diff --git a/beamtime/xrd/plot.py b/beamtime/xrd/plot.py index df17e8d..c97dabe 100644 --- a/beamtime/xrd/plot.py +++ b/beamtime/xrd/plot.py @@ -176,9 +176,6 @@ def plot_diffractogram(data, options={}): if options['interactive_session_active']: update_widgets(options=options) - - - return data['diffractogram'], fig, ax @@ -282,38 +279,51 @@ def determine_grid_layout(options): def plot_diffractogram_interactive(data, options): - minmax = {'2th': [None, None], '2th_cuka': [None, None], '2th_moka': [None, None], 'd': [None, None], '1/d': [None, None], 'q': [None, None], 'q2': [None, None], 'q4': [None, None], 'heatmap': [None, None]} + xminmax = {'2th': [None, None], '2th_cuka': [None, None], '2th_moka': [None, None], 'd': [None, None], '1/d': [None, None], 'q': [None, None], 'q2': [None, None], 'q4': [None, None], 'heatmap': [None, None], 'start': [None, None, None, None]} + yminmax = {'diff': [None, None, None, None], 'heatmap': [None, None], 'start': [None, None, None, None]} - update_minmax(minmax=minmax, data=data, options=options) - - ymin, ymax = None, None - for index, diffractogram in enumerate(data['diffractogram']): - if not ymin or (ymin > (diffractogram['I'].min())): #+index*options['offset_y'])): - ymin = diffractogram['I'].min()#+index*options['offset_y'] - - if not ymax or (ymax < (diffractogram['I'].max())):#+index*options['offset_y'])): - ymax = diffractogram['I'].max()#+index*options['offset_y'] + update_xminmax(xminmax=xminmax, data=data, options=options) + update_yminmax(yminmax=yminmax, data=data, options=options) - ymin_start = ymin - 0.1*ymax - ymax_start = ymax+0.2*ymax - ymin = ymin - 5*ymax - ymax = ymax*5 + + # Get start values for ylim slider based on choice (FIXME This can be impleneted into update_yminmax). Can also make a 'start' item that stores the start values, instead of having 4 items in 'diff' as it is now. + if options['heatmap']: + ymin = yminmax['heatmap'][0] + ymax = yminmax['heatmap'][1] + ymin_start = yminmax['heatmap'][0] + ymax_start = yminmax['heatmap'][1] + + elif not options['heatmap']: + ymin = yminmax['diff'][0] + ymax = yminmax['diff'][1] + ymin_start = yminmax['diff'][2] + ymax_start = yminmax['diff'][3] + + + # FIXME The start values for xlim should probably also be decided by initial value of x_vals, and can likewise be implemented in update_xminmax() + options['widgets'] = { 'xlim': { - 'w': widgets.FloatRangeSlider(value=[minmax['2th'][0], minmax['2th'][1]], min=minmax['2th'][0], max=minmax['2th'][1], step=0.5, layout=widgets.Layout(width='95%')), - 'state': '2th', - '2th_default': {'min': minmax['2th'][0], 'max': minmax['2th'][1], 'value': [minmax['2th'][0], minmax['2th'][1]], 'step': 0.5}, - '2th_cuka_default': {'min': minmax['2th_cuka'][0], 'max': minmax['2th_cuka'][1], 'value': [minmax['2th_cuka'][0], minmax['2th_cuka'][1]], 'step': 0.5}, - '2th_moka_default': {'min': minmax['2th_moka'][0], 'max': minmax['2th_moka'][1], 'value': [minmax['2th_moka'][0], minmax['2th_moka'][1]], 'step': 0.5}, - 'd_default': {'min': minmax['d'][0], 'max': minmax['d'][1], 'value': [minmax['d'][0], minmax['d'][1]], 'step': 0.5}, - '1/d_default': {'min': minmax['1/d'][0], 'max': minmax['1/d'][1], 'value': [minmax['1/d'][0], minmax['1/d'][1]], 'step': 0.5}, - 'q_default': {'min': minmax['q'][0], 'max': minmax['q'][1], 'value': [minmax['q'][0], minmax['q'][1]], 'step': 0.5}, - 'q2_default': {'min': minmax['q2'][0], 