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5 Commits

Author SHA1 Message Date
nikhitha79
3aaf6dc088
Merge 4200aa200b into e3bd7721c8 2024-11-18 10:31:23 +01:00
Christian Clauss
e3bd7721c8
validate_filenames.py Shebang python for Windows (#12371) 2024-11-15 14:59:14 +01:00
pre-commit-ci[bot]
e3f3d668be
[pre-commit.ci] pre-commit autoupdate (#12370)
* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/astral-sh/ruff-pre-commit: v0.7.2 → v0.7.3](https://github.com/astral-sh/ruff-pre-commit/compare/v0.7.2...v0.7.3)
- [github.com/abravalheri/validate-pyproject: v0.22 → v0.23](https://github.com/abravalheri/validate-pyproject/compare/v0.22...v0.23)

* Update sudoku_solver.py

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Christian Clauss <cclauss@me.com>
2024-11-11 21:05:50 +01:00
pre-commit-ci[bot]
4200aa200b [pre-commit.ci] auto fixes from pre-commit.com hooks
for more information, see https://pre-commit.ci
2024-10-30 16:23:03 +00:00
nikhitha79
4fbdd8e171
Create translation_partition 2024-10-30 21:51:02 +05:30
4 changed files with 52 additions and 4 deletions

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@ -16,7 +16,7 @@ repos:
- id: auto-walrus - id: auto-walrus
- repo: https://github.com/astral-sh/ruff-pre-commit - repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.7.2 rev: v0.7.3
hooks: hooks:
- id: ruff - id: ruff
- id: ruff-format - id: ruff-format
@ -42,7 +42,7 @@ repos:
pass_filenames: false pass_filenames: false
- repo: https://github.com/abravalheri/validate-pyproject - repo: https://github.com/abravalheri/validate-pyproject
rev: v0.22 rev: v0.23
hooks: hooks:
- id: validate-pyproject - id: validate-pyproject

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@ -172,7 +172,7 @@ def solved(values):
def from_file(filename, sep="\n"): def from_file(filename, sep="\n"):
"Parse a file into a list of strings, separated by sep." "Parse a file into a list of strings, separated by sep."
return open(filename).read().strip().split(sep) # noqa: SIM115 return open(filename).read().strip().split(sep)
def random_puzzle(assignments=17): def random_puzzle(assignments=17):

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@ -0,0 +1,48 @@
import math
def translation_partition_function(mass: float, temperature: float,
volume: float) -> float:
"""
Calculates the translational partition
function using the formula:
q_trans = ((2 * pi * m * k_B * T)^(3/2) * V) / h^3
mass: Mass of the molecule in kg
temperature: Temperature in Kelvin
volume: Volume in cubic meters
>>> round(translation_partition_function(2e-26, 300, 1e-3), 4)
4.081816847078438e+28
>>> round(translation_partition_function(4e-26, 300, 1e-3), 4)
1.1545121488522627e+29
>>> round(translation_partition_function(-4e-26, 300, 1e-3), 4)
Traceback (most recent call last):
...
ValueError: Mass must be positive
>>> round(translation_partition_function(4e-26, 0, 1e-3), 4)
Traceback (most recent call last):
...
ValueError: Temperature must be positive
>>> round(translation_partition_function(4e-26, 300, 0), 4)
Traceback (most recent call last):
...
ValueError: Volume must be positive
"""
if mass <= 0:
raise ValueError("Mass must be positive")
if temperature <= 0:
raise ValueError("Temperature must be positive")
if volume <= 0:
raise ValueError("Volume must be positive")
h = 6.62607015e-34 # Planck's constant in J·s
k_B = 1.380649e-23 # Boltzmann constant in J/K
prefactor = (2 * math.pi * mass * k_B * temperature) ** (3 / 2)
denominator = h ** 3
return (prefactor * volume) / denominator
if __name__ == "__main__":
import doctest
doctest.testmod(name="translation_partition_function")

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@ -1,4 +1,4 @@
#!/usr/bin/env python3 #!python
import os import os
try: try: