pyzebra/pyzebra/app/panel_ccl_integrate.py

623 lines
21 KiB
Python

import base64
import io
import os
import tempfile
import types
import numpy as np
from bokeh.io import curdoc
from bokeh.layouts import column, row
from bokeh.models import (
BasicTicker,
Button,
CheckboxEditor,
CheckboxGroup,
ColumnDataSource,
CustomJS,
DataRange1d,
DataTable,
Div,
Dropdown,
FileInput,
Grid,
Legend,
Line,
LinearAxis,
MultiLine,
MultiSelect,
NumberEditor,
Panel,
PanTool,
Plot,
RadioGroup,
ResetTool,
Scatter,
Select,
Spacer,
Span,
Spinner,
TableColumn,
TextAreaInput,
TextInput,
WheelZoomTool,
Whisker,
)
import pyzebra
from pyzebra.ccl_io import EXPORT_TARGETS
from pyzebra.ccl_process import AREA_METHODS
javaScript = """
let j = 0;
for (let i = 0; i < js_data.data['fname'].length; i++) {
if (js_data.data['content'][i] === "") continue;
setTimeout(function() {
const blob = new Blob([js_data.data['content'][i]], {type: 'text/plain'})
const link = document.createElement('a');
document.body.appendChild(link);
const url = window.URL.createObjectURL(blob);
link.href = url;
link.download = js_data.data['fname'][i] + js_data.data['ext'][i];
link.click();
window.URL.revokeObjectURL(url);
document.body.removeChild(link);
}, 100 * j)
j++;
}
"""
def create():
doc = curdoc()
det_data = {}
fit_params = {}
js_data = ColumnDataSource(data=dict(content=["", ""], fname=["", ""], ext=["", ""]))
def file_select_update_for_proposal():
proposal = proposal_textinput.value.strip()
if not proposal:
file_select.options = []
file_open_button.disabled = True
file_append_button.disabled = True
return
for zebra_proposals_path in pyzebra.ZEBRA_PROPOSALS_PATHS:
proposal_path = os.path.join(zebra_proposals_path, proposal)
if os.path.isdir(proposal_path):
# found it
break
else:
raise ValueError(f"Can not find data for proposal '{proposal}'.")
file_list = []
for file in os.listdir(proposal_path):
if file.endswith((".ccl", ".dat")):
file_list.append((os.path.join(proposal_path, file), file))
file_select.options = file_list
file_open_button.disabled = False
file_append_button.disabled = False
doc.add_periodic_callback(file_select_update_for_proposal, 5000)
def proposal_textinput_callback(_attr, _old, _new):
file_select_update_for_proposal()
proposal_textinput = TextInput(title="Proposal number:", width=210)
proposal_textinput.on_change("value", proposal_textinput_callback)
def _init_datatable():
scan_list = [s["idx"] for s in det_data]
hkl = [f'{s["h"]} {s["k"]} {s["l"]}' for s in det_data]
export = [s.get("active", True) for s in det_data]
scan_table_source.data.update(
scan=scan_list, hkl=hkl, fit=[0] * len(scan_list), export=export,
)
scan_table_source.selected.indices = []
scan_table_source.selected.indices = [0]
merge_options = [(str(i), f"{i} ({idx})") for i, idx in enumerate(scan_list)]
merge_from_select.options = merge_options
merge_from_select.value = merge_options[0][0]
file_select = MultiSelect(title="Available .ccl/.dat files:", width=210, height=250)
def file_open_button_callback():
nonlocal det_data
det_data = []
for f_name in file_select.value:
with open(f_name) as file:
base, ext = os.path.splitext(f_name)
if det_data:
append_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(append_data, monitor_spinner.value)
pyzebra.merge_datasets(det_data, append_data)
else:
det_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(det_data, monitor_spinner.value)
pyzebra.merge_duplicates(det_data)
js_data.data.update(fname=[base, base])
_init_datatable()
append_upload_button.disabled = False