'max': minmax['q2'][1], 'value': [minmax['q2'][0], minmax['q2'][1]], 'step': 0.5}, - 'q4_default': {'min': minmax['q4'][0], 'max': minmax['q4'][1], 'value': [minmax['q4'][0], minmax['q4'][1]], 'step': 0.5}, - 'heatmap_default': {'min': minmax['heatmap'][0], 'max': minmax['heatmap'][1], 'value': [minmax['heatmap'][0], minmax['heatmap'][1]], 'step': 10} + 'w': widgets.FloatRangeSlider(value=[xminmax['start'][2], xminmax['start'][3]], min=xminmax['start'][0], max=xminmax['start'][1], step=0.5, layout=widgets.Layout(width='95%')), + 'state': options['x_vals'], + '2th_default': {'min': xminmax['2th'][0], 'max': xminmax['2th'][1], 'value': [xminmax['2th'][0], xminmax['2th'][1]], 'step': 0.5}, + '2th_cuka_default': {'min': xminmax['2th_cuka'][0], 'max': xminmax['2th_cuka'][1], 'value': [xminmax['2th_cuka'][0], xminmax['2th_cuka'][1]], 'step': 0.5}, + '2th_moka_default': {'min': xminmax['2th_moka'][0], 'max': xminmax['2th_moka'][1], 'value': [xminmax['2th_moka'][0], xminmax['2th_moka'][1]], 'step': 0.5}, + 'd_default': {'min': xminmax['d'][0], 'max': xminmax['d'][1], 'value': [xminmax['d'][0], xminmax['d'][1]], 'step': 0.5}, + '1/d_default': {'min': xminmax['1/d'][0], 'max': xminmax['1/d'][1], 'value': [xminmax['1/d'][0], xminmax['1/d'][1]], 'step': 0.5}, + 'q_default': {'min': xminmax['q'][0], 'max': xminmax['q'][1], 'value': [xminmax['q'][0], xminmax['q'][1]], 'step': 0.5}, + 'q2_default': {'min': xminmax['q2'][0], 'max': xminmax['q2'][1], 'value': [xminmax['q2'][0], xminmax['q2'][1]], 'step': 0.5}, + 'q4_default': {'min': xminmax['q4'][0], 'max': xminmax['q4'][1], 'value': [xminmax['q4'][0], xminmax['q4'][1]], 'step': 0.5}, + 'heatmap_default': {'min': xminmax['heatmap'][0], 'max': xminmax['heatmap'][1], 'value': [xminmax['heatmap'][0], xminmax['heatmap'][1]], 'step': 10} + }, + 'ylim': { + 'w': widgets.FloatRangeSlider(value=[yminmax['start'][2], yminmax['start'][3]], min=yminmax['start'][0], max=yminmax['start'][1], step=0.5, layout=widgets.Layout(width='95%')), + 'state': 'heatmap' if options['heatmap'] else 'diff', + 'diff_default': {'min': yminmax['diff'][0], 'max': yminmax['diff'][1], 'value': [yminmax['diff'][2], yminmax['diff'][3]], 'step': 0.1}, + 'heatmap_default': {'min': yminmax['heatmap'][0], 'max': yminmax['heatmap'][1], 'value': [yminmax['heatmap'][0], yminmax['heatmap'][1]], 'step': 0.1} } } @@ -326,7 +336,7 @@ def plot_diffractogram_interactive(data, options): heatmap=widgets.ToggleButton(value=options['heatmap']), 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'], - ylim=widgets.FloatRangeSlider(value=[ymin_start, ymax_start], min=ymin, max=ymax, step=0.5, layout=widgets.Layout(width='95%')), + ylim=options['widgets']['ylim']['w'], 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) ) @@ -341,61 +351,122 @@ def plot_diffractogram_interactive(data, options): display(w) -def update_minmax(minmax, data, options={}): +def update_xminmax(xminmax, data, options={}): ''' Finds minimum and maximum values of each column and updates the minmax dictionary to contain the correct values. Input: minmax (dict): contains ''' for index, diffractogram in enumerate(data['diffractogram']): - if not minmax['2th'][0] or diffractogram['2th'].min() < minmax['2th'][0]: - minmax['2th'][0] = diffractogram['2th'].min() + if not xminmax['2th'][0] or diffractogram['2th'].min() < xminmax['2th'][0]: + xminmax['2th'][0] = diffractogram['2th'].min() min_index = index - if not