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Copy pathFittingWidget.py
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4015 lines (3460 loc) · 162 KB
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import copy
import json
import logging
import os
import re
import traceback
from collections import defaultdict
from pathlib import Path
from typing import Any
import numpy as np
from PySide6 import QtCore, QtGui, QtWidgets
from twisted.internet import threads
from sasmodels import generate, modelinfo
from sasmodels.sasview_model import MODELS, MultiplicationModel, SasviewModel, load_standard_models
import sas.qtgui.Utilities.GuiUtils as GuiUtils
from sas import config
from sas.qtgui.Perspectives.Fitting import FittingUtilities
from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate
from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
from sas.qtgui.Perspectives.Fitting.ConstraintManager import ConstraintManager
from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
from sas.qtgui.Perspectives.Fitting.FittingController import FittingController
from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
from sas.qtgui.Perspectives.Fitting.FittingState import FittingState
from sas.qtgui.Perspectives.Fitting.MagnetismWidget import MagnetismWidget
from sas.qtgui.Perspectives.Fitting.ModelSelectorWidget import ModelSelectorWidget
from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D, Calc2D
from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
from sas.qtgui.Perspectives.Fitting.OrderWidget import OrderWidget
from sas.qtgui.Perspectives.Fitting.ParameterListWidget import ParameterListWidget
from sas.qtgui.Perspectives.Fitting.PolydispersityWidget import PolydispersityWidget
from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
from sas.qtgui.Perspectives.Fitting.UndoRedo import (
CheckboxToggleCommand,
FitOptionsCommand,
FitResultCommand,
ModelSelectionCommand,
ParameterMinMaxCommand,
ParameterValueCommand,
SmearingOptionsCommand,
)
from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
from sas.qtgui.Perspectives.UndoRedo import UndoStack
from sas.qtgui.Plotting.Plotter import PlotterWidget
from sas.qtgui.Plotting.PlotterData import Data1D, Data2D, DataRole
from sas.qtgui.Utilities.BackgroundColor import BG_DEFAULT, BG_ERROR
from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
from sas.sascalc.fit import models
from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
from sas.system import HELP_SYSTEM
from sas.system.user import find_plugins_dir
TAB_MAGNETISM = 4
TAB_POLY = 3
TAB_ORDERING = 5
CATEGORY_DEFAULT = "Choose category..."
MODEL_DEFAULT = "Choose model..."
CATEGORY_STRUCTURE = "Structure Factor"
CATEGORY_CUSTOM = "Plugin Models"
STRUCTURE_DEFAULT = "None"
DEFAULT_POLYDISP_FUNCTION = 'gaussian'
# A list of models that are known to not work with how the GUI handles models from sasmodels
# NOTE: These models are correct when used directly through the sasmodels package, but how qtgui handles them is wrong
SUPPRESSED_MODELS = ['rpa']
# Layered models that have integer parameters are often treated differently. Maintain a list of these models.
LAYERED_MODELS = ['unified_power_Rg', 'core_multi_shell', 'onion', 'spherical_sld']
# CRUFT: remove when new release of sasmodels is available
# https://github.com/SasView/sasview/pull/181#discussion_r218135162
if not hasattr(SasviewModel, 'get_weights'):
def get_weights(self: Any, name: str) -> tuple[np.ndarray, np.ndarray]:
"""
Returns the polydispersity distribution for parameter *name* as *value* and *weight* arrays.
"""
_, x, w = self._get_weights(self._model_info.parameters[name])
return x, w
SasviewModel.get_weights = get_weights
logger = logging.getLogger(__name__)
polydispersity_plot_name = "{} {} polydispersity {}"
class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI):
"""
Main widget for selecting form and structure factor models
"""
constraintAddedSignal = QtCore.Signal(list, str)
newModelSignal = QtCore.Signal()
fittingFinishedSignal = QtCore.Signal(tuple)
batchFittingFinishedSignal = QtCore.Signal(tuple)
Calc1DFinishedSignal = QtCore.Signal(dict)
Calc2DFinishedSignal = QtCore.Signal(dict)
keyPressedSignal = QtCore.Signal(QtCore.QEvent)
MAGNETIC_MODELS = ['sphere', 'core_shell_sphere', 'core_multi_shell', 'cylinder', 'parallelepiped']
def __init__(self, parent: QtWidgets.QWidget | None = None, data: Any | None = None, tab_id: int = 1) -> None:
super(FittingWidget, self).__init__()