file_open_button = Button(label="Open New", width=100, disabled=True)
file_open_button.on_click(file_open_button_callback)
def file_append_button_callback():
for f_name in file_select.value:
with open(f_name) as file:
_, ext = os.path.splitext(f_name)
append_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(append_data, monitor_spinner.value)
pyzebra.merge_datasets(det_data, append_data)
_init_datatable()
file_append_button = Button(label="Append", width=100, disabled=True)
file_append_button.on_click(file_append_button_callback)
def upload_button_callback(_attr, _old, new):
nonlocal det_data
det_data = []
proposal_textinput.value = ""
for f_str, f_name in zip(new, upload_button.filename):
with io.StringIO(base64.b64decode(f_str).decode()) as file:
base, ext = os.path.splitext(f_name)
if det_data:
append_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(append_data, monitor_spinner.value)
pyzebra.merge_datasets(det_data, append_data)
else:
det_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(det_data, monitor_spinner.value)
pyzebra.merge_duplicates(det_data)
js_data.data.update(fname=[base, base])
_init_datatable()
append_upload_button.disabled = False
upload_div = Div(text="or upload new .ccl/.dat files:", margin=(5, 5, 0, 5))
upload_button = FileInput(accept=".ccl,.dat", multiple=True, width=200)
upload_button.on_change("value", upload_button_callback)
def append_upload_button_callback(_attr, _old, new):
for f_str, f_name in zip(new, append_upload_button.filename):
with io.StringIO(base64.b64decode(f_str).decode()) as file:
_, ext = os.path.splitext(f_name)
append_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(append_data, monitor_spinner.value)
pyzebra.merge_datasets(det_data, append_data)
_init_datatable()
append_upload_div = Div(text="append extra files:", margin=(5, 5, 0, 5))
append_upload_button = FileInput(accept=".ccl,.dat", multiple=True, width=200, disabled=True)
append_upload_button.on_change("value", append_upload_button_callback)
def monitor_spinner_callback(_attr, old, new):
if det_data:
pyzebra.normalize_dataset(det_data, new)
_update_plot(_get_selected_scan())
monitor_spinner = Spinner(title="Monitor:", mode="int", value=100_000, low=1, width=145)
monitor_spinner.on_change("value", monitor_spinner_callback)
def _update_table():
fit_ok = [(1 if "fit" in scan else 0) for scan in det_data]
scan_table_source.data.update(fit=fit_ok)
def _update_plot(scan):
scan_motor = scan["scan_motor"]
y = scan["counts"]
x = scan[scan_motor]
plot.axis[0].axis_label = scan_motor
plot_scatter_source.data.update(x=x, y=y, y_upper=y + np.sqrt(y), y_lower=y - np.sqrt(y))
fit = scan.get("fit")
if fit is not None:
x_fit = np.linspace(x[0], x[-1], 100)
plot_fit_source.data.update(x=x_fit, y=fit.eval(x=x_fit))
x_bkg = []
y_bkg = []
xs_peak = []
ys_peak = []
comps = fit.eval_components(x=x_fit)
for i, model in enumerate(fit_params):
if "linear" in model:
x_bkg = x_fit
y_bkg = comps[f"f{i}_"]
elif any(val in model for val in ("gaussian", "voigt", "pvoigt")):
xs_peak.append(x_fit)
ys_peak.append(comps[f"f{i}_"])
plot_bkg_source.data.update(x=x_bkg, y=y_bkg)
plot_peak_source.data.update(xs=xs_peak, ys=ys_peak)
fit_output_textinput.value = fit.fit_report()
else:
plot_fit_source.data.update(x=[], y=[])
plot_bkg_source.data.update(x=[], y=[])
plot_peak_source.data.update(xs=[], ys=[])
fit_output_textinput.value = ""
# Main plot
plot = Plot(
x_range=DataRange1d(),
y_range=DataRange1d(only_visible=True),
plot_height=470,
plot_width=700,
)
