From 876e0f8d3d2759a762dbaf58c317e41fbf50c4bc Mon Sep 17 00:00:00 2001 From: rasmusvt Date: Tue, 5 Apr 2022 16:12:19 +0200 Subject: [PATCH] Allow rescaling ylim with interactive diff plot --- beamtime/xrd/io.py | 11 ++- beamtime/xrd/plot.py | 161 ++++++++++++++++++++++++++++++------------- 2 files changed, 122 insertions(+), 50 deletions(-) diff --git a/beamtime/xrd/io.py b/beamtime/xrd/io.py index 729b674..910811b 100644 --- a/beamtime/xrd/io.py +++ b/beamtime/xrd/io.py @@ -358,9 +358,18 @@ def read_data(data, options={}, index=0): def apply_offset(diffractogram, wavelength, index, options): - options['current_offset_y'] = options['offset_y'] + if 'current_offset_y' not in options.keys(): + options['current_offset_y'] = options['offset_y'] + else: + if options['current_offset_y'] != options['offset_y']: + options['offset_change'] = True + + options['current_offset_y'] = options['offset_y'] + options['current_offset_x'] = options['offset_x'] + + #Apply offset along y-axis diffractogram['I'] = diffractogram['I_org'] # Reset intensities diff --git a/beamtime/xrd/plot.py b/beamtime/xrd/plot.py index c97dabe..9012b4a 100644 --- a/beamtime/xrd/plot.py +++ b/beamtime/xrd/plot.py @@ -20,7 +20,7 @@ def plot_diffractogram(data, options={}): data (dict): Must include path = string to diffractogram data, and plot_kind = (recx, beamline, image)''' # Update options - required_options = ['x_vals', 'y_vals', 'ylabel', 'xlabel', 'xunit', 'yunit', 'line', 'scatter', 'xlim', 'ylim', 'normalise', 'offset', 'offset_x', 'offset_y', + required_options = ['x_vals', 'y_vals', 'ylabel', 'xlabel', 'xunit', 'yunit', 'line', 'scatter', 'xlim', 'ylim', 'normalise', 'offset', 'offset_x', 'offset_y', 'offset_change', 'reflections_plot', 'reflections_indices', 'reflections_data', 'heatmap', 'cmap', 'plot_kind', 'palettes', 'interactive', 'rc_params', 'format_params', 'interactive_session_active'] default_options = { @@ -33,6 +33,7 @@ def plot_diffractogram(data, options={}): 'offset': True, 'offset_x': 0, 'offset_y': 1, + 'offset_change': False, 'line': True, # whether or not to plot diffractogram as a line plot 'scatter': False, # whether or not to plot individual data points 'reflections_plot': False, # whether to plot reflections as a plot @@ -53,6 +54,7 @@ def plot_diffractogram(data, options={}): default_options['offset_y'] = 0.05 options = aux.update_options(options=options, required_options=required_options, default_options=default_options) + options['current_offset_y'] = options['offset_y'] # Convert data['path'] to list to allow iteration over this to accommodate both single and multiple diffractograms if not isinstance(data['path'], list): @@ -174,7 +176,8 @@ def plot_diffractogram(data, options={}): if options['interactive_session_active']: - update_widgets(options=options) + options['current_y_offset'] = options['widget'].kwargs['offset_y'] + update_widgets(data=data, options=options) @@ -213,7 +216,7 @@ def generate_heatmap(data, options={}): ndatapoints = len(data['diffractogram'][0]['2th']) - xlims = [0, ndatapoints] + xlims = [0, ndatapoints, 0, ndatapoints] # 0: xmin, 1: xmax, 2: xmin_start, 3: xmax_start xticks = {} xticklabels = {} @@ -279,13 +282,18 @@ def determine_grid_layout(options): def plot_diffractogram_interactive(data, options): - 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]} + # Format here is xminmax[0]: xmin, xminmax[1]: xmax, xminmax[2]: xmin_start, xminmax[3]: xmax_start, where "_start" denotes starting value of the slider + xminmax = { '2th': [None, None, None, None], '2th_cuka': [None, None, None, None], '2th_moka': [None, None, None, None], + 'd': [None, None, None, None], '1/d': [None, None, None, None], + 'q': [None, None, None, None], 'q2': [None, None, None, None], 'q4': [None, None, None, None], + 'heatmap': [None, None, None, None], 'start': [None, None, None, None]} + + yminmax = { 'diff': [None, None, None, None], 'heatmap': [None, None, None, None], 'start': [None, None, None, None]} update_xminmax(xminmax=xminmax, data=data, options=options) update_yminmax(yminmax=yminmax, data=data, options=options) - + options['xminmax'], options['yminmax'] = xminmax, yminmax # 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']: @@ -337,8 +345,8 @@ 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'), xlim=options['widgets']['xlim']['w'], 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) + offset_y=widgets.BoundedFloatText(value=options['offset_y'], min=-5, max=5, step=0.01, description='offset_y'), + offset_x=widgets.BoundedFloatText(value=options['offset_x'], min=-1, max=1, step=0.01, description='offset_x') ) else: @@ -348,6 +356,8 @@ def plot_diffractogram_interactive(data, options): xlim=options['widgets']['xlim']['w']) + options['widget'] = w + display(w) @@ -357,7 +367,9 @@ def update_xminmax(xminmax, data, options={}): Input: minmax (dict): contains ''' + xminmax['2th'] = [None, None, None, None] for index, diffractogram in enumerate(data['diffractogram']): + if not xminmax['2th'][0] or diffractogram['2th'].min() < xminmax['2th'][0]: xminmax['2th'][0] = diffractogram['2th'].min() min_index = index @@ -366,23 +378,43 @@ def update_xminmax(xminmax, data, options={}): xminmax['2th'][1] = diffractogram['2th'].max() max_index = index - 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['2th'][2], xminmax['2th'][3] = xminmax['2th'][0], xminmax['2th'][1] + + xminmax['2th_cuka'][0], xminmax['2th_cuka'][1] = data['diffractogram'][min_index]['2th_cuka'].min(), data['diffractogram'][max_index]['2th_cuka'].max() + xminmax['2th_cuka'][2], xminmax['2th_cuka'][3] = xminmax['2th_cuka'][0], xminmax['2th_cuka'][1] + + xminmax['2th_moka'][0], xminmax['2th_moka'][1] = data['diffractogram'][min_index]['2th_moka'].min(), data['diffractogram'][max_index]['2th_moka'].max() + xminmax['2th_moka'][2], xminmax['2th_moka'][3] = xminmax['2th_moka'][0], xminmax['2th_moka'][1] + + xminmax['d'][0], xminmax['d'][1] = data['diffractogram'][max_index]['d'].min(), data['diffractogram'][min_index]['d'].max() # swapped, intended + xminmax['d'][2], xminmax['d'][3] = xminmax['d'][0], xminmax['d'][1] + + xminmax['1/d'][0], xminmax['1/d'][1] = data['diffractogram'][min_index]['1/d'].min(), data['diffractogram'][max_index]['1/d'].max() + xminmax['1/d'][2], xminmax['1/d'][3] = xminmax['1/d'][0], xminmax['1/d'][1] + + xminmax['q'][0], xminmax['q'][1] = data['diffractogram'][min_index]['q'].min(), data['diffractogram'][max_index]['q'].max() + xminmax['q'][2], xminmax['q'][3] = xminmax['q'][0], xminmax['q'][1] + + xminmax['q2'][0], xminmax['q2'][1] = data['diffractogram'][min_index]['q2'].min(), data['diffractogram'][max_index]['q2'].max() + xminmax['q2'][2], xminmax['q2'][3] = xminmax['q2'][0], xminmax['q2'][1] + + xminmax['q4'][0], xminmax['q4'][1] = data['diffractogram'][min_index]['q4'].min(), data['diffractogram'][max_index]['q4'].max() + xminmax['q4'][2], xminmax['q4'][3] = xminmax['q4'][0], xminmax['q4'][1] + + + xminmax['heatmap'] = options['heatmap_xlim'] # This value is set in the generate_heatmap()-function 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] + xminmax['start'][2], xminmax['start'][3] = xminmax[options['x_vals']][2], xminmax[options['x_vals']][3] -def update_yminmax(yminmax: dict, data, options={}): +def update_yminmax(yminmax: dict, data: dict, options={}) -> None: - for index, diffractogram in enumerate(data['diffractogram']): + yminmax['diff'] = [None, None, None, None] + # Go through diffractograms and find the minimum and maximum intensity values + for diffractogram in data['diffractogram']: if not yminmax['diff'][0] or (yminmax['diff'][0] > (diffractogram['I'].min())): yminmax['diff'][0] = diffractogram['I'].min() @@ -399,8 +431,9 @@ def update_yminmax(yminmax: dict, data, options={}): yminmax['diff'][1] = yminmax['diff'][1]*5 - yminmax['heatmap'][0] = 0 - yminmax['heatmap'][1] = data['heatmap'].shape[0] + # Set start values to the edges of the dataset + yminmax['heatmap'][0], yminmax['heatmap'][1] = 0, data['heatmap'].shape[0] + yminmax['heatmap'][2], yminmax['heatmap'][3] = yminmax['heatmap'][0], yminmax['heatmap'][1] if options['heatmap']: @@ -413,59 +446,89 @@ def update_yminmax(yminmax: dict, data, options={}): yminmax['start'][2], yminmax['start'][3] = yminmax['diff'][2], yminmax['diff'][3] +def update_defaults(widget: dict, minmax: dict) -> None: + ''' Updates the default x- or y-limits of a given widget. Refer to plot_diffractogram_interactive() to see the form of the widget that is passed in. An update of the min/max-values is done just prior to calling this function. + Changes dictionaries in place. + + Input: + widget (dict): A dictionary containing the widget itself (widget['w']) and all its default-values (e.g. widget['2th_default']) + minmax (dict): A dictionary containing min and max values, as well as min_start and max_start values. (e.g. minmax['2th'] is a list with four elements: [xmin, xmax, xmin_start, xmax_start]) + + Output: + None.''' + + for name, attr in widget.items(): + if name.endswith('default'): + attr['min'] = minmax[name.replace('_default', '')][0] + attr['max'] = minmax[name.replace('_default', '')][1] + attr['value'] = [minmax[name.replace('_default', '')][2], minmax[name.replace('_default', '')][3]] -def update_widgets(options): +def update_widgets(data, options): - for widget, attr in options['widgets'].items(): - if widget == 'xlim': + for widget_name, widget in options['widgets'].items(): - 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']) + # Make changes to xlim-widget + if widget_name == 'xlim': + # First update the min and max values + update_xminmax(xminmax=options['xminmax'], data=data, options=options) + update_defaults(widget=widget, minmax=options['xminmax']) + - attr['state'] = 'heatmap' + 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']) + + widget['state'] = 'heatmap' - elif not options['heatmap'] and (attr['state'] != options['x_vals']): - for arg in attr[f'{options["x_vals"]}_default']: + elif not options['heatmap'] and (widget['state'] != options['x_vals']): + # Then loop through all attributes in the widget and change to current mode. + 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 attr[f'{options["x_vals"]}_default']['min'] > getattr(attr['w'], 'max'): - setattr(attr['w'], 'max', attr[f'{options["x_vals"]}_default']['max']) + if widget[f'{options["x_vals"]}_default']['min'] > getattr(widget['w'], 'max'): + setattr(widget['w'], 'max', widget[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']) + if widget[f'{options["x_vals"]}_default']['max'] < getattr(widget['w'], 'min'): + setattr(widget['w'], 'min', widget[f'{options["x_vals"]}_default']['min']) - setattr(attr['w'], arg, attr[f'{options["x_vals"]}_default'][arg]) + setattr(widget['w'], arg, widget[f'{options["x_vals"]}_default'][arg]) - attr['state'] = options['x_vals'] + widget['state'] = options['x_vals'] - elif widget == 'ylim': - state = 'heatmap' if options['heatmap'] else 'diff' + # Make changes to ylim-widget + elif widget_name == 'ylim': + update_yminmax(yminmax=options['yminmax'], data=data, options=options) + update_defaults(widget=widget, minmax=options['yminmax']) + + state = 'heatmap' if options['heatmap'] else 'diff' - if attr['state'] != state: + if widget['state'] != state or options['offset_change']: - for arg in attr[f'{state}_default']: + for arg in widget[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']) + if widget[f'{state}_default']['min'] > getattr(widget['w'], 'max'): + setattr(widget['w'], 'max', widget[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']) + if widget[f'{state}_default']['max'] < getattr(widget['w'], 'min'): + setattr(widget['w'], 'min', widget[f'{state}_default']['min']) - setattr(attr['w'], arg, attr[f'{state}_default'][arg]) - - attr['state'] = state + setattr(widget['w'], arg, widget[f'{state}_default'][arg]) + + options['offset_change'] = False + widget['state'] = state