Source code for sas.qtgui.Perspectives.Fitting.FittingWidget

import json
import os
import sys
from collections import defaultdict

import copy
import logging
import traceback
from twisted.internet import threads
import numpy as np
import webbrowser

from PyQt5 import QtCore
from PyQt5 import QtGui
from PyQt5 import QtWidgets

from sasmodels import generate
from sasmodels import modelinfo
from sasmodels.sasview_model import load_standard_models
from sasmodels.sasview_model import MultiplicationModel
from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS

from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit
from sas.sascalc.fit.pagestate import PageState
from sas.sascalc.fit import models

import sas.qtgui.Utilities.GuiUtils as GuiUtils
import sas.qtgui.Utilities.LocalConfig as LocalConfig
from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller
from sas.qtgui.Plotting.PlotterData import Data1D
from sas.qtgui.Plotting.PlotterData import Data2D
from sas.qtgui.Plotting.Plotter import PlotterWidget

from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI
from sas.qtgui.Perspectives.Fitting.FitThread import FitThread
from sas.qtgui.Perspectives.Fitting.ConsoleUpdate import ConsoleUpdate

from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D
from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D
from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic
from sas.qtgui.Perspectives.Fitting import FittingUtilities
from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget
from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget
from sas.qtgui.Perspectives.Fitting.FitPage import FitPage
from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate
from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate
from sas.qtgui.Perspectives.Fitting.ViewDelegate import MagnetismViewDelegate
from sas.qtgui.Perspectives.Fitting.Constraint import Constraint
from sas.qtgui.Perspectives.Fitting.MultiConstraint import MultiConstraint
from sas.qtgui.Perspectives.Fitting.ReportPageLogic import ReportPageLogic
from sas.qtgui.Perspectives.Fitting.OrderWidget import OrderWidget

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'

# CRUFT: remove when new release of sasmodels is available
# https://github.com/SasView/sasview/pull/181#discussion_r218135162
from sasmodels.sasview_model import SasviewModel
if not hasattr(SasviewModel, 'get_weights'):
[docs] def get_weights(self, name): """ Returns the polydispersity distribution for parameter *name* as *value* and *weight* arrays. """ # type: (str) -> Tuple(np.ndarray, np.ndarray) _, x, w = self._get_weights(self._model_info.parameters[name]) return x, w
SasviewModel.get_weights = get_weights logger = logging.getLogger(__name__)
[docs]class ToolTippedItemModel(QtGui.QStandardItemModel): """ Subclass from QStandardItemModel to allow displaying tooltips in QTableView model. """ def __init__(self, parent=None): QtGui.QStandardItemModel.__init__(self, parent)
[docs] def headerData(self, section, orientation, role=QtCore.Qt.DisplayRole): """ Displays tooltip for each column's header :param section: :param orientation: :param role: :return: """ if role == QtCore.Qt.ToolTipRole: if orientation == QtCore.Qt.Horizontal: return str(self.header_tooltips[section]) return QtGui.QStandardItemModel.headerData(self, section, orientation, role)
[docs]class FittingWidget(QtWidgets.QWidget, Ui_FittingWidgetUI): """ Main widget for selecting form and structure factor models """ constraintAddedSignal = QtCore.pyqtSignal(list) newModelSignal = QtCore.pyqtSignal() fittingFinishedSignal = QtCore.pyqtSignal(tuple) batchFittingFinishedSignal = QtCore.pyqtSignal(tuple) Calc1DFinishedSignal = QtCore.pyqtSignal(dict) Calc2DFinishedSignal = QtCore.pyqtSignal(dict) MAGNETIC_MODELS = ['sphere', 'core_shell_sphere', 'core_multi_shell', 'cylinder', 'parallelepiped'] def __init__(self, parent=None, data=None, tab_id=1): super(FittingWidget, self).__init__() # Necessary globals self.parent = parent # Which tab is this widget displayed in? self.tab_id = tab_id import sys sys.excepthook = self.info # 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()] # Main GUI setup up self.setupUi(self) self.setWindowTitle("Fitting") # Set up tabs widgets self.initializeWidgets() # Set up models and views self.initializeModels() # 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.data = 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)