plot.add_layout(LinearAxis(axis_label="Counts"), place="left")
plot.add_layout(LinearAxis(axis_label="Scan motor"), place="below")
plot.add_layout(Grid(dimension=0, ticker=BasicTicker()))
plot.add_layout(Grid(dimension=1, ticker=BasicTicker()))
plot_scatter_source = ColumnDataSource(dict(x=[0], y=[0], y_upper=[0], y_lower=[0]))
plot_scatter = plot.add_glyph(
plot_scatter_source, Scatter(x="x", y="y", line_color="steelblue")
)
plot.add_layout(Whisker(source=plot_scatter_source, base="x", upper="y_upper", lower="y_lower"))
plot_fit_source = ColumnDataSource(dict(x=[0], y=[0]))
plot_fit = plot.add_glyph(plot_fit_source, Line(x="x", y="y"))
plot_bkg_source = ColumnDataSource(dict(x=[0], y=[0]))
plot_bkg = plot.add_glyph(
plot_bkg_source, Line(x="x", y="y", line_color="green", line_dash="dashed")
)
plot_peak_source = ColumnDataSource(dict(xs=[[0]], ys=[[0]]))
plot_peak = plot.add_glyph(
plot_peak_source, MultiLine(xs="xs", ys="ys", line_color="red", line_dash="dashed")
)
fit_from_span = Span(location=None, dimension="height", line_dash="dashed")
plot.add_layout(fit_from_span)
fit_to_span = Span(location=None, dimension="height", line_dash="dashed")
plot.add_layout(fit_to_span)
plot.add_layout(
Legend(
items=[
("data", [plot_scatter]),
("best fit", [plot_fit]),
("peak", [plot_peak]),
("linear", [plot_bkg]),
],
location="top_left",
click_policy="hide",
)
)
plot.add_tools(PanTool(), WheelZoomTool(), ResetTool())
plot.toolbar.logo = None
# Scan select
def scan_table_select_callback(_attr, old, new):
if not new:
# skip empty selections
return
# Avoid selection of multiple indicies (via Shift+Click or Ctrl+Click)
if len(new) > 1:
# drop selection to the previous one
scan_table_source.selected.indices = old
return
if len(old) > 1:
# skip unnecessary update caused by selection drop
return
_update_plot(det_data[new[0]])
def scan_table_source_callback(_attr, _old, _new):
_update_preview()
scan_table_source = ColumnDataSource(dict(scan=[], hkl=[], fit=[], export=[]))
scan_table_source.on_change("data", scan_table_source_callback)
scan_table = DataTable(
source=scan_table_source,
columns=[
TableColumn(field="scan", title="Scan", width=50),
TableColumn(field="hkl", title="hkl", width=100),
TableColumn(field="fit", title="Fit", width=50),
TableColumn(field="export", title="Export", editor=CheckboxEditor(), width=50),
],
width=310, # +60 because of the index column
height=350,
autosize_mode="none",
editable=True,
)
scan_table_source.selected.on_change("indices", scan_table_select_callback)
def _get_selected_scan():
return det_data[scan_table_source.selected.indices[0]]
merge_from_select = Select(title="scan:", width=145)
def merge_button_callback():
scan_into = _get_selected_scan()
scan_from = det_data[int(merge_from_select.value)]
if scan_into is scan_from:
print("WARNING: Selected scans for merging are identical")
return
pyzebra.merge_scans(scan_into, scan_from)
_update_plot(_get_selected_scan())
merge_button = Button(label="Merge into current", width=145)
merge_button.on_click(merge_button_callback)
def restore_button_callback():
pyzebra.restore_scan(_get_selected_scan())
_update_plot(_get_selected_scan())
restore_button = Button(label="Restore scan", width=145)
restore_button.on_click(restore_button_callback)
def fit_from_spinner_callback(_attr, _old, new):
fit_from_span.location = new
fit_from_spinner = Spinner(title="Fit from:", width=145)
fit_from_spinner.on_change("value", fit_from_spinner_callback)
def fit_to_spinner_callback(_attr, _old, new):
fit_to_span.location = new
