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@ -16,7 +16,7 @@ repos:
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- id: auto-walrus
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- id: auto-walrus
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- repo: https://github.com/astral-sh/ruff-pre-commit
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- repo: https://github.com/astral-sh/ruff-pre-commit
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rev: v0.7.2
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rev: v0.7.3
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hooks:
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hooks:
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- id: ruff
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- id: ruff
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- id: ruff-format
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- id: ruff-format
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@ -42,7 +42,7 @@ repos:
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pass_filenames: false
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pass_filenames: false
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- repo: https://github.com/abravalheri/validate-pyproject
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- repo: https://github.com/abravalheri/validate-pyproject
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rev: v0.22
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rev: v0.23
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hooks:
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hooks:
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- id: validate-pyproject
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- id: validate-pyproject
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@ -172,7 +172,7 @@ def solved(values):
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def from_file(filename, sep="\n"):
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def from_file(filename, sep="\n"):
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"Parse a file into a list of strings, separated by sep."
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"Parse a file into a list of strings, separated by sep."
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return open(filename).read().strip().split(sep) # noqa: SIM115
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return open(filename).read().strip().split(sep)
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def random_puzzle(assignments=17):
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def random_puzzle(assignments=17):
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48
physics/translation_partition
Normal file
48
physics/translation_partition
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@ -0,0 +1,48 @@
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import math
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def translation_partition_function(mass: float, temperature: float,
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volume: float) -> float:
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"""
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Calculates the translational partition
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function using the formula:
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q_trans = ((2 * pi * m * k_B * T)^(3/2) * V) / h^3
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mass: Mass of the molecule in kg
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temperature: Temperature in Kelvin
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volume: Volume in cubic meters
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>>> round(translation_partition_function(2e-26, 300, 1e-3), 4)
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4.081816847078438e+28
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>>> round(translation_partition_function(4e-26, 300, 1e-3), 4)
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1.1545121488522627e+29
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>>> round(translation_partition_function(-4e-26, 300, 1e-3), 4)
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Traceback (most recent call last):
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...
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ValueError: Mass must be positive
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>>> round(translation_partition_function(4e-26, 0, 1e-3), 4)
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Traceback (most recent call last):
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...
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ValueError: Temperature must be positive
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>>> round(translation_partition_function(4e-26, 300, 0), 4)
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Traceback (most recent call last):
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...
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ValueError: Volume must be positive
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"""
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if mass <= 0:
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raise ValueError("Mass must be positive")
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if temperature <= 0:
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raise ValueError("Temperature must be positive")
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if volume <= 0:
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raise ValueError("Volume must be positive")
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h = 6.62607015e-34 # Planck's constant in J·s
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k_B = 1.380649e-23 # Boltzmann constant in J/K
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prefactor = (2 * math.pi * mass * k_B * temperature) ** (3 / 2)
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denominator = h ** 3
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return (prefactor * volume) / denominator
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if __name__ == "__main__":
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import doctest
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doctest.testmod(name="translation_partition_function")
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@ -1,4 +1,4 @@
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#!/usr/bin/env python3
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#!python
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import os
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import os
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try:
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try:
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