# Necessary globals
self.parent = parent
self.process = None # Default empty value
# Which tab is this widget displayed in?
self.tab_id = tab_id
# Globals
self.initializeGlobals()
# data index for the batch set
self.data_index = 0
# Main Data[12]D holders
# Logics.data contains a single Data1D/Data2D object
self._logic = [FittingLogic()]
# Fitting controller for business logic
self.fitting_controller = FittingController(self)
# Constraint manager for constraint handling
self.constraint_manager = ConstraintManager(self)
# Shared state object for tab widgets
self.fitting_state = FittingState(
on_fit_ready_changed=lambda can_fit: self.cmdFit.setEnabled(can_fit)
)
# Main GUI setup up
self.setupUi(self)
self.setWindowTitle("Fitting")
# Set up tabs widgets
self.initializeWidgets()
# Set up models and views
self.initializeModels()
# Initialize ParameterListWidget for main parameter list
self.param_list_widget = ParameterListWidget(
parent=self,
tree_view=self.lstParams,
model=self._model_model,
model_key="standard"
)
self.param_list_widget.setCallbacks(
rowHasConstraint=self.constraint_manager.rowHasConstraint,
rowHasActiveConstraint=self.constraint_manager.rowHasActiveConstraint,
isCheckable=self.isCheckable,
onAddSimpleConstraint=self.addSimpleConstraint,
onDeleteConstraint=self.deleteConstraint,
onEditConstraint=self.editConstraint,
onShowMultiConstraint=self.showMultiConstraint,
onSelectParameters=self.selectParameters,
onDeselectParameters=self.deselectParameters,
onShowModelDescription=self.showModelDescription
)
# Initialize ModelSelectorWidget for category/model/structure selection
self.model_selector = ModelSelectorWidget(
parent=self,
category_combo=self.cbCategory,
model_combo=self.cbModel,
structure_combo=self.cbStructureFactor
)
# Defaults for the structure factors
self.setDefaultStructureCombo()
# Make structure factor and model CBs disabled
self.disableModelCombo()
self.disableStructureCombo()
# Generate the category list for display
self.initializeCategoryCombo()
# Initial control state
self.initializeControls()
QtWidgets.QApplication.processEvents()
# Connect signals to controls
self.initializeSignals()
if data is not None:
self.dataFromItems(data)
# New font to display angstrom symbol
new_font = 'font-family: -apple-system, "Helvetica Neue", "Ubuntu";'
self.label_17.setStyleSheet(new_font)
self.label_19.setStyleSheet(new_font)
@property
def logic(self) -> FittingLogic:
# make sure the logic contains at least one element
assert self._logic
# logic connected to the currently shown data
return self._logic[self.data_index]
@property
def data(self) -> Data1D | Data2D:
return self.logic.data
def dataFromItems(self, value: QtGui.QStandardItem | list[QtGui.QStandardItem]) -> None:
""" data setter """
# Value is either a list of indices for batch fitting or a simple index
# for standard fitting. Assure we have a list, regardless.
if isinstance(value, list):
self.is_batch_fitting = True
else:
value = [value]
assert isinstance(value[0], QtGui.QStandardItem)
if hasattr(self, "undo_stack"):
self.undo_stack.clear()
# Keep reference to all datasets for batch
self.all_data = value
# Create logics with data items
# Logics.data contains only a single Data1D/Data2D object
if len(value) == 1:
# single data logic is already defined, update data on it
self._logic[0].data = GuiUtils.dataFromItem(value[0])
else:
# batch datasets
self._logic = []
for data_item in value:
logic = FittingLogic(data=GuiUtils.dataFromItem(data_item))
self._logic.append(logic)
# Option widget logic was destroyed - reestablish
self.options_widget.logic = self._logic[0]
# Ensure auxiliary widgets point at the new logic instance
self.polydispersity_widget.logic = self._logic[0]
self.magnetism_widget.logic = self._logic[0]
# update the ordering tab
self.order_widget.updateData(self.all_data)
# Overwrite data type descriptor
self.is2D = True if isinstance(self.logic.data, Data2D) else False
# Let others know we're full of data now
self.data_is_loaded = True
# Update FittingState
self.fitting_state.is2D = self.is2D
self.fitting_state.is_batch_fitting = self.is_batch_fitting
self.fitting_state.data_is_loaded = True
# Reset the smearer
self.smearing_widget.resetSmearer()
if self.data.isSesans:
self.onSesansData()
# Enable/disable UI components
self.setEnablementOnDataLoad()
# Reinitialize model list for constrained/simult fitting
self.newModelSignal.emit()
def initializeGlobals(self) -> None:
"""
Initialize global variables used in this class
"""