fit_to_spinner = Spinner(title="to:", width=145)
fit_to_spinner.on_change("value", fit_to_spinner_callback)
def fitparams_add_dropdown_callback(click):
# bokeh requires (str, str) for MultiSelect options
new_tag = f"{click.item}-{fitparams_select.tags[0]}"
fitparams_select.options.append((new_tag, click.item))
fit_params[new_tag] = fitparams_factory(click.item)
fitparams_select.tags[0] += 1
fitparams_add_dropdown = Dropdown(
label="Add fit function",
menu=[
("Linear", "linear"),
("Gaussian", "gaussian"),
("Voigt", "voigt"),
("Pseudo Voigt", "pvoigt"),
# ("Pseudo Voigt1", "pseudovoigt1"),
],
width=145,
)
fitparams_add_dropdown.on_click(fitparams_add_dropdown_callback)
def fitparams_select_callback(_attr, old, new):
# Avoid selection of multiple indicies (via Shift+Click or Ctrl+Click)
if len(new) > 1:
# drop selection to the previous one
fitparams_select.value = old
return
if len(old) > 1:
# skip unnecessary update caused by selection drop
return
if new:
fitparams_table_source.data.update(fit_params[new[0]])
else:
fitparams_table_source.data.update(dict(param=[], value=[], vary=[], min=[], max=[]))
fitparams_select = MultiSelect(options=[], height=120, width=145)
fitparams_select.tags = [0]
fitparams_select.on_change("value", fitparams_select_callback)
def fitparams_remove_button_callback():
if fitparams_select.value:
sel_tag = fitparams_select.value[0]
del fit_params[sel_tag]
for elem in fitparams_select.options:
if elem[0] == sel_tag:
fitparams_select.options.remove(elem)
break
fitparams_select.value = []
fitparams_remove_button = Button(label="Remove fit function", width=145)
fitparams_remove_button.on_click(fitparams_remove_button_callback)
def fitparams_factory(function):
if function == "linear":
params = ["slope", "intercept"]
elif function == "gaussian":
params = ["amplitude", "center", "sigma"]
elif function == "voigt":
params = ["amplitude", "center", "sigma", "gamma"]
elif function == "pvoigt":
params = ["amplitude", "center", "sigma", "fraction"]
elif function == "pseudovoigt1":
params = ["amplitude", "center", "g_sigma", "l_sigma", "fraction"]
else:
raise ValueError("Unknown fit function")
n = len(params)
fitparams = dict(
param=params, value=[None] * n, vary=[True] * n, min=[None] * n, max=[None] * n,
)
if function == "linear":
fitparams["value"] = [0, 1]
fitparams["vary"] = [False, True]
fitparams["min"] = [None, 0]
elif function == "gaussian":
fitparams["min"] = [0, None, None]
return fitparams
fitparams_table_source = ColumnDataSource(dict(param=[], value=[], vary=[], min=[], max=[]))
fitparams_table = DataTable(
source=fitparams_table_source,
columns=[
TableColumn(field="param", title="Parameter"),
TableColumn(field="value", title="Value", editor=NumberEditor()),
TableColumn(field="vary", title="Vary", editor=CheckboxEditor()),
TableColumn(field="min", title="Min", editor=NumberEditor()),
TableColumn(field="max", title="Max", editor=NumberEditor()),
],
height=200,
width=350,
index_position=None,
editable=True,
auto_edit=True,
)
# start with `background` and `gauss` fit functions added
fitparams_add_dropdown_callback(types.SimpleNamespace(item="linear"))
fitparams_add_dropdown_callback(types.SimpleNamespace(item="gaussian"))
fitparams_select.value = ["gaussian-1"] # add selection to gauss
fit_output_textinput = TextAreaInput(title="Fit results:", width=750, height=200)
def proc_all_button_callback():
for scan, export in zip(det_data, scan_table_source.data["export"]):
if export:
pyzebra.fit_scan(
scan, fit_params, fit_from=fit_from_spinner.value, fit_to=fit_to_spinner.value
