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working on ExtracXsecPy.py

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Ryan@Home 2024-11-03 23:33:37 -05:00
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PyGUIQt6/ExtractXsecPy.py Normal file
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#!/usr/bin/python3
import numpy as np
def extract_xsec(read_file, index_for_elastic=1):
# index_for_elastic = 1 ; for Ratio
# index_for_elastic = 2 ; for Total
# index_for_elastic = 3 ; for Rutherford
# --- open file
try:
with open(read_file, 'r') as file_in:
# ---- variable for Xsec
title = []
data_matrix = []
angle = []
Ex = []
total_xsec = []
reaction = []
angle_min = 0
angle_max = 0
angle_step = -1
# ================================== read file
line_num = 0
data_xsec = []
start_extract = False
angle_filled = False
num_cal = 0
reaction_flag = 0
pre_find_for_elastic = False
print("======================================================")
for line in file_in:
line_num += 1
line = line.strip()
# ---- find Title
find_str = "$============================================"
pos = line.find(find_str)
if pos != -1:
title.append(line[pos + len(find_str) + 1:])
pos = title[-1].find("(")
ex = title[-1][3:pos]
Ex.append(float(ex))
data_xsec.clear()
num_cal += 1
continue
# ---- find Reaction
find_str = "0INPUT... CHANNEL"
pos = line.find(find_str)
if pos != -1:
reaction.append(line[pos + len(find_str) + 1:])
reaction_flag = 1 # 1 for (d,d) or (p,p)
continue
find_str = "REACTION:"
pos = line.find(find_str)
if pos != -1:
reaction.append(line[pos + len(find_str) + 1:])
reaction_flag = 2 # 2 for (d,p) or (p,d)
continue
# ----- pre find for Elastic scattering
find_str = "0 OPTICAL MODEL SCATTERING FOR THE OUTGOING CHANNEL"
pos = line.find(find_str)
if pos != -1:
pre_find_for_elastic = True
continue
# ----- find angle setting when not known
if angle_step == -1:
find_str = "anglemin="
pos = line.find(find_str)
if pos != -1:
pos1 = line.find("anglemax=")
angle_min = float(line[pos + len(find_str):pos1].strip())
pos = pos1
pos1 = line.find("anglestep=")
angle_max = float(line[pos + len(find_str):pos1].strip())
angle_step = float(line[pos1 + len(find_str) + 1:].strip())
continue
# ----- check if start extracting Xsec or not
find_str = "dumpdumpdump"
if reaction_flag == 1 and pre_find_for_elastic:
find_str = "C.M. LAB RUTHERFORD"
if reaction_flag == 2:
find_str = "0 C.M. REACTION REACTION LOW L HIGH L % FROM"
pos = line.find(find_str)
if pos != -1:
start_extract = True
continue
# ----- start extracting Xsec
if start_extract:
if len(line) < 20:
continue
num_angle = num_xsec = None
if reaction_flag == 1: # Elastics (d,d) or (p,p)
num_angle = float(line[0:7].strip())
if index_for_elastic == 1:
num_xsec = float(line[15:30].strip())
elif index_for_elastic == 2:
if len(line) > 60:
num_xsec = float(line[30:43].strip())
else:
num_xsec = -404
else:
if len(line) > 60:
num_xsec = float(line[57:71].strip())
else:
num_xsec = -404
if reaction_flag == 2: # InElastics (d,p) or (p,d)
if is_float(line[0:7].strip()):
num_angle = float(line[0:7].strip())
num_xsec = float(line[7:26].strip())
else:
num_angle = -1.0
num_xsec = -1.0
if num_angle != num_xsec and num_xsec > 0.:
if not angle_filled:
angle.append(num_angle)
data_xsec.append(num_xsec)
# ------ find total Xsec, if found stop extraction
find_str = "dumpdumpdump"
if reaction_flag == 1 and pre_find_for_elastic:
find_str = "0TOTAL REACTION CROSS SECTION ="
if reaction_flag == 2:
find_str = "0TOTAL:"
pos = line.find(find_str)
if pos != -1:
total_xsec.append(float(line[pos + len(find_str):].strip()))
print(f"{num_cal:2d} | {title[-1]} | total Xsec(4pi): {total_xsec[-1]} mb")
data_matrix.append(data_xsec[:])
angle_filled = True
start_extract = False
reaction_flag = 0
pre_find_for_elastic = False
continue
# ================================== summary
print("====================== Total number of lines read : ", line_num)
print(f"Angle : {angle_min:5.2f}, {angle_max:5.2f} | step : {angle_step:5.2f}")
print("Number of Angles read : ", len(angle))
print("Number of data read : ", len(data_xsec))
print("Number of Reactions : ", len(reaction))
print("----------------------------- list of Calculation")
reaction_str_len = max(len(r) for r in reaction)
partial_xsec = []
for i in range(num_cal):
partial_sum_xsec = 0.0
for j in range(len(data_matrix[i])):
theta = np.radians(angle[j])
d_theta = np.radians(angle_step)
phi = 2 * np.pi
partial_sum_xsec += data_matrix[i][j] * np.sin(theta) * d_theta * phi
partial_xsec.append(partial_sum_xsec)
pos = title[i].find(")")
print(f"{reaction[i]:>{reaction_str_len + 3}} | {title[i][pos + 1:]} | Xsec({angle_min:3.0f}-{angle_max:3.0f} deg) : {partial_sum_xsec:.6f} mb")
print("---------------------------------------------------")
# ================================== save *.Ex.txt
save_ex_name = f"{read_file[:-4]}.Ex.txt"
print("Output : ", save_ex_name)
with open(save_ex_name, 'w') as file_ex:
file_ex.write("//generated_by_ExtractXSec.h____Ex____Xsec(4pi)____SF____sigma\n")
for i in range(num_cal):
file_ex.write(f"{Ex[i]:9.5f} {partial_xsec[i]:9.5f} 1.0 0.000\n")
file_ex.write("#=====End_of_File\n")
# ================================== save file.Xsec.txt
save_file_name = f"{read_file[:-4]}.Xsec.txt"
print("Output : ", save_file_name)
with open(save_file_name, 'w') as file_out:
for r in reaction:
file_out.write(f"#{r}\n")
file_out.write("Angel\t")
for t in title:
file_out.write(f"{t:19}")
file_out.write("\n")
for i in range(len(angle)):
file_out.write(f"{angle[i]:8.3f}\t")
for j in range(num_cal):
file_out.write(f"{data_matrix[j][i]:19.6f}")
file_out.write("\n")
except Exception as e:
print(f"An error occurred: {e}")
def is_float(value):
try:
float(value)
return True
except ValueError:
return False