# SasModel is loaded
self.model_is_loaded = False
# Data[12]D passed and set
self.data_is_loaded = False
# Batch/single fitting
self.is_batch_fitting = False
self.is_chain_fitting = False
# Is the fit job running?
self.fit_started = False
# The current fit thread
self.calc_fit = None
# Current SasModel view dimension
self.is2D = False
# Current SasModel is multishell
self.model_has_shells = False
# Utility variable to enable unselectable option in category combobox
self._previous_category_index = 0
# Utility variables for multishell display
self._n_shells_row = -1
self._num_shell_params = -1
# Dictionary of {model name: model class} for the current category
self.models = {}
# Dictionary of QModels
self.model_dict = {}
self.lst_dict = {}
self.tabToList = {} # tab_id -> list widget
self.tabToKey = {} # tab_id -> model key
# Parameters to fit
self.main_params_to_fit = []
# Fit options
self.q_range_min = OptionsWidget.QMIN_DEFAULT
self.q_range_max = OptionsWidget.QMAX_DEFAULT
self.npts = OptionsWidget.NPTS_DEFAULT
self.log_points = True
self.weighting = 0
self.chi2 = None
# Undo/redo stack (per-tab, incremental command pattern)
self.undo_stack = UndoStack(self)
self._last_smearing_state = None
self._last_model_triple = None # (category, model, structure) for undo capture
self.all_data = []
# custom plugin models
# {model.name:model}
self.custom_models = self.customModels()
# copy of current kernel model
self.kernel_module_copy = None
# dictionaries of current params
self.magnet_params = {}
# Page id for fitting
# To keep with previous SasView values, use 200 as the start offset
self.page_id = 200 + self.tab_id
# Data for chosen model
self.model_data = None
self._previous_model_index = 0
# List of all shell-unique parameters
self.shell_names = []
# Error column presence in parameter display
self.has_error_column = False
self.has_magnet_error_column = False
# Enablement of comboboxes
self.enabled_cbmodel = False
self.enabled_sfmodel = False
# If the widget generated theory item, save it
self.theory_item = None
# list column widths
self.lstParamHeaderSizes = {}
# Fitting just ran - don't recalculate chi2
self.fitResults = False
# Current parameters
self.page_parameters = None
# signal communicator
self.communicator = GuiUtils.communicator
def initializeWidgets(self) -> None:
"""
Initialize widgets for tabs
"""
# Options widget
layout = QtWidgets.QGridLayout()
self.options_widget = OptionsWidget(self, self.logic)
layout.addWidget(self.options_widget)
self.tabOptions.setLayout(layout)
self.options_widget.setLogScale(self.log_points)
# Smearing widget
layout = QtWidgets.QGridLayout()
self.smearing_widget = SmearingWidget(self)
layout.addWidget(self.smearing_widget)
self.tabResolution.setLayout(layout)
# Polydispersity widget
layout = QtWidgets.QGridLayout()
self.polydispersity_widget = PolydispersityWidget(parent=self)
layout.addWidget(self.polydispersity_widget)
self.tabPolydispersity.setLayout(layout)
self.lstPoly = self.polydispersity_widget.lstPoly
# magnetism widget
layout = QtWidgets.QGridLayout()
self.magnetism_widget = MagnetismWidget(parent=self)
layout.addWidget(self.magnetism_widget)
self.tabMagnetism.setLayout(layout)
self.lstMagnetic = self.magnetism_widget.lstMagnetic
# Order widget
layout = QtWidgets.QGridLayout()
# pass all data items to access multiple datasets
self.order_widget = OrderWidget(self, self.all_data)
layout.addWidget(self.order_widget)
self.tabOrder.setLayout(layout)
# Define bold font for use in various controls
self.boldFont = QtGui.QFont()
self.boldFont.setBold(True)
# Set data label
self.label.setFont(self.boldFont)
self.label.setText("No data loaded")
self.lblFilename.setText("")
def initializeModels(self) -> None:
"""
Set up models and views
"""
