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nikhitha79pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>Christian Clausscclauss* Create bragg_angle.py * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * updating DIRECTORY.md --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Christian Clauss <cclauss@me.com> Co-authored-by: cclauss <cclauss@users.noreply.github.com>
42 lines
1.1 KiB
Python
42 lines
1.1 KiB
Python
import math
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def bragg_angle(distance: float, order: int, wavelength: float) -> float:
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"""
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Calculate the Bragg diffraction angle using the formula:
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sin(θ) = (n * λ) / (2 * d)
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Parameters:
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distance d (float): Distance between crystal planes (in meters).
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order n (int): Order of reflection.
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wavelength λ (float): Wavelength of the radiation (in meters).
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Examples:
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>>> bragg_angle(2.2e-10, 1, 2.2e-10)
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30.0
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>>> bragg_angle(5e-10, 2, 1e-10)
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11.5
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>>> bragg_angle(4e-10, 1, 4e-10)
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30.0
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# Test case for an invalid sine value (out of range)
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>>> bragg_angle(1e-10, 2, 3e-10)
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Traceback (most recent call last):
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...
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ValueError: The calculated sine value is out of the valid range.
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"""
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sine_theta = (order * wavelength) / (2 * distance)
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if sine_theta > 1 or sine_theta < -1:
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raise ValueError("The calculated sine value is out of the valid range.")
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theta_radians = math.asin(sine_theta)
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theta_degrees = math.degrees(theta_radians)
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return round(theta_degrees, 1)
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if __name__ == "__main__":
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import doctest
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doctest.testmod(verbose=True)
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