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Update comm_export.py

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Added the fit value/ num integrated value choice
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JakHolzer 2020-09-21 11:26:47 +02:00 committed by GitHub
parent bcb4ef9849
commit 4c0b195b7a
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1 changed files with 40 additions and 40 deletions
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pyzebra/comm_export.py
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@ -30,46 +30,46 @@ def export_comm(data, path, lorentz=False):
padding = [4, 6, 10, 8]
with open(str(path + extension), "w") as out_file:
for meas_num, meas in data["Measurements"].items():
print(meas_num)
if meas.get("fit") is None:
print("Measurement skipped - no fit value for:", meas_num)
continue
for keys in data["Measurements"]:
try:
meas_number_str = f"{keys[1:]:{align}{padding[0]}}"
h_str = f'{int(data["Measurements"][str(keys)]["h_index"]):{padding[1]}}'
k_str = f'{int(data["Measurements"][str(keys)]["k_index"]):{padding[1]}}'
l_str = f'{int(data["Measurements"][str(keys)]["l_index"]):{padding[1]}}'
if data["Measurements"][str(keys)]["fit"]["export_fit"] is True:
area = float(data["Measurements"][str(keys)]["fit"]["g_amp"].value)
sigma_str = f'{"{:8.2f}".format(float(data["Measurements"][str(keys)]["fit"]["g_amp"].stderr)):{align}{padding[2]}}'
else:
area = float(data["Measurements"][str(keys)]["fit"]["int_area"].n)
sigma_str = f'{"{:8.2f}".format(float(data["Measurements"][str(keys)]["fit"]["int_area"].s)):{align}{padding[2]}}'
meas_number_str = f"{meas_num[1:]:{align}{padding[0]}}"
h_str = f'{int(meas["h_index"]):{padding[1]}}'
k_str = f'{int(meas["k_index"]):{padding[1]}}'
l_str = f'{int(meas["l_index"]):{padding[1]}}'
if meas["fit"]["export_fit"] is True:
area = float(meas["fit"]["g_amp"][0]) + float(meas["fit"]["l_amp"][0])
else:
area = float(meas["fit"]["int_area"]) - float(meas["fit"]["int_background"][0])
if data["meta"]["zebra_mode"] == "bi":
int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], data["Measurements"][str(keys)]["twotheta_angle"])):{align}{padding[2]}}'
angle_str1 = f'{data["Measurements"][str(keys)]["twotheta_angle"]:{padding[3]}}'
angle_str2 = f'{data["Measurements"][str(keys)]["omega_angle"]:{padding[3]}}'
angle_str3 = f'{data["Measurements"][str(keys)]["chi_angle"]:{padding[3]}}'
angle_str4 = f'{data["Measurements"][str(keys)]["phi_angle"]:{padding[3]}}'
elif data["meta"]["zebra_mode"] == "nb":
int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], data["Measurements"][str(keys)]["gamma_angle"],data["Measurements"][str(keys)]["nu_angle"])):{align}{padding[2]}}'
angle_str1 = f'{data["Measurements"][str(keys)]["gamma_angle"]:{padding[3]}}'
angle_str2 = f'{data["Measurements"][str(keys)]["omega_angle"]:{padding[3]}}'
angle_str3 = f'{data["Measurements"][str(keys)]["nu_angle"]:{padding[3]}}'
angle_str4 = f'{data["Measurements"][str(keys)]["unkwn_angle"]:{padding[3]}}'
if data["meta"]["zebra_mode"] == "bi":
int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], meas["twotheta_angle"])):{align}{padding[2]}}'
angle_str1 = f'{meas["twotheta_angle"]:{padding[3]}}'
angle_str2 = f'{meas["omega_angle"]:{padding[3]}}'
angle_str3 = f'{meas["chi_angle"]:{padding[3]}}'
angle_str4 = f'{meas["phi_angle"]:{padding[3]}}'
elif data["meta"]["zebra_mode"] == "nb":
int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], meas["gamma_angle"],meas["nu_angle"])):{align}{padding[2]}}'
angle_str1 = f'{meas["gamma_angle"]:{padding[3]}}'
angle_str2 = f'{meas["omega_angle"]:{padding[3]}}'
angle_str3 = f'{meas["nu_angle"]:{padding[3]}}'
angle_str4 = f'{meas["unkwn_angle"]:{padding[3]}}'
line = (
meas_number_str
+ h_str
+ l_str
+ k_str
+ int_str
+ sigma_str
+ angle_str1
+ angle_str2
+ angle_str3
+ angle_str4
+ "\n"
)
out_file.write(line)
sigma_str = f'{"{:8.2f}".format(float(meas["fit"]["g_width"][0])):{align}{padding[2]}}'
line = (
meas_number_str
+ h_str
+ l_str
+ k_str
+ int_str
+ sigma_str
+ angle_str1
+ angle_str2
+ angle_str3
+ angle_str4
+ "\n"
)
out_file.write(line)
except KeyError:
print("Measurement skipped - no fit value for:", keys)