# Set the main models
# We can't use a single model here, due to restrictions on flattening
# the model tree with subclassed QAbstractProxyModel...
self._model_model = FittingUtilities.ToolTippedItemModel()
self.model_dict["standard"] = self._model_model
self.model_dict["poly"] = self.polydispersity_widget.poly_model
self.model_dict["magnet"] = self.magnetism_widget._magnet_model
self.lst_dict["standard"] = self.lstParams
self.lst_dict["poly"] = self.lstPoly
self.lst_dict["magnet"] = self.lstMagnetic
self.tabToList[0] = self.lstParams
self.tabToList[3] = self.polydispersity_widget.lstPoly
self.tabToList[4] = self.magnetism_widget.lstMagnetic
self.tabToKey[0] = "standard"
self.tabToKey[3] = "poly"
self.tabToKey[4] = "magnet"
# Param model displayed in param list
self.lstParams.setModel(self._model_model)
self.readCategoryInfo()
# Delegates for custom editing and display
self.lstParams.setItemDelegate(ModelViewDelegate(self))
self.lstParams.setAlternatingRowColors(True)
stylesheet = """
QTreeView {
paint-alternating-row-colors-for-empty-area:0;
}
QTreeView::item {
border: 1px;
padding: 2px 1px;
}
QTreeView::item:hover {
background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1);
border: 1px solid #bfcde4;
}
QTreeView::item:selected {
border: 1px solid #567dbc;
}
QTreeView::item:selected:active{
background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc);
}
QTreeView::item:selected:!active {
background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf);
}
"""
self.lstParams.setStyleSheet(stylesheet)
self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
self.lstParams.customContextMenuRequested.connect(self.showModelContextMenu)
self.lstParams.setAttribute(QtCore.Qt.WA_MacShowFocusRect, False)
# Column resize signals
self.lstParams.header().sectionResized.connect(self.onColumnWidthUpdate)
# Poly model displayed in poly list
self.polydispersity_widget.setPolyModel()
self.lstPoly.customContextMenuRequested.connect(self.showModelContextMenu)
# Magnetism model displayed in magnetism list
self.magnetism_widget.setMagneticModel()
self.lstMagnetic.customContextMenuRequested.connect(self.showModelContextMenu)
# Initial status of the ordering tab - invisible
self.tabFitting.removeTab(TAB_ORDERING)
def initializeCategoryCombo(self) -> None:
"""
Model category combo setup
"""
category_list = sorted(self.master_category_dict)
self.cbCategory.addItem(CATEGORY_DEFAULT)
self.cbCategory.addItems(category_list)
if CATEGORY_STRUCTURE not in category_list:
self.cbCategory.addItem(CATEGORY_STRUCTURE)
self.cbCategory.setCurrentIndex(0)
def setEnablementOnDataLoad(self) -> None:
"""
Enable/disable various UI elements based on data loaded
"""
