Add Detectors and Dose tallies

.gitignore

@@ -160,3 +160,14 @@ cython_debug/
 #  and can be added to the global gitignore or merged into this file.  For a more nuclear
 #  option (not recommended) you can uncomment the following to ignore the entire idea folder.
 #.idea/
+
+# Compiled objects and modules
+*.a
+*.o
+*.log
+*.out
+*.pkl
+summary.*
+statepoint.*
+*.vtk
+*.xml

analysis/neutron/helpers.py

@@ -1,6 +1,9 @@
 import math
 import openmc
-
+import matplotlib.pyplot as plt
+import pandas as pd
+import numpy as np
+from typing import Iterable
 
 def get_exp_cllif_density(temp, LiCl_frac=0.695):
     """Calculates density of ClLiF [g/cc] from temperature in Celsius
@@ -32,28 +35,76 @@ def calculate_cylinder_volume(radius, height):
     volume = math.pi * radius**2 * height
     return volume
 
+def calculate_circle_surface(radius):
+    area = math.pi * radius**2
+    return area
+
+def rescale_to_lethargy(df: pd.DataFrame, normalize_over: Iterable = None) -> pd.DataFrame:
+    """Rescale the mean and std. dev. of a DataFrame to lethargy values.
+    Useful when it comes to plot a particle energy spectrum in lethargy scale.
+
+    Parameters
+    ----------
+    df : pd.DataFrame
+        DataFrame containing an energy spectrum tally. it needs to contain
+        'mean' and 'std. dev.' columns, as well as 'energy low [eV]' and 
+        'energy high [eV]' columns.
+    normalize_over : Iterable, optional
+        Some openmc tallies (e.g. cell tally, surface tally) need to be normalized 
+        by their filter dimension (e.g cell volume, surface area), by default None
+
+    Returns
+    -------
+    pd.DataFrame
+        DataFrame with the mean and std. dev. rescaled to lethargy values.
+    """
+    # Copy the DataFrame to avoid modifying the original
+    df_lethargy = df.copy()
+
+    # Calculate the lethargy of the energy bins
+    lethargy = np.log(
+        df_lethargy['energy high [eV]'] / df_lethargy['energy low [eV]'])
+
+    # normalize tally over tally filter dimension (e.g. cell volume, surface area etc.)
+    if normalize_over is not None:
+        df_lethargy['mean'] = df_lethargy['mean'] / normalize_over
+        df_lethargy['std. dev.'] = df_lethargy['std. dev.'] / normalize_over
+
+    # Rescale the mean and std. dev. to lethargy
+    df_lethargy['mean'] = df_lethargy['mean'] / lethargy
+    df_lethargy['std. dev.'] = df_lethargy['std. dev.'] / lethargy
+
+    return df_lethargy
+
+def plot_results(df, ylabel, label, color):
+
+    figsize = (10, 5)
+
+    fig, ax = plt.subplots(nrows=1, ncols=2, figsize=figsize, constrained_layout=True)
+
+    ax[0].set_xscale('log')
+    ax[1].set_xscale('linear')
+
+    for i in range(2):
+        ax[i].set_yscale('log')
+        ax[i].tick_params(axis='both', which='both', direction='in', labelsize=12)
+        ax[i].set_xlabel('Energy (eV)', fontsize=12)
+
+    ax[0].set_ylabel(ylabel, fontsize=12)
+
+    ax[0].annotate("Log scale on x", [0.05, 0.01], xycoords='axes fraction',
+                    horizontalalignment='left', verticalalignment='bottom', fontsize=12)
+    ax[1].annotate("Lin scale on x", [0.05, 0.01], xycoords='axes fraction',
+                    horizontalalignment='left', verticalalignment='bottom', fontsize=12)
+
+    # Plot
+
+    ax[0].step(df['energy low [eV]'], df["mean"], linestyle='-', label=label, color=color)
+    ax[0].fill_between(df['energy low [eV]'], df["mean"] - df["std. dev."], df["mean"] + df["std. dev."], color='gray', step='pre', alpha=0.5)
+
+    ax[1].step(df['energy low [eV]'], df["mean"], linestyle='-', label=label, color=color)
+    ax[1].fill_between(df['energy low [eV]'], df["mean"] - df["std. dev."], df["mean"] + df["std. dev."], color='gray', step='pre', alpha=0.5)
 