minmax['2th'][1] or diffractogram['2th'].max() > minmax['2th'][1]: - minmax['2th'][1] = diffractogram['2th'].max() + if not xminmax['2th'][1] or diffractogram['2th'].max() > xminmax['2th'][1]: + xminmax['2th'][1] = diffractogram['2th'].max() max_index = index - minmax['2th_cuka'][0], minmax['2th_cuka'][1] = data['diffractogram'][min_index]['2th_cuka'].min(), data['diffractogram'][max_index]['2th_cuka'].max() - minmax['2th_moka'][0], minmax['2th_moka'][1] = data['diffractogram'][min_index]['2th_moka'].min(), data['diffractogram'][max_index]['2th_moka'].max() - minmax['d'][0], minmax['d'][1] = data['diffractogram'][max_index]['d'].min(), data['diffractogram'][min_index]['d'].max() # swapped, intended - minmax['1/d'][0], minmax['1/d'][1] = data['diffractogram'][min_index]['1/d'].min(), data['diffractogram'][max_index]['1/d'].max() - minmax['q'][0], minmax['q'][1] = data['diffractogram'][min_index]['q'].min(), data['diffractogram'][max_index]['q'].max() - minmax['q2'][0], minmax['q2'][1] = data['diffractogram'][min_index]['q2'].min(), data['diffractogram'][max_index]['q2'].max() - minmax['q4'][0], minmax['q4'][1] = data['diffractogram'][min_index]['q4'].min(), data['diffractogram'][max_index]['q4'].max() - minmax['heatmap'] = options['heatmap_xlim'] + xminmax['2th_cuka'][0], xminmax['2th_cuka'][1] = data['diffractogram'][min_index]['2th_cuka'].min(), data['diffractogram'][max_index]['2th_cuka'].max() + xminmax['2th_moka'][0], xminmax['2th_moka'][1] = data['diffractogram'][min_index]['2th_moka'].min(), data['diffractogram'][max_index]['2th_moka'].max() + xminmax['d'][0], xminmax['d'][1] = data['diffractogram'][max_index]['d'].min(), data['diffractogram'][min_index]['d'].max() # swapped, intended + xminmax['1/d'][0], xminmax['1/d'][1] = data['diffractogram'][min_index]['1/d'].min(), data['diffractogram'][max_index]['1/d'].max() + xminmax['q'][0], xminmax['q'][1] = data['diffractogram'][min_index]['q'].min(), data['diffractogram'][max_index]['q'].max() + xminmax['q2'][0], xminmax['q2'][1] = data['diffractogram'][min_index]['q2'].min(), data['diffractogram'][max_index]['q2'].max() + xminmax['q4'][0], xminmax['q4'][1] = data['diffractogram'][min_index]['q4'].min(), data['diffractogram'][max_index]['q4'].max() + xminmax['heatmap'] = options['heatmap_xlim'] + + + xminmax['start'][0], xminmax['start'][1] = xminmax[options['x_vals']][0], xminmax[options['x_vals']][1] + xminmax['start'][2], xminmax['start'][3] = xminmax[options['x_vals']][0], xminmax[options['x_vals']][1] + + +def update_yminmax(yminmax: dict, data, options={}): + + for index, diffractogram in enumerate(data['diffractogram']): + if not yminmax['diff'][0] or (yminmax['diff'][0] > (diffractogram['I'].min())): + yminmax['diff'][0] = diffractogram['I'].min() + + if not yminmax['diff'][1] or (yminmax['diff'][1] < (diffractogram['I'].max())): + yminmax['diff'][1] = diffractogram['I'].max() + + + # Set start values of ymin and ymax to be slightly below lowest data points and slightly above highest data points to give some whitespace around the plot + yminmax['diff'][2] = yminmax['diff'][0] - 0.1*yminmax['diff'][1] + yminmax['diff'][3] = yminmax['diff'][1] + 0.2*yminmax['diff'][1] + + # Allow for adjustment up to five times ymax above and below data + yminmax['diff'][0] = yminmax['diff'][0] - 5*yminmax['diff'][1] + yminmax['diff'][1] = yminmax['diff'][1]*5 + + + yminmax['heatmap'][0] = 0 + yminmax['heatmap'][1] = data['heatmap'].shape[0] + + + if options['heatmap']: + yminmax['start'][0], yminmax['start'][1] = yminmax['heatmap'][0], yminmax['heatmap'][1] + yminmax['start'][2], yminmax['start'][3] = yminmax['heatmap'][0], yminmax['heatmap'][1] + + else: + # The third and fourth index are different here to not be zoomed completely out to begin with. + yminmax['start'][0], yminmax['start'][1] = yminmax['diff'][0], yminmax['diff'][1] + yminmax['start'][2], yminmax['start'][3] = yminmax['diff'][2], yminmax['diff'][3] + def update_widgets(options): - for widget in options['widgets'].values(): + for widget, attr in options['widgets'].items(): - if options['heatmap'] and (widget['state'] != 'heatmap'): - setattr(widget['w'], 'min', widget['heatmap_default']['min']) - setattr(widget['w'], 'max', widget['heatmap_default']['max']) - setattr(widget['w'], 'value', widget['heatmap_default']['value']) - setattr(widget['w'], 'step', widget['heatmap_default']['step']) + if widget == 'xlim': + + if options['heatmap'] and (attr['state'] != 'heatmap'): + setattr(attr['w'], 'min', attr['heatmap_default']['min']) + setattr(attr['w'], 'max', attr['heatmap_default']['max']) + setattr(attr['w'], 'value', attr['heatmap_default']['value']) + setattr(attr['w'], 'step', attr['heatmap_default']['step']) + + attr['state'] = 'heatmap' + + elif not options['heatmap'] and (attr['state'] != options['x_vals']): + for arg in attr[f'{options["x_vals"]}_default']: + + # If new min value is larger than previous max, or new max value is smaller than previous min, set the opposite first + if arg == 'min': + if attr[f'{options["x_vals"]}_default']['min'] > getattr(attr['w'], 'max'): + setattr(attr['w'], 'max', attr[f'{options["x_vals"]}_default']['max']) + + elif arg == 'max': + if attr[f'{options["x_vals"]}_default']['max'] < getattr(attr['w'], 'min'): + setattr(attr['w'], 'min', attr[f'{options["x_vals"]}_default']['min']) - widget['state'] = 'heatmap' - - elif not options['heatmap'] and (widget['state'] != options['x_vals']): - for arg in widget[f'{options["x_vals"]}_default']: - # If new min value is larger than previous max, or new max value is smaller than previous min, set the opposite first - if arg == 'min': - if widget[f'{options["x_vals"]}_default']['min'] > getattr(widget['w'], 'max'): - setattr(widget['w'], 'max', widget[f'{options["x_vals"]}_default']['max']) + setattr(attr['w'], arg, attr[f'{options["x_vals"]}_default'][arg]) - elif arg == 'max': - if widget[f'{options["x_vals"]}_default']['max'] < getattr(widget['w'], 'min'): - setattr(widget['w'], 'min', widget[f'{options["x_vals"]}_default']['min']) + + attr['state'] = options['x_vals'] + + elif widget == 'ylim': + state = 'heatmap' if options['heatmap'] else 'diff' + + if attr['state'] != state: + + for arg in attr[f'{state}_default']: + # If new min value is larger than previous max, or new max value is smaller than previous min, set the opposite first + if arg == 'min': + if attr[f'{state}_default']['min'] > getattr(attr['w'], 'max'): + setattr(attr['w'], 'max', attr[f'{state}_default']['max']) + + elif arg == 'max': + if attr[f'{state}_default']['max'] < getattr(attr['w'], 'min'): + setattr(attr['w'], 'min', attr[f'{state}_default']['min']) + + + setattr(attr['w'], arg, attr[f'{state}_default'][arg]) + + attr['state'] = state - - setattr(widget['w'], arg, widget[f'{options["x_vals"]}_default'][arg]) - - - widget['state'] = options['x_vals']