# Suppress undo capture: data loading is a programmatic operation,
# not a user-initiated parameter change. Without this, updateQRange
# and onWeightingChoice push spurious FitOptionsCommand entries.
with self.undo_stack.suppressed():
# Tag along functionality
self.label.setText("Data loaded from: ")
if self.logic.data.name:
self.lblFilename.setText(self.logic.data.name)
else:
self.lblFilename.setText(self.logic.data.filename)
self.updateQRange()
# Switch off Data2D control
self.chk2DView.setEnabled(False)
self.chk2DView.setVisible(False)
self.chkMagnetism.setEnabled(self.canHaveMagnetism())
self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked())
# Combo box or label for file name"
if self.is_batch_fitting:
self.lblFilename.setVisible(False)
for dataitem in self.all_data:
name = GuiUtils.dataFromItem(dataitem).name
self.cbFileNames.addItem(name)
self.cbFileNames.setVisible(True)
self.chkChainFit.setEnabled(True)
self.chkChainFit.setVisible(True)
# This panel is not designed to view individual fits, so disable plotting
self.cmdPlot.setVisible(False)
# Similarly on other tabs
self.options_widget.setEnablementOnDataLoad()
self.onSelectModel()
# Smearing tab
self.smearing_widget.updateData(self.data)
# Check if a model was already loaded when data is sent to the tab
self.cmdFit.setEnabled(self.haveParamsToFit())
def acceptsData(self) -> bool:
""" Tells the caller this widget can accept new dataset """
return not self.data_is_loaded
def disableModelCombo(self) -> None:
""" Disable the combobox """
self.cbModel.setEnabled(False)
self.lblModel.setEnabled(False)
self.enabled_cbmodel = False
def enableModelCombo(self) -> None:
""" Enable the combobox """
self.cbModel.setEnabled(True)
self.lblModel.setEnabled(True)
self.enabled_cbmodel = True
def disableStructureCombo(self) -> None:
""" Disable the combobox """
self.cbStructureFactor.setEnabled(False)
self.lblStructure.setEnabled(False)
self.enabled_sfmodel = False
def enableBackgroundParameter(self, set_value: float | None = None) -> None:
""" Enable the background parameter. Optionally set at a specified value. """
background_row = self.getRowFromName("background")
if background_row is not None:
self.setParamEditableByRow(background_row, True)
if set_value is not None:
self._model_model.item(background_row, 1).setText(GuiUtils.formatNumber(set_value, high=True))
def disableBackgroundParameter(self, set_value: float | None = None) -> None:
""" Disable the background parameter. Optionally set at a specified value. """
background_row = self.getRowFromName("background")
if background_row is not None:
self.setParamEditableByRow(background_row, False)
if set_value is not None:
self._model_model.item(background_row, 1).setText(GuiUtils.formatNumber(set_value, high=True))
def enableStructureCombo(self) -> None:
""" Enable the combobox """
self.cbStructureFactor.setEnabled(True)
self.lblStructure.setEnabled(True)
self.enabled_sfmodel = True
def togglePoly(self, isChecked: bool) -> None:
""" Enable/disable the polydispersity tab """
self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
# Check if any parameters are ready for fitting
self.cmdFit.setEnabled(self.haveParamsToFit())
self.polydispersity_widget.togglePoly(isChecked)
self.undo_stack.push(
CheckboxToggleCommand('chkPolydispersity', not isChecked, isChecked)
)
self.updateData()
def onPolyToggled(self, isChecked: bool) -> None:
"""
Handle polydispersity toggle signal from PolydispersityWidget.
Updates FittingState and tab enablement.
"""
self.fitting_state.poly_enabled = isChecked
self.tabFitting.setTabEnabled(TAB_POLY, isChecked)
self.cmdFit.setEnabled(self.haveParamsToFit())
def toggleMagnetism(self, isChecked: bool) -> None:
""" Enable/disable the magnetism tab """
self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
# Check if any parameters are ready for fitting
self.cmdFit.setEnabled(self.haveParamsToFit())
self.magnetism_widget.isActive = isChecked
self.undo_stack.push(
CheckboxToggleCommand('chkMagnetism', not isChecked, isChecked)
)
def onMagnetismToggled(self, isChecked: bool) -> None:
"""
Handle magnetism toggle signal from MagnetismWidget.
Updates FittingState and tab enablement.
"""
self.fitting_state.magnetism_enabled = isChecked
self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked)
self.cmdFit.setEnabled(self.haveParamsToFit())
def toggleChainFit(self, isChecked: bool) -> None:
""" Enable/disable chain fitting """
self.is_chain_fitting = isChecked
# show/hide the ordering tab
if isChecked:
self.tabFitting.insertTab(TAB_ORDERING, self.tabOrder, "Order")
else:
self.tabFitting.removeTab(TAB_ORDERING)
def toggle2D(self, isChecked: bool) -> None:
""" Enable/disable the controls dependent on 1D/2D data instance """
self.chkMagnetism.setEnabled(isChecked)
self.is2D = isChecked
# Reload the current model — suppress so the inner onSelectModel
# doesn't push its own command; toggle2D is one atomic undo step.
with self.undo_stack.suppressed():
if self.logic.kernel_module:
self.onSelectModel()
self.undo_stack.push(
CheckboxToggleCommand('chk2DView', not isChecked, isChecked)
)
@classmethod
def customModels(cls) -> dict[str, Any]:
""" Reads in file names in the custom plugin directory """
manager = models.ModelManager()
# TODO: Cache plugin models instead of scanning the directory each time.
manager.update()
# TODO: Define plugin_models property in ModelManager.
return manager.base.plugin_models
def initializeControls(self) -> None:
"""
Set initial control enablement
"""
self.cbFileNames.setVisible(False)
self.cmdFit.setEnabled(False)
self.cmdPlot.setEnabled(False)
self.chkPolydispersity.setEnabled(False)
self.chkPolydispersity.setChecked(False)
self.chk2DView.setEnabled(True)
self.chk2DView.setChecked(False)
self.chkMagnetism.setEnabled(False)
self.chkMagnetism.setChecked(False)
self.chkChainFit.setEnabled(False)
self.chkChainFit.setVisible(False)
# Tabs
self.tabFitting.setTabEnabled(TAB_POLY, False)
self.tabFitting.setTabEnabled(TAB_MAGNETISM, False)
self.lblChi2Value.setText("---")
# Smearing tab
self.smearing_widget.updateData(self.data)
# Line edits in the option tab
self.updateQRange()
def initializeSignals(self) -> None:
"""
Connect GUI element signals
"""
# Comboboxes
self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor)
self.cbCategory.currentIndexChanged.connect(self.onSelectCategory)
self.cbModel.currentIndexChanged.connect(self.onSelectModel)
self.cbFileNames.currentIndexChanged.connect(self.onSelectBatchFilename)
# Checkboxes
self.chk2DView.toggled.connect(self.toggle2D)
self.chkPolydispersity.toggled.connect(self.togglePoly)
self.chkMagnetism.toggled.connect(self.toggleMagnetism)
self.chkChainFit.toggled.connect(self.toggleChainFit)
# Buttons
self.cmdFit.clicked.connect(self.onFit)
self.cmdPlot.clicked.connect(self.onPlot)
self.cmdHelp.clicked.connect(self.onHelp)
# Respond to change in parameters from the UI
self._model_model.dataChanged.connect(self.onMainParamsChange)
self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged)
self.lstParams.installEventFilter(self)
# Local signals
self.batchFittingFinishedSignal.connect(self.batchFitComplete)
self.fittingFinishedSignal.connect(self.fitComplete)
self.Calc1DFinishedSignal.connect(self.complete1D)
self.Calc2DFinishedSignal.connect(self.complete2D)
# Signals from separate tabs asking for replot
self.options_widget.plot_signal.connect(self.onOptionsUpdate)
self.options_widget.txtMinRange.editingFinished.connect(self.options_widget.updateMinQ)
self.options_widget.txtMaxRange.editingFinished.connect(self.options_widget.updateMaxQ)
# Signals from other widgets
self.communicator.customModelDirectoryChanged.connect(self.onCustomModelChange)
self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate)
self.polydispersity_widget.cmdFitSignal.connect(lambda: self.cmdFit.setEnabled(self.haveParamsToFit()))
self.polydispersity_widget.updateDataSignal.connect(lambda: self.updateData())
self.polydispersity_widget.iterateOverModelSignal.connect(lambda: self.iterateOverModel(self.updateFunctionCaption))
self.polydispersity_widget.deletePlotSignal.connect(self.setPlotDeletable)
self.polydispersity_widget.toggledSignal.connect(self.onPolyToggled)
self.magnetism_widget.cmdFitSignal.connect(lambda: self.cmdFit.setEnabled(self.haveParamsToFit()))
self.magnetism_widget.updateDataSignal.connect(lambda: self.updateData())
self.magnetism_widget.toggledSignal.connect(self.onMagnetismToggled)
# Communicator signal
self.communicator.updateModelCategoriesSignal.connect(self.onCategoriesChanged)
self.communicator.updateMaskedDataSignal.connect(self.onMaskedData)
# Catch all key press events
self.keyPressedSignal.connect(self.onKey)
def keyPressEvent(self, event: QtGui.QKeyEvent) -> None:
super(FittingWidget, self).keyPressEvent(event)
self.keyPressedSignal.emit(event)
def eventFilter(self, obj: QtCore.QObject, event: QtCore.QEvent) -> bool:
# Catch enter key presses when editing model params
if obj in [self.lstParams, self.polydispersity_widget.lstPoly, self.magnetism_widget.lstMagnetic]:
if event.type() == QtCore.QEvent.KeyPress and event.key() in [QtCore.Qt.Key_Return, QtCore.Qt.Key_Enter]:
self.onKey(event)
return True
return False
def modelName(self) -> str:
"""
Returns model name, by default M<tab#>, e.g. M1, M2
"""
return f"M{self.tab_id}"
def nameForFittedData(self, name: str) -> str:
"""
Generate name for the current fit
"""
if self.is2D:
name += "2d"
name = f"{self.modelName()} [{name}]"
return name
def showModelContextMenu(self, position: QtCore.QPoint) -> None:
"""
Show context specific menu in the parameter table.
