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Add plot functionality for single diffractograms

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This commit is contained in:
rasmusvt 2021-11-08 17:24:58 +01:00
parent d6734184cc
commit 2b1b9b0d9b
3 changed files with 363 additions and 22 deletions
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54
beamtime/xrd/io.py
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@ -90,25 +90,7 @@ def integrate_1d(calibrant, bins, path=None, image=None, options=None):
return open_1d_data(filename)
def open_1d_data(path, options=None):
with open(path, 'r') as f:
position = 0
current_line = f.readline()
while current_line[0] == '#':
position = f.tell()
current_line = f.readline()
f.seek(position)
df = pd.read_csv(f, header=None, delim_whitespace=True)
df.columns = ['2th', 'I']
return df
@ -165,7 +147,7 @@ def view_integrator(calibrant):
def read_brml(path, options=None):
required_options = ['extract_folder']
required_options = ['extract_folder', 'save_folder']
default_options = {
'extract_folder': 'temp',
'save_folder': None
@ -240,9 +222,43 @@ def read_brml(path, options=None):
return diffractogram
def read_diffractogram(path, options=None):
with open(path, 'r') as f:
position = 0
current_line = f.readline()
while current_line[0] == '#':
position = f.tell()
current_line = f.readline()
f.seek(position)
diffractogram = pd.read_csv(f, header=None, delim_whitespace=True)
diffractogram.columns = ['2th', 'I']
return diffractogram
def read_data(path, kind, options=None):
if kind == 'beamline':
diffractogram = read_diffractogram(path, options=options)
elif kind == 'recx':
diffractogram = read_brml(path, options=options)
elif kind == 'image':
diffractogram = get_image_array(path)
return diffractogram