pyTEMlib 0.2025.4.2__py3-none-any.whl → 0.2025.9.1__py3-none-any.whl

build/lib/pyTEMlib/get_bote_salvat.py

@@ -0,0 +1,69 @@
+""" Convert Bote and Salvat cross sections to json format
+    Data from:  Bote and Salvat (1998)  Atomic Data and Nuclear Data Tables 71, 1-15
+"""
+
+
+import json
+import os
+import sys
+
+import numpy as np
+
+sys.path.insert(0, './')
+import pyTEMlib
+print(pyTEMlib.__version__)
+
+def write_bote_salvat_json():
+    """ Convert Bote and Salvat cross sections to json format"""
+    line = 'not empty'
+    x_sec = {}
+    with open('.//data//Bote_Salvat.txt', 'r', encoding='utf-8') as f:
+        while line:
+            line = f.readline()
+            if 'BoteSalvatElementDatum' in line:
+                ele = line.split('[')
+                z = int(ele[0].split('(')[1][:-2])
+                be = []
+                for value in ele[1].split(']')[0].split(','):
+                    be.append(float(value))
+                x_sec[z]= {'Be': be}
+                current_x = x_sec[z]
+            else:
+                if 'Anlj' not in current_x.keys():
+                    alij = []
+                    for value in line.split('[')[1].split(']')[0].split(','):
+                        alij.append(float(value))
+                    current_x['Anlj'] = alij
+                elif 'G' not in current_x.keys():
+                    g = []
+                    gg = []
+                    g_lines =line.split('[')[1].split(']')[0].split(';')
+                    for g_line in g_lines:
+                        g = []
+                        for value in g_line.split(' '):
+                            if value != '':
+                                g.append(float(value))
+                        gg.append(g)
+                    current_x['G'] = gg
+                elif 'edge' not in current_x.keys():
+                    edge = []
+                    for value in line.split('[')[1].split(']')[0].split(','):
+                        edge.append(float(value))
+                    current_x['edge'] = edge
+                elif 'A' not in current_x.keys():
+                    a = []
+                    aa = []
+                    a_lines =line.split('[')[1].split(']')[0].split(';')
+                    for a_line in a_lines:
+                        a = []
+                        for value in a_line.split(' '):
+                            if value != '':
+                                a.append(float(value))
+                        aa.append(a)
+                    current_x['A'] = aa
+        for key, value in x_sec[3].items():
+            print(key, np.array(value))
+
+
+    file_name_out = os.path.join(pyTEMlib.config_path, 'Bote_Salvat.json')
+    json.dump(x_sec, open(file_name_out, 'w', encoding='utf-8'), indent=4)