When clicked on parameter(s): fitting/constraints options
When clicked on white space: model description
"""
# See which model we're dealing with by looking at the tab id
current_list = self.tabToList[self.tabFitting.currentIndex()]
model_key = self.tabToKey[self.tabFitting.currentIndex()]
rows = [s.row() for s in current_list.selectionModel().selectedRows()
if self.isCheckable(s.row(), model_key=model_key)]
menu = self.showModelDescription() if not rows else self.modelContextMenu(rows)
try:
menu.exec_(current_list.viewport().mapToGlobal(position))
except AttributeError as ex:
logger.error("Error generating context menu: %s" % ex)
return
def modelContextMenu(self, rows: list[int]) -> QtWidgets.QMenu:
"""
Create context menu for the parameter selection
"""
menu = QtWidgets.QMenu()
num_rows = len(rows)
if num_rows < 1:
return menu
current_list = self.tabToList[self.tabFitting.currentIndex()]
model_key = self.tabToKey[self.tabFitting.currentIndex()]
# Select for fitting
param_string = "parameter " if num_rows == 1 else "parameters "
to_string = "to its current value" if num_rows == 1 else "to their current values"
has_constraints = any([self.rowHasConstraint(i, model_key=model_key) for i in rows])
has_real_constraints = any([self.rowHasActiveConstraint(i, model_key=model_key) for i in rows])
self.actionSelect = QtGui.QAction(self)
self.actionSelect.setObjectName("actionSelect")
self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting"))
# Unselect from fitting
self.actionDeselect = QtGui.QAction(self)
self.actionDeselect.setObjectName("actionDeselect")
self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting"))
self.actionConstrain = QtGui.QAction(self)
self.actionConstrain.setObjectName("actionConstrain")
self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string))
self.actionRemoveConstraint = QtGui.QAction(self)
self.actionRemoveConstraint.setObjectName("actionRemoveConstrain")
self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint"))
self.actionEditConstraint = QtGui.QAction(self)
self.actionEditConstraint.setObjectName("actionEditConstrain")
self.actionEditConstraint.setText(QtCore.QCoreApplication.translate("self", "Edit constraint"))
self.actionMultiConstrain = QtGui.QAction(self)
self.actionMultiConstrain.setObjectName("actionMultiConstrain")
self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values"))
self.actionMutualMultiConstrain = QtGui.QAction(self)
self.actionMutualMultiConstrain.setObjectName("actionMutualMultiConstrain")
self.actionMutualMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Mutual constrain of selected parameters..."))
menu.addAction(self.actionSelect)
menu.addAction(self.actionDeselect)
menu.addSeparator()
if has_constraints:
menu.addAction(self.actionRemoveConstraint)
if num_rows == 1 and has_real_constraints:
menu.addAction(self.actionEditConstraint)
else:
if num_rows == 2:
menu.addAction(self.actionMutualMultiConstrain)
else:
menu.addAction(self.actionConstrain)
# Define the callbacks
self.actionConstrain.triggered.connect(self.addSimpleConstraint)
self.actionRemoveConstraint.triggered.connect(self.deleteConstraint)
self.actionEditConstraint.triggered.connect(self.editConstraint)
self.actionMutualMultiConstrain.triggered.connect(lambda: self.showMultiConstraint(current_list=current_list))
self.actionSelect.triggered.connect(self.selectParameters)
self.actionDeselect.triggered.connect(self.deselectParameters)
return menu
def showMultiConstraint(self, current_list: QtWidgets.QTreeView | None = None) -> None:
"""
Show the constraint widget and receive the expression.
Delegated to ConstraintManager.
"""
self.constraint_manager.showMultiConstraint(current_list)
def getModelKeyFromName(self, name: str) -> str:
"""
Given parameter name, get the model index.
