Update comm_export.py
This commit is contained in:
JakHolzer
Ivan Usov
parent
5ad3ccc3a2
commit
a24982fa0b
@ -1,6 +1,5 @@
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path = 'C:\\Users\\Jakub\\Desktop\\'
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name = 'test'
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extension = '.comm'
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path = "C:\\Users\\Jakub\\Desktop\\"
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name = "test"
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def fill_string(string, total_lenght):
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@ -9,8 +8,8 @@ def fill_string(string, total_lenght):
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:arg total_lenght - length of the final string
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:return string of the lenght of total_lenght
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"""
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white_spaces = ' '*total_lenght
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return_string = white_spaces[:-len(str(string))] + str(string)
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white_spaces = " " * total_lenght
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return_string = white_spaces[: -len(str(string))] + str(string)
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return return_string
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@ -19,25 +18,120 @@ def export_comm(data, name):
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:arg data - data to export, is dict after peak fitting
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arg: name - name of the exported file
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"""
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out_file = open(str(path+name+extension), "w")
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for keys in data["Measurements"]:
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try:
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meas_number_str = fill_string(keys[1:], 6)
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h_str = fill_string(int(data["Measurements"][str(keys)]['h_index']), 4)
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k_str = fill_string(int(data["Measurements"][str(keys)]['k_index']), 4)
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l_str = fill_string(int(data["Measurements"][str(keys)]['l_index']), 4)
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int_str = fill_string("{:10.2f}".format(data["Measurements"][str(keys)]['fit']['g_amp'][0]), 10)
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sigma_str = fill_string("{:10.2f}".format(data["Measurements"][str(keys)]['fit']['g_width'][0]), 10)
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twotheta_str = fill_string("{:8.2f}".format(data["Measurements"][str(keys)]["twotheta_angle"]), 8)
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omega_str = fill_string("{:8.2f}".format(data["Measurements"][str(keys)]["omega_angle"]), 8)
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chi_str = fill_string("{:8.2f}".format(data["Measurements"][str(keys)]["chi_angle"]), 8)
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phi_str = fill_string("{:8.2f}".format(data["Measurements"][str(keys)]["phi_angle"]), 8)
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line = meas_number_str + h_str + l_str + k_str + int_str + sigma_str + twotheta_str + omega_str + chi_str + phi_str + "\n"
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out_file.write(line)
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print('Measurement written:', keys)
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except KeyError:
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print('Measurement skipped - no fit value for:', keys)
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if data["meta"]["indices"] == "hkl":
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extension = ".comm"
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with open(str(path + name + extension), "w") as out_file:
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for keys in data["Measurements"]:
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try:
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meas_number_str = fill_string(keys[1:], 6)
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h_str = fill_string(int(data["Measurements"][str(keys)]["h_index"]), 4)
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k_str = fill_string(int(data["Measurements"][str(keys)]["k_index"]), 4)
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l_str = fill_string(int(data["Measurements"][str(keys)]["l_index"]), 4)
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int_str = fill_string(
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"{:10.2f}".format(data["Measurements"][str(keys)]["fit"]["g_amp"][0]), 10
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)
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sigma_str = fill_string(
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"{:10.2f}".format(data["Measurements"][str(keys)]["fit"]["g_width"][0]), 10
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)
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if data["meta"]["zebra_mode"] == 'bi':
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twotheta_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["twotheta_angle"]), 8
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)
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omega_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["omega_angle"]), 8
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)
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chi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["chi_angle"]), 8
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)
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phi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["phi_angle"]), 8
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)
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elif data["meta"]["zebra_mode"] == 'nb':
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twotheta_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["gamma_angle"]), 8
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)
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omega_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["omega_angle"]), 8
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)
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chi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["nu_angle"]), 8
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)
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phi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["unkwn_angle"]), 8
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)
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out_file.close()
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line = (
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meas_number_str
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+ h_str
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+ l_str
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+ k_str
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+ int_str
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+ sigma_str
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+ twotheta_str
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+ omega_str
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+ chi_str
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+ phi_str
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+ "\n"
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)
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out_file.write(line)
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except KeyError:
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print("Measurement skipped - no fit value for:", keys)
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elif data["meta"]["indices"] == "real":
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extension = ".incomm"
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with open(str(path + name + extension), "w") as out_file:
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for keys in data["Measurements"]:
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try:
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meas_number_str = fill_string(keys[1:], 4)
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h_str = fill_string(int(data["Measurements"][str(keys)]["h_index"]), 6)
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k_str = fill_string(int(data["Measurements"][str(keys)]["k_index"]), 6)
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l_str = fill_string(int(data["Measurements"][str(keys)]["l_index"]), 6)
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int_str = fill_string(
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"{:10.2f}".format(data["Measurements"][str(keys)]["fit"]["g_amp"][0]), 10
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)
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sigma_str = fill_string(
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"{:10.2f}".format(data["Measurements"][str(keys)]["fit"]["g_width"][0]), 10
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)
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if data["meta"]["zebra_mode"] == 'bi':
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twotheta_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["twotheta_angle"]), 8
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)
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omega_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["omega_angle"]), 8
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)
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chi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["chi_angle"]), 8
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)
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phi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["phi_angle"]), 8
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)
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elif data["meta"]["zebra_mode"] == 'nb':
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twotheta_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["gamma_angle"]), 8
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)
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omega_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["omega_angle"]), 8
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)
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chi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["nu_angle"]), 8
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)
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phi_str = fill_string(
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"{:8.2f}".format(data["Measurements"][str(keys)]["unkwn_angle"]), 8
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)
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line = (
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meas_number_str
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+ h_str
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+ l_str
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+ k_str
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+ int_str
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+ sigma_str
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+ twotheta_str
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+ omega_str
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+ chi_str
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+ phi_str
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+ "\n"
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)
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out_file.write(line)
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except KeyError:
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print("Measurement skipped - no fit value for:", keys)
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