)
pyzebra.get_area(
scan,
area_method=AREA_METHODS[area_method_radiobutton.active],
lorentz=lorentz_checkbox.active,
)
_update_plot(_get_selected_scan())
_update_table()
proc_all_button = Button(label="Process All", button_type="primary", width=145)
proc_all_button.on_click(proc_all_button_callback)
def proc_button_callback():
scan = _get_selected_scan()
pyzebra.fit_scan(
scan, fit_params, fit_from=fit_from_spinner.value, fit_to=fit_to_spinner.value
)
pyzebra.get_area(
scan,
area_method=AREA_METHODS[area_method_radiobutton.active],
lorentz=lorentz_checkbox.active,
)
_update_plot(scan)
_update_table()
proc_button = Button(label="Process Current", width=145)
proc_button.on_click(proc_button_callback)
area_method_div = Div(text="Intensity:", margin=(5, 5, 0, 5))
area_method_radiobutton = RadioGroup(labels=["Function", "Area"], active=0, width=145)
lorentz_checkbox = CheckboxGroup(labels=["Lorentz Correction"], width=145, margin=(13, 5, 5, 5))
export_preview_textinput = TextAreaInput(title="Export file(s) preview:", width=500, height=400)
def _update_preview():
with tempfile.TemporaryDirectory() as temp_dir:
temp_file = temp_dir + "/temp"
export_data = []
for s, export in zip(det_data, scan_table_source.data["export"]):
if export:
export_data.append(s)
pyzebra.export_1D(
export_data,
temp_file,
export_target_select.value,
hkl_precision=int(hkl_precision_select.value),
)
exported_content = ""
file_content = []
for ext in EXPORT_TARGETS[export_target_select.value]:
fname = temp_file + ext
if os.path.isfile(fname):
with open(fname) as f:
content = f.read()
exported_content += f"{ext} file:\n" + content
else:
content = ""
file_content.append(content)
js_data.data.update(content=file_content)
export_preview_textinput.value = exported_content
def export_target_select_callback(_attr, _old, new):
js_data.data.update(ext=EXPORT_TARGETS[new])
_update_preview()
export_target_select = Select(
title="Export target:", options=list(EXPORT_TARGETS.keys()), value="fullprof", width=80
)
export_target_select.on_change("value", export_target_select_callback)
js_data.data.update(ext=EXPORT_TARGETS[export_target_select.value])
def hkl_precision_select_callback(_attr, _old, _new):
_update_preview()
hkl_precision_select = Select(
title="hkl precision:", options=["2", "3", "4"], value="2", width=80
)
hkl_precision_select.on_change("value", hkl_precision_select_callback)
save_button = Button(label="Download File(s)", button_type="success", width=200)
save_button.js_on_click(CustomJS(args={"js_data": js_data}, code=javaScript))
fitpeak_controls = row(
column(fitparams_add_dropdown, fitparams_select, fitparams_remove_button),
fitparams_table,
Spacer(width=20),
column(fit_from_spinner, lorentz_checkbox, area_method_div, area_method_radiobutton),
column(fit_to_spinner, proc_button, proc_all_button),
)
scan_layout = column(
scan_table,
row(monitor_spinner, column(Spacer(height=19), restore_button)),
row(column(Spacer(height=19), merge_button), merge_from_select),
)
import_layout = column(
proposal_textinput,
file_select,
row(file_open_button, file_append_button),
upload_div,
upload_button,
append_upload_div,
append_upload_button,
)
export_layout = column(
export_preview_textinput,
row(
export_target_select, hkl_precision_select, column(Spacer(height=19), row(save_button))
),
)
tab_layout = column(
row(import_layout, scan_layout, plot, Spacer(width=30), export_layout),
row(fitpeak_controls, fit_output_textinput),
)
return Panel(child=tab_layout, title="ccl integrate")