Temperature
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>>> moles_to_volume(0.82, 3, 300)
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90
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>>> moles_to_volume(8.2, 5, 200)
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10
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"""
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return round(float((moles * 0.0821 * temperature) / (pressure)))
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def pressure_and_volume_to_temperature(
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pressure: float, moles: float, volume: float
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) -> float:
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"""
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Convert pressure and volume to temperature.
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Ideal gas laws are used.
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Temperature is taken in kelvin.
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Volume is taken in litres.
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Pressure has atm as SI unit.
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Wikipedia reference: https://en.wikipedia.org/wiki/Gas_laws
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Wikipedia reference: https://en.wikipedia.org/wiki/Pressure
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Wikipedia reference: https://en.wikipedia.org/wiki/Temperature
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>>> pressure_and_volume_to_temperature(0.82, 1, 2)
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20
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>>> pressure_and_volume_to_temperature(8.2, 5, 3)
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60
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"""
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return round(float((pressure * volume) / (0.0821 * moles)))
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if __name__ == "__main__":
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import doctest
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doctest.testmod()
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