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Merge pull request #2 from rasmusvt/rasmus_interactive_offset

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Rasmus interactive offset
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Halvor Høen Hval 2022-03-31 14:07:59 +02:00 • committed by GitHub Enterprise
commit bdce18d195
2 changed files with 27 additions and 7 deletions
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20
beamtime/xrd/io.py
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@ -341,11 +341,13 @@ def read_data(data, options={}, index=0):
diffractogram, wavelength = read_xy(data=data, options=options, index=index) diffractogram, wavelength = read_xy(data=data, options=options, index=index)
if options['normalise']:
diffractogram['I'] = diffractogram['I'] / diffractogram['I'].max()
if options['offset']: if options['offset'] or options['normalise']:
# Make copy of the original intensities before any changes are made through normalisation or offset, to easily revert back if need to update.
diffractogram['I_org'] = diffractogram['I']
diffractogram['2th_org'] = diffractogram['2th']
diffractogram = apply_offset(diffractogram, wavelength, index, options) diffractogram = apply_offset(diffractogram, wavelength, index, options)
@ -355,13 +357,21 @@ def read_data(data, options={}, index=0):
def apply_offset(diffractogram, wavelength, index, options): def apply_offset(diffractogram, wavelength, index, options):
options['current_offset_y'] = options['offset_y']
options['current_offset_x'] = options['offset_x']
#Apply offset along y-axis #Apply offset along y-axis
diffractogram['I_org'] = diffractogram['I'] # make copy of original intensities diffractogram['I'] = diffractogram['I_org'] # Reset intensities
if options['normalise']:
diffractogram['I'] = diffractogram['I'] / diffractogram['I'].max()
diffractogram['I'] = diffractogram['I'] + index*options['offset_y'] diffractogram['I'] = diffractogram['I'] + index*options['offset_y']
# Apply offset along x-axis # Apply offset along x-axis
relative_shift = (wavelength / 1.54059)*options['offset_x'] # Adjusts the offset-factor to account for wavelength, so that offset_x given is given in 2th_cuka-units relative_shift = (wavelength / 1.54059)*options['offset_x'] # Adjusts the offset-factor to account for wavelength, so that offset_x given is given in 2th_cuka-units
diffractogram['2th_org'] = diffractogram['2th'] diffractogram['2th'] = diffractogram['2th_org']
diffractogram['2th'] = diffractogram['2th'] + index*relative_shift diffractogram['2th'] = diffractogram['2th'] + index*relative_shift

14
beamtime/xrd/plot.py
View file

@ -81,6 +81,13 @@ def plot_diffractogram(data, options={}):
options['xlim'] = [diffractogram[options['x_vals']].min(), diffractogram[options['x_vals']].max()] options['xlim'] = [diffractogram[options['x_vals']].min(), diffractogram[options['x_vals']].max()]
if options['interactive_session_active']:
if options['offset']:
if (options['offset_x'] != options['current_offset_x']) or (options['offset_y'] != options['current_offset_y']):
for i, (diff, wl) in enumerate(zip(data['diffractogram'], data['wavelength'])):
xrd.io.apply_offset(diff, wl, i, options)
# Start inteactive session with ipywidgets. Disables options['interactive'] in order for the interactive loop to not start another interactive session # Start inteactive session with ipywidgets. Disables options['interactive'] in order for the interactive loop to not start another interactive session
if options['interactive']: if options['interactive']:
options['interactive'] = False options['interactive'] = False
@ -156,7 +163,9 @@ def plot_diffractogram(data, options={}):
if options['interactive_session_active']: if options['interactive_session_active']:
btp.update_widgets(options=options) btp.update_widgets(options=options)
xrd.io.up
return diffractogram, fig, ax return diffractogram, fig, ax
@ -227,7 +236,8 @@ def plot_diffractogram_interactive(data, options):
x_vals=widgets.Dropdown(options=['2th', 'd', '1/d', 'q', 'q2', 'q4', '2th_cuka', '2th_moka'], value='2th', description='X-values'), x_vals=widgets.Dropdown(options=['2th', 'd', '1/d', 'q', 'q2', 'q4', '2th_cuka', '2th_moka'], value='2th', description='X-values'),
xlim=options['widgets']['xlim']['w'], xlim=options['widgets']['xlim']['w'],
ylim=widgets.FloatRangeSlider(value=[ymin_start, ymax_start], min=ymin, max=ymax, step=0.5, layout=widgets.Layout(width='95%')), ylim=widgets.FloatRangeSlider(value=[ymin_start, ymax_start], min=ymin, max=ymax, step=0.5, layout=widgets.Layout(width='95%')),
offset_y=widgets.FloatSlider(value=options['offset_y'], min=-5, max=5) offset_y=widgets.BoundedFloatText(value=options['offset_y'], min=-5, max=5, step=0.01),
offset_x=widgets.BoundedFloatText(value=options['offset_x'], min=-1, max=1, step=0.01)
) )
else: else: