Create bragg_angle.py

physics/bragg_angle.py

@@ -0,0 +1,41 @@
+import math
+
+
+def bragg_angle(distance: float, order: int, wavelength: float) -> float:
+    """
+    Calculate the Bragg diffraction angle using the formula:
+    sin(θ) = (n * λ) / (2 * d)
+
+    Parameters:
+    distance d (float): Distance between crystal planes (in meters).
+    order n (int): Order of reflection.
+    wavelength λ (float): Wavelength of the radiation (in meters).
+
+    Examples:
+    >>> bragg_angle(2.2e-10, 1, 2.2e-10)
+    30.0
+
+    >>> bragg_angle(5e-10, 2, 1e-10)
+    11.5
+
+    >>> bragg_angle(4e-10, 1, 4e-10)
+    30.0
+
+    # Test case for an invalid sine value (out of range)
+    >>> bragg_angle(1e-10, 2, 3e-10)
+    Traceback (most recent call last):
+        ...
+    ValueError: The calculated sine value is out of the valid range.
+    """
+    sine_theta = (order * wavelength) / (2 * distance)
+    if sine_theta > 1 or sine_theta < -1:
+        raise ValueError("The calculated sine value is out of the valid range.")
+    theta_radians = math.asin(sine_theta)
+    theta_degrees = math.degrees(theta_radians)
+    return round(theta_degrees, 1)
+
+
+if __name__ == "__main__":
+    import doctest
+
+    doctest.testmod(verbose=True)