-def translate_surface(
-    surface: (
-        openmc.XPlane | openmc.YPlane | openmc.ZPlane | openmc.Plane | openmc.Sphere
-    ),
-    dx: float,
-    dy: float,
-    dz: float,
-) -> openmc.Surface:
-    """Translate an OpenMC surface by dx, dy, dz."""
-    if isinstance(surface, openmc.XPlane):
-        surface.x0 += dx
-    elif isinstance(surface, openmc.YPlane):
-        surface.y0 += dy
-    elif isinstance(surface, openmc.ZPlane):
-        surface.z0 += dz
-    elif isinstance(surface, openmc.Plane):
-        surface.d += surface.a * dx + surface.b * dy + surface.c * dz
-    elif isinstance(surface, openmc.Sphere):
-        surface.x0 += dx
-        surface.y0 += dy
-        surface.z0 += dz
-    else:
-        raise TypeError(f"Unsupported surface type: {type(surface)}")
-    return surface
+    ax[0].legend()
+
+    plt.show()

analysis/neutron/irdff2_xs/dos-irdff2-4025.acef

@@ -0,0 +1,45 @@
+ 40090.34y   89.132400  2.5300E-08   12/09/20
+IRDFF-II dosimetry data for MAT 4025 in ace format                       mat4025
+      0         0.      0         0.      0         0.      0         0.
+      0         0.      0         0.      0         0.      0         0.
+      0         0.      0         0.      0         0.      0         0.
+      0         0.      0         0.      0         0.      0         0.
+      130    40090        0        1        0        0        0        0
+        0        0        0        0        0        0        0        0
+        1        0        1        0        0        2        3        0
+        0        0        0        0        0        0        0        0
+        0        0        0        0        0      130        0        0
+        0        0        0        0        0        0        0        0
+                  16                   1                   0                  63
+   1.21040000000E+01   1.22000000000E+01   1.22500000000E+01   1.23000000000E+01
+   1.23500000000E+01   1.24000000000E+01   1.24500000000E+01   1.25000000000E+01
+   1.25500000000E+01   1.26000000000E+01   1.27000000000E+01   1.28000000000E+01
+   1.29000000000E+01   1.30000000000E+01   1.33000000000E+01   1.34000000000E+01
+   1.35000000000E+01   1.36000000000E+01   1.37000000000E+01   1.38000000000E+01
+   1.39000000000E+01   1.40000000000E+01   1.41000000000E+01   1.43000000000E+01
+   1.45100000000E+01   1.47000000000E+01   1.49000000000E+01   1.51000000000E+01
+   1.54000000000E+01   1.57000000000E+01   1.60000000000E+01   1.64000000000E+01
+   1.68000000000E+01   1.73000000000E+01   1.78000000000E+01   1.84000000000E+01
+   1.90000000000E+01   1.97000000000E+01   2.00001000000E+01   2.10000000000E+01
+   2.20000000000E+01   2.30000000000E+01   2.40000000000E+01   2.50000000000E+01
+   2.60000000000E+01   2.70000000000E+01   2.80000000000E+01   2.90000000000E+01
+   3.00000000000E+01   3.20000000000E+01   3.40000000000E+01   3.60000000000E+01
+   3.80000000000E+01   4.00000000000E+01   4.20000000000E+01   4.40000000000E+01
+   4.80000000000E+01   5.00000000000E+01   5.20000000000E+01   5.40000000000E+01
+   5.60000000000E+01   5.80000000000E+01   6.00000000000E+01   0.00000000000E+00
+   1.02949000000E-02   1.56070000000E-02   2.25531000000E-02   3.10396000000E-02
+   4.09663000000E-02   5.22282000000E-02   6.47171000000E-02   7.83233000000E-02
+   9.29366000000E-02   1.24754000000E-01   1.59333000000E-01   1.95905000000E-01
+   2.33779000000E-01   3.49715000000E-01   3.87743000000E-01   4.24968000000E-01
+   4.61196000000E-01   4.96287000000E-01   5.30146000000E-01   5.62715000000E-01
+   5.93964000000E-01   6.23888000000E-01   6.79822000000E-01   7.33174000000E-01
+   7.77037000000E-01   8.19073000000E-01   8.57270000000E-01   9.08212000000E-01
+   9.52580000000E-01   9.91391000000E-01   1.03593000000E+00   1.07365000000E+00
+   1.11300000000E+00   1.14519000000E+00   1.17589000000E+00   1.19901000000E+00
+   1.21713000000E+00   1.22203000000E+00   1.21543000000E+00   1.19705000000E+00
+   1.16953000000E+00   1.11825000000E+00   1.02980000000E+00   9.03038000000E-01
+   7.64678000000E-01   6.47938000000E-01   5.57368000000E-01   4.89432000000E-01
+   4.02659000000E-01   3.55297000000E-01   3.32784000000E-01   3.19328000000E-01
+   3.09996000000E-01   3.02136000000E-01   2.95414000000E-01   2.74556000000E-01
+   2.66168000000E-01   2.56521000000E-01   2.51667000000E-01   2.48072000000E-01
+   2.45168000000E-01   2.37592000000E-01