"""
if name in self.getParamNamesMain():
return "standard"
elif name in self.polydispersity_widget.getParamNamesPoly():
return "poly"
elif name in self.getParamNamesMagnet():
return "magnet"
else:
return "standard"
def getRowFromName(self, name: str) -> int | None:
"""
Given parameter name, get the row number in a model.
The model is the main _model_model by default
"""
model_key = self.getModelKeyFromName(name)
model = self.model_dict[model_key]
for row in range(model.rowCount()):
row_name = model.item(row).text()
if model_key == 'poly':
row_name = self.polydispersity_widget.polyNameToParam(row_name)
if row_name == name:
return row
return None
def getParamNames(self) -> list[str]:
"""
Return list of all active parameters for the current model
"""
main_model_params = self.getParamNamesMain()
poly_model_params = self.polydispersity_widget.getParamNamesPoly()
# magnet_model_params = self.getParamNamesMagnet()
return main_model_params + poly_model_params # + magnet_model_params
def getParamNamesMain(self) -> list[str]:
"""
Return list of main parameters for the current model
"""
main_model_params = [self._model_model.item(row).text()
for row in range(self._model_model.rowCount())
if self.isCheckable(row, model_key="standard")]
return main_model_params
def getParamNamesMagnet(self) -> list[str]:
"""
Return list of magnetic parameters for the current model
"""
if not self.chkMagnetism.isChecked():
return []
return self.magnetism_widget.getParamNamesMagnet()
def modifyViewOnRow(self, row: int, font: QtGui.QFont | None = None, brush: QtGui.QBrush | None = None, model_key: str = "standard") -> None:
"""
Change how the given row of the main model is shown
"""
model = self.model_dict[model_key]
fields_enabled = False
if font is None:
font = QtGui.QFont()
fields_enabled = True
if brush is None:
brush = QtGui.QBrush()
fields_enabled = True
model.blockSignals(True)
# Modify font and foreground of affected rows
for column in range(0, model.columnCount()):
model.item(row, column).setForeground(brush)
model.item(row, column).setFont(font)
# Allow the user to interact or not with the fields depending on
# whether the parameter is constrained or not
model.item(row, column).setEditable(fields_enabled)
# Force checkbox selection when parameter is constrained and disable
# checkbox interaction
if not fields_enabled and model.item(row, 0).isCheckable():
model.item(row, 0).setCheckState(QtCore.Qt.Checked)
model.item(row, 0).setEnabled(False)
else:
# Enable checkbox interaction
model.item(row, 0).setEnabled(True)
model.blockSignals(False)
def getModelKey(self, constraint: Constraint) -> str | None:
"""
Given parameter name get the model index.
"""
if constraint.param in self.getParamNamesMain():
return "standard"
elif constraint.param in self.polydispersity_widget.getParamNamesPoly():
return "poly"
elif constraint.param in self.getParamNamesMagnet():
return "magnet"
else:
return None
def addConstraintToRow(self, constraint: Constraint | None = None, row: int = 0, model_key: str = "standard") -> None:
"""
Add the constraint object to the requested row.
Delegated to ConstraintManager.
"""
self.constraint_manager.addConstraintToRow(constraint, row, model_key)
def addSimpleConstraint(self) -> None:
"""
Add a constraint on a single parameter.
Delegated to ConstraintManager.
"""
self.constraint_manager.addSimpleConstraint()
def editConstraint(self) -> None:
"""
Edit constraints for selected parameters.
Delegated to ConstraintManager.
"""
self.constraint_manager.editConstraint()
def deleteConstraint(self) -> None:
"""
Delete constraints from selected parameters.
Delegated to ConstraintManager.
"""
self.constraint_manager.deleteConstraint()
def deleteConstraintOnParameter(self, param: str | None = None, model_key: str = "standard") -> None:
"""
Delete the constraint on model parameter 'param'.
Delegated to ConstraintManager.
"""
self.constraint_manager.deleteConstraintOnParameter(param, model_key)
def getConstraintForRow(self, row: int, model_key: str = "standard") -> Constraint | None:
"""
For the given row, return its constraint, if any (otherwise None).
Delegated to ConstraintManager.
"""
return self.constraint_manager.getConstraintForRow(row, model_key)
def allParamNames(self) -> list[str]:
"""
Returns a list of all parameter names defined on the current model
"""
all_params = self.logic.kernel_module._model_info.parameters.kernel_parameters