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Fix find_wavelength

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This commit is contained in:
rasmusvt 2022-03-16 15:21:05 +01:00
parent 0e4f14a6e3
commit decb69a599
1 changed files with 30 additions and 9 deletions
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35
beamtime/xrd/io.py
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@ -252,7 +252,10 @@ def read_brml(path, options=None):
return diffractogram
def read_xy(data):
def read_xy(data, options):
if 'wavelength' not in data.keys():
find_wavelength(data=data, file_ext='xy')
with open(data['path'], 'r') as f:
position = 0
@ -260,7 +263,6 @@ def read_xy(data):
current_line = f.readline()
while current_line[0] == '#' or "\'":
find_wavelength(line=current_line, data=data)
position = f.tell()
current_line = f.readline()
@ -286,10 +288,10 @@ def read_data(data, options={}):
diffractogram = integrate_1d(data=data, options=options)
elif file_extension == 'brml':
diffractogram = read_brml(path=data['path'], options=options)
diffractogram = read_brml(data=data, options=options)
elif file_extension in['xy', 'xye']:
diffractogram = read_xy(data['path'])
diffractogram = read_xy(data=data, options=options)
return diffractogram
@ -359,10 +361,29 @@ def translate_wavelengths(diffractogram, wavelength):
def find_wavelength(line, data):
def find_wavelength(data, file_ext):
# Find from EVA-exports
# Find from EVA-exports (.xy)
if file_ext == 'xy':
wavelength_dict = {'Cu': 1.54059, 'Mo': 0.71073}
if 'Anode' in line:
with open(data['path'], 'r') as f:
lines = f.readlines()
for line in lines:
if 'Anode' in line:
anode = line.split()[8].strip('"')
data['wavelength'] = wavelength_dict[anode]
# Find from .poni-file
if file_ext in ['mar3450', 'edf', 'cbf']:
if 'calibrant' in data.keys():
with open(data['calibrant'], 'r') as f:
lines = f.readlines()
for line in lines:
if 'Wavelength' in line:
data['wavelength'] = float(line.split[-1])