[docs] def info(self, type, value, tb): logger.error("".join(traceback.format_exception(type, value, tb)))
@property def logic(self): # 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): return self.logic.data @data.setter def data(self, value): """ 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) # 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) # 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 # Enable/disable UI components self.setEnablementOnDataLoad()
[docs] def initializeGlobals(self): """ 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 in view self.kernel_module = 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 = 0 self._num_shell_params = 0 # Dictionary of {model name: model class} for the current category self.models = {} # Parameters to fit self.main_params_to_fit = [] self.poly_params_to_fit = [] self.magnet_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 = False self.weighting = 0 self.chi2 = None # Does the control support UNDO/REDO # temporarily off self.undo_supported = False self.page_stack = [] self.all_data = [] # custom plugin models # {model.name:model} self.custom_models = self.customModels() # Polydisp widget table default index for function combobox self.orig_poly_index = 4 # copy of current kernel model self.kernel_module_copy = None # dictionaries of current params self.poly_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 # Which shell is being currently displayed? self.current_shell_displayed = 0 # List of all shell-unique parameters self.shell_names = [] # Error column presence in parameter display self.has_error_column = False self.has_poly_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 # signal communicator self.communicate = self.parent.communicate
[docs] def initializeWidgets(self): """ 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) # Smearing widget layout = QtWidgets.QGridLayout() self.smearing_widget = SmearingWidget(self) layout.addWidget(self.smearing_widget) self.tabResolution.setLayout(layout) # 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("") # Magnetic angles explained in one picture self.magneticAnglesWidget = QtWidgets.QWidget() labl = QtWidgets.QLabel(self.magneticAnglesWidget) pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.png') labl.setPixmap(pixmap) self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height())
[docs] def initializeModels(self): """ 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 = ToolTippedItemModel() self._poly_model = ToolTippedItemModel() self._magnet_model = ToolTippedItemModel() # Param model displayed in param list self.lstParams.setModel(self._model_model) self.readCategoryInfo() self.model_parameters = None # 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.lstPoly.setModel(self._poly_model) self.setPolyModel() self.setTableProperties(self.lstPoly) # Delegates for custom editing and display self.lstPoly.setItemDelegate(PolyViewDelegate(self)) # Polydispersity function combo response self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange) self.lstPoly.itemDelegate().filename_updated.connect(self.onPolyFilenameChange) # Magnetism model displayed in magnetism list self.lstMagnetic.setModel(self._magnet_model) self.setMagneticModel() self.setTableProperties(self.lstMagnetic) # Delegates for custom editing and display self.lstMagnetic.setItemDelegate(MagnetismViewDelegate(self)) # Initial status of the ordering tab - invisible self.tabFitting.removeTab(TAB_ORDERING)
[docs] def initializeCategoryCombo(self): """ Model category combo setup """ category_list = sorted(self.master_category_dict.keys()) 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)
[docs] def setEnablementOnDataLoad(self): """ Enable/disable various UI elements based on data loaded """ # Tag along functionality self.label.setText("Data loaded from: ") if self.logic.data.filename: self.lblFilename.setText(self.logic.data.filename) else: self.lblFilename.setText(self.logic.data.name) self.updateQRange() # Switch off Data2D control self.chk2DView.setEnabled(False) self.chk2DView.setVisible(False) self.chkMagnetism.setEnabled(False) 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: filename = GuiUtils.dataFromItem(dataitem).filename self.cbFileNames.addItem(filename) 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)
[docs] def acceptsData(self): """ Tells the caller this widget can accept new dataset """ return not self.data_is_loaded
[docs] def disableModelCombo(self): """ Disable the combobox """ self.cbModel.setEnabled(False) self.lblModel.setEnabled(False) self.enabled_cbmodel = False
[docs] def enableModelCombo(self): """ Enable the combobox """ self.cbModel.setEnabled(True) self.lblModel.setEnabled(True) self.enabled_cbmodel = True
[docs] def disableStructureCombo(self): """ Disable the combobox """ self.cbStructureFactor.setEnabled(False) self.lblStructure.setEnabled(False) self.enabled_sfmodel = False
[docs] def enableStructureCombo(self): """ Enable the combobox """ self.cbStructureFactor.setEnabled(True) self.lblStructure.setEnabled(True) self.enabled_sfmodel = True
[docs] def togglePoly(self, isChecked): """ Enable/disable the polydispersity tab """ self.tabFitting.setTabEnabled(TAB_POLY, isChecked) # Check if any parameters are ready for fitting self.cmdFit.setEnabled(self.haveParamsToFit())
[docs] def toggleMagnetism(self, isChecked): """ Enable/disable the magnetism tab """ self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) # Check if any parameters are ready for fitting self.cmdFit.setEnabled(self.haveParamsToFit())
[docs] def toggleChainFit(self, isChecked): """ 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)
[docs] def toggle2D(self, isChecked): """ Enable/disable the controls dependent on 1D/2D data instance """ self.chkMagnetism.setEnabled(isChecked) self.is2D = isChecked # Reload the current model if self.kernel_module: self.onSelectModel()
[docs] @classmethod def customModels(cls): """ 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
[docs] def initializeControls(self): """ Set initial control enablement """ self.cbFileNames.setVisible(False) self.cmdFit.setEnabled(False) self.cmdPlot.setEnabled(False) self.chkPolydispersity.setEnabled(True) self.chkPolydispersity.setCheckState(False) self.chk2DView.setEnabled(True) self.chk2DView.setCheckState(False) self.chkMagnetism.setEnabled(False) self.chkMagnetism.setCheckState(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()
[docs] def initializeSignals(self): """ 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) self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles) # Respond to change in parameters from the UI self._model_model.dataChanged.connect(self.onMainParamsChange) self._poly_model.dataChanged.connect(self.onPolyModelChange) self._magnet_model.dataChanged.connect(self.onMagnetModelChange) self.lstParams.selectionModel().selectionChanged.connect(self.onSelectionChanged) # 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) # Signals from other widgets self.communicate.customModelDirectoryChanged.connect(self.onCustomModelChange) self.smearing_widget.smearingChangedSignal.connect(self.onSmearingOptionsUpdate) # Communicator signal self.communicate.updateModelCategoriesSignal.connect(self.onCategoriesChanged) self.communicate.updateMaskedDataSignal.connect(self.onMaskedData)
[docs] def modelName(self): """ Returns model name, by default M<tab#>, e.g. M1, M2 """ return "M%i" % self.tab_id
[docs] def nameForFittedData(self, name): """ Generate name for the current fit """ if self.is2D: name += "2d" name = "%s [%s]" % (self.modelName(), name) return name
[docs] def showModelContextMenu(self, position): """ Show context specific menu in the parameter table. When clicked on parameter(s): fitting/constraints options When clicked on white space: model description """ rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if self.isCheckable(s.row())] menu = self.showModelDescription() if not rows else self.modelContextMenu(rows) try: menu.exec_(self.lstParams.viewport().mapToGlobal(position)) except AttributeError as ex: logger.error("Error generating context menu: %s" % ex) return
[docs] def modelContextMenu(self, rows): """ Create context menu for the parameter selection """ menu = QtWidgets.QMenu() num_rows = len(rows) if num_rows < 1: return menu # 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) for i in rows]) has_real_constraints = any([self.rowHasActiveConstraint(i) for i in rows]) self.actionSelect = QtWidgets.QAction(self) self.actionSelect.setObjectName("actionSelect") self.actionSelect.setText(QtCore.QCoreApplication.translate("self", "Select "+param_string+" for fitting")) # Unselect from fitting self.actionDeselect = QtWidgets.QAction(self) self.actionDeselect.setObjectName("actionDeselect") self.actionDeselect.setText(QtCore.QCoreApplication.translate("self", "De-select "+param_string+" from fitting")) self.actionConstrain = QtWidgets.QAction(self) self.actionConstrain.setObjectName("actionConstrain") self.actionConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain "+param_string + to_string)) self.actionRemoveConstraint = QtWidgets.QAction(self) self.actionRemoveConstraint.setObjectName("actionRemoveConstrain") self.actionRemoveConstraint.setText(QtCore.QCoreApplication.translate("self", "Remove constraint")) self.actionEditConstraint = QtWidgets.QAction(self) self.actionEditConstraint.setObjectName("actionEditConstrain") self.actionEditConstraint.setText(QtCore.QCoreApplication.translate("self", "Edit constraint")) self.actionMultiConstrain = QtWidgets.QAction(self) self.actionMultiConstrain.setObjectName("actionMultiConstrain") self.actionMultiConstrain.setText(QtCore.QCoreApplication.translate("self", "Constrain selected parameters to their current values")) self.actionMutualMultiConstrain = QtWidgets.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) #if num_rows == 1: # menu.addAction(self.actionEditConstraint) else: menu.addAction(self.actionConstrain) if num_rows == 2: menu.addAction(self.actionMutualMultiConstrain) # 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(self.showMultiConstraint) self.actionSelect.triggered.connect(self.selectParameters) self.actionDeselect.triggered.connect(self.deselectParameters) return menu
[docs] def showMultiConstraint(self): """ Show the constraint widget and receive the expression """ selected_rows = self.lstParams.selectionModel().selectedRows() # There have to be only two rows selected. The caller takes care of that # but let's check the correctness. assert len(selected_rows) == 2 params_list = [s.data() for s in selected_rows] # Create and display the widget for param1 and param2 mc_widget = MultiConstraint(self, params=params_list) # Check if any of the parameters are polydisperse if not np.any([FittingUtilities.isParamPolydisperse(p, self.model_parameters, is2D=self.is2D) for p in params_list]): # no parameters are pd - reset the text to not show the warning mc_widget.lblWarning.setText("") if mc_widget.exec_() != QtWidgets.QDialog.Accepted: return constraint = Constraint() c_text = mc_widget.txtConstraint.text() # widget.params[0] is the parameter we're constraining constraint.param = mc_widget.params[0] # parameter should have the model name preamble model_name = self.kernel_module.name # param_used is the parameter we're using in constraining function param_used = mc_widget.params[1] # Replace param_used with model_name.param_used updated_param_used = model_name + "." + param_used new_func = c_text.replace(param_used, updated_param_used) constraint.func = new_func constraint.value_ex = updated_param_used # Which row is the constrained parameter in? row = self.getRowFromName(constraint.param) # what is the parameter to constraint to? constraint.value = param_used # Should the new constraint be validated? constraint.validate = mc_widget.validate # Create a new item and add the Constraint object as a child self.addConstraintToRow(constraint=constraint, row=row)
[docs] def getRowFromName(self, name): """ Given parameter name get the row number in self._model_model """ for row in range(self._model_model.rowCount()): row_name = self._model_model.item(row).text() if row_name == name: return row return None
[docs] def getParamNames(self): """ Return list of all parameters for the current model """ return [self._model_model.item(row).text() for row in range(self._model_model.rowCount()) if self.isCheckable(row)]
[docs] def modifyViewOnRow(self, row, font=None, brush=None): """ Change how the given row of the main model is shown """ fields_enabled = False if font is None: font = QtGui.QFont() fields_enabled = True if brush is None: brush = QtGui.QBrush() fields_enabled = True self._model_model.blockSignals(True) # Modify font and foreground of affected rows for column in range(0, self._model_model.columnCount()): self._model_model.item(row, column).setForeground(brush) self._model_model.item(row, column).setFont(font) self._model_model.item(row, column).setEditable(fields_enabled) self._model_model.blockSignals(False)
[docs] def addConstraintToRow(self, constraint=None, row=0): """ Adds the constraint object to requested row """ # Create a new item and add the Constraint object as a child assert isinstance(constraint, Constraint) assert 0 <= row <= self._model_model.rowCount() assert self.isCheckable(row) item = QtGui.QStandardItem() item.setData(constraint) self._model_model.item(row, 1).setChild(0, item) # Set min/max to the value constrained self.constraintAddedSignal.emit([row]) # Show visual hints for the constraint font = QtGui.QFont() font.setItalic(True) brush = QtGui.QBrush(QtGui.QColor('blue')) self.modifyViewOnRow(row, font=font, brush=brush) self.communicate.statusBarUpdateSignal.emit('Constraint added')
[docs] def addSimpleConstraint(self): """ Adds a constraint on a single parameter. """ min_col = self.lstParams.itemDelegate().param_min max_col = self.lstParams.itemDelegate().param_max for row in self.selectedParameters(): assert(self.isCheckable(row)) param = self._model_model.item(row, 0).text() value = self._model_model.item(row, 1).text() min_t = self._model_model.item(row, min_col).text() max_t = self._model_model.item(row, max_col).text() # Create a Constraint object constraint = Constraint(param=param, value=value, min=min_t, max=max_t) # Create a new item and add the Constraint object as a child item = QtGui.QStandardItem() item.setData(constraint) self._model_model.item(row, 1).setChild(0, item) # Assumed correctness from the validator value = float(value) # BUMPS calculates log(max-min) without any checks, so let's assign minor range min_v = value - (value/10000.0) max_v = value + (value/10000.0) # Set min/max to the value constrained self._model_model.item(row, min_col).setText(str(min_v)) self._model_model.item(row, max_col).setText(str(max_v)) self.constraintAddedSignal.emit([row]) # Show visual hints for the constraint font = QtGui.QFont() font.setItalic(True) brush = QtGui.QBrush(QtGui.QColor('blue')) self.modifyViewOnRow(row, font=font, brush=brush) self.communicate.statusBarUpdateSignal.emit('Constraint added')
[docs] def editConstraint(self): """ Delete constraints from selected parameters. """ params_list = [s.data() for s in self.lstParams.selectionModel().selectedRows() if self.isCheckable(s.row())] assert len(params_list) == 1 row = self.lstParams.selectionModel().selectedRows()[0].row() constraint = self.getConstraintForRow(row) # Create and display the widget for param1 and param2 mc_widget = MultiConstraint(self, params=params_list, constraint=constraint) # Check if any of the parameters are polydisperse if not np.any([FittingUtilities.isParamPolydisperse(p, self.model_parameters, is2D=self.is2D) for p in params_list]): # no parameters are pd - reset the text to not show the warning mc_widget.lblWarning.setText("") if mc_widget.exec_() != QtWidgets.QDialog.Accepted: return constraint = Constraint() c_text = mc_widget.txtConstraint.text() # widget.params[0] is the parameter we're constraining constraint.param = mc_widget.params[0] # parameter should have the model name preamble model_name = self.kernel_module.name # param_used is the parameter we're using in constraining function param_used = mc_widget.params[1] # Replace param_used with model_name.param_used updated_param_used = model_name + "." + param_used # Update constraint with new values constraint.func = c_text constraint.value_ex = updated_param_used constraint.value = param_used # Should the new constraint be validated? constraint.validate = mc_widget.validate # Which row is the constrained parameter in? row = self.getRowFromName(constraint.param) # Create a new item and add the Constraint object as a child self.addConstraintToRow(constraint=constraint, row=row)
[docs] def deleteConstraint(self): """ Delete constraints from selected parameters. """ params = [s.data() for s in self.lstParams.selectionModel().selectedRows() if self.isCheckable(s.row())] for param in params: self.deleteConstraintOnParameter(param=param)
[docs] def deleteConstraintOnParameter(self, param=None): """ Delete the constraint on model parameter 'param' """ min_col = self.lstParams.itemDelegate().param_min max_col = self.lstParams.itemDelegate().param_max for row in range(self._model_model.rowCount()): if not self.isCheckable(row): continue if not self.rowHasConstraint(row): continue # Get the Constraint object from of the model item item = self._model_model.item(row, 1) constraint = self.getConstraintForRow(row) if constraint is None: continue if not isinstance(constraint, Constraint): continue if param and constraint.param != param: continue # Now we got the right row. Delete the constraint and clean up # Retrieve old values and put them on the model if constraint.min is not None: self._model_model.item(row, min_col).setText(constraint.min) if constraint.max is not None: self._model_model.item(row, max_col).setText(constraint.max) # Remove constraint item item.removeRow(0) self.constraintAddedSignal.emit([row]) self.modifyViewOnRow(row) self.communicate.statusBarUpdateSignal.emit('Constraint removed')
[docs] def getConstraintForRow(self, row): """ For the given row, return its constraint, if any (otherwise None) """ if not self.isCheckable(row): return None item = self._model_model.item(row, 1) try: return item.child(0).data() except AttributeError: return None
[docs] def allParamNames(self): """ Returns a list of all parameter names defined on the current model """ all_params = self.kernel_module._model_info.parameters.kernel_parameters all_param_names = [param.name for param in all_params] # Assure scale and background are always included if 'scale' not in all_param_names: all_param_names.append('scale') if 'background' not in all_param_names: all_param_names.append('background') return all_param_names
[docs] def paramHasConstraint(self, param=None): """ Finds out if the given parameter in the main model has a constraint child """ if param is None: return False if param not in self.allParamNames(): return False for row in range(self._model_model.rowCount()): if self._model_model.item(row,0).text() != param: continue return self.rowHasConstraint(row) # nothing found return False
[docs] def rowHasConstraint(self, row): """ Finds out if row of the main model has a constraint child """ if not self.isCheckable(row): return False item = self._model_model.item(row, 1) if not item.hasChildren(): return False c = item.child(0).data() if isinstance(c, Constraint): return True return False
[docs] def rowHasActiveConstraint(self, row): """ Finds out if row of the main model has an active constraint child """ if not self.isCheckable(row): return False item = self._model_model.item(row, 1) if not item.hasChildren(): return False c = item.child(0).data() if isinstance(c, Constraint) and c.active: return True return False
[docs] def rowHasActiveComplexConstraint(self, row): """ Finds out if row of the main model has an active, nontrivial constraint child """ if not self.isCheckable(row): return False item = self._model_model.item(row, 1) if not item.hasChildren(): return False c = item.child(0).data() if isinstance(c, Constraint) and c.func and c.active: return True return False
[docs] def selectParameters(self): """ Selected parameter is chosen for fitting """ status = QtCore.Qt.Checked self.setParameterSelection(status)
[docs] def deselectParameters(self): """ Selected parameters are removed for fitting """ status = QtCore.Qt.Unchecked self.setParameterSelection(status)
[docs] def selectedParameters(self): """ Returns list of selected (highlighted) parameters """ return [s.row() for s in self.lstParams.selectionModel().selectedRows() if self.isCheckable(s.row())]
[docs] def setParameterSelection(self, status=QtCore.Qt.Unchecked): """ Selected parameters are chosen for fitting """ # Convert to proper indices and set requested enablement for row in self.selectedParameters(): self._model_model.item(row, 0).setCheckState(status)
[docs] def getConstraintsForModel(self): """ Return a list of tuples. Each tuple contains constraints mapped as ('constrained parameter', 'function to constrain') e.g. [('sld','5*sld_solvent')] """ param_number = self._model_model.rowCount() params = [(self._model_model.item(s, 0).text(), self._model_model.item(s, 1).child(0).data().func) for s in range(param_number) if self.rowHasActiveConstraint(s)] return params
[docs] def getComplexConstraintsForModel(self): """ Return a list of tuples. Each tuple contains constraints mapped as ('constrained parameter', 'function to constrain') e.g. [('sld','5*M2.sld_solvent')]. Only for constraints with defined VALUE """ param_number = self._model_model.rowCount() params = [(self._model_model.item(s, 0).text(), self._model_model.item(s, 1).child(0).data().func) for s in range(param_number) if self.rowHasActiveComplexConstraint(s)] return params
[docs] def getConstraintObjectsForModel(self): """ Returns Constraint objects present on the whole model """ param_number = self._model_model.rowCount() constraints = [self._model_model.item(s, 1).child(0).data() for s in range(param_number) if self.rowHasConstraint(s)] return constraints
[docs] def getConstraintsForFitting(self): """ Return a list of constraints in format ready for use in fiting """ # Get constraints constraints = self.getComplexConstraintsForModel() # See if there are any constraints across models multi_constraints = [cons for cons in constraints if self.isConstraintMultimodel(cons[1])] if multi_constraints: # Let users choose what to do msg = "The current fit contains constraints relying on other fit pages.\n" msg += "Parameters with those constraints are:\n" +\ '\n'.join([cons[0] for cons in multi_constraints]) msg += "\n\nWould you like to remove these constraints or cancel fitting?" msgbox = QtWidgets.QMessageBox(self) msgbox.setIcon(QtWidgets.QMessageBox.Warning) msgbox.setText(msg) msgbox.setWindowTitle("Existing Constraints") # custom buttons button_remove = QtWidgets.QPushButton("Remove") msgbox.addButton(button_remove, QtWidgets.QMessageBox.YesRole) button_cancel = QtWidgets.QPushButton("Cancel") msgbox.addButton(button_cancel, QtWidgets.QMessageBox.RejectRole) retval = msgbox.exec_() if retval == QtWidgets.QMessageBox.RejectRole: # cancel fit raise ValueError("Fitting cancelled") else: # remove constraint for cons in multi_constraints: self.deleteConstraintOnParameter(param=cons[0]) # re-read the constraints constraints = self.getComplexConstraintsForModel() return constraints
[docs] def showModelDescription(self): """ Creates a window with model description, when right clicked in the treeview """ msg = 'Model description:\n' if self.kernel_module is not None: if str(self.kernel_module.description).rstrip().lstrip() == '': msg += "Sorry, no information is available for this model." else: msg += self.kernel_module.description + '\n' else: msg += "You must select a model to get information on this" menu = QtWidgets.QMenu() label = QtWidgets.QLabel(msg) action = QtWidgets.QWidgetAction(self) action.setDefaultWidget(label) menu.addAction(action) return menu
[docs] def canHaveMagnetism(self): """ Checks if the current model has magnetic scattering implemented """ has_mag_params = False if self.kernel_module: has_mag_params = len(self.kernel_module.magnetic_params) > 0 return self.is2D and has_mag_params
[docs] def onSelectModel(self): """ Respond to select Model from list event """ model = self.cbModel.currentText() if model == MODEL_DEFAULT: # if the previous category was not the default, keep it. # Otherwise, just return if self._previous_model_index != 0: # We need to block signals, or else state changes on perceived unchanged conditions self.cbModel.blockSignals(True) self.cbModel.setCurrentIndex(self._previous_model_index) self.cbModel.blockSignals(False) return # Assure the control is active if not self.cbModel.isEnabled(): return # Empty combobox forced to be read if not model: return self.chkMagnetism.setEnabled(self.canHaveMagnetism()) self.chkMagnetism.setEnabled(self.canHaveMagnetism()) self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked() and self.canHaveMagnetism()) self._previous_model_index = self.cbModel.currentIndex() # Reset parameters to fit self.resetParametersToFit() self.has_error_column = False self.has_poly_error_column = False structure = None if self.cbStructureFactor.isEnabled(): structure = str(self.cbStructureFactor.currentText()) self.respondToModelStructure(model=model, structure_factor=structure)
[docs] def onSelectBatchFilename(self, data_index): """ Update the logic based on the selected file in batch fitting """ self.data_index = data_index self.updateQRange()
[docs] def onSelectStructureFactor(self): """ Select Structure Factor from list """ model = str(self.cbModel.currentText()) category = str(self.cbCategory.currentText()) structure = str(self.cbStructureFactor.currentText()) if category == CATEGORY_STRUCTURE: model = None # copy original clipboard cb = QtWidgets.QApplication.clipboard() cb_text = cb.text() # get the screenshot of the current param state self.onCopyToClipboard("") # Reset parameters to fit self.resetParametersToFit() self.has_error_column = False self.has_poly_error_column = False self.respondToModelStructure(model=model, structure_factor=structure) # recast the original parameters into the model self.onParameterPaste() # revert to the original clipboard cb.setText(cb_text)
[docs] def resetParametersToFit(self): """ Clears the list of parameters to be fitted """ self.main_params_to_fit = [] self.poly_params_to_fit = [] self.magnet_params_to_fit = []
[docs] def onCustomModelChange(self): """ Reload the custom model combobox """ ## If caching plugins, then force cache reset to reload plugins #ModelManager().plugins_reset() self.custom_models = self.customModels() self.readCustomCategoryInfo() self.onCategoriesChanged() # See if we need to update the combo in-place if self.cbCategory.currentText() != CATEGORY_CUSTOM: return current_text = self.cbModel.currentText() self.cbModel.blockSignals(True) self.cbModel.clear() self.cbModel.blockSignals(False) self.enableModelCombo() self.disableStructureCombo() # Retrieve the list of models model_list = self.master_category_dict[CATEGORY_CUSTOM] # Populate the models combobox self.cbModel.addItems(sorted([model for (model, _) in model_list])) new_index = self.cbModel.findText(current_text) if new_index != -1: self.cbModel.setCurrentIndex(self.cbModel.findText(current_text))
[docs] def onSelectionChanged(self): """ React to parameter selection """ rows = self.lstParams.selectionModel().selectedRows() # Clean previous messages self.communicate.statusBarUpdateSignal.emit("") if len(rows) == 1: # Show constraint, if present row = rows[0].row() if not self.rowHasConstraint(row): return constr = self.getConstraintForRow(row) func = self.getConstraintForRow(row).func if constr.func is not None: # inter-parameter constraint update_text = "Active constraint: "+func elif constr.param == rows[0].data(): # current value constraint update_text = "Value constrained to: " + str(constr.value) else: # ill defined constraint return self.communicate.statusBarUpdateSignal.emit(update_text)
[docs] def replaceConstraintName(self, old_name, new_name=""): """ Replace names of models in defined constraints """ param_number = self._model_model.rowCount() # loop over parameters for row in range(param_number): if self.rowHasConstraint(row): func = self._model_model.item(row, 1).child(0).data().func if old_name in func: new_func = func.replace(old_name, new_name) self._model_model.item(row, 1).child(0).data().func = new_func
[docs] def isConstraintMultimodel(self, constraint): """ Check if the constraint function text contains current model name """ current_model_name = self.kernel_module.name if current_model_name in constraint: return False else: return True
[docs] def updateData(self): """ Helper function for recalculation of data used in plotting """ # Update the chart if self.data_is_loaded: self.cmdPlot.setText("Show Plot") self.calculateQGridForModel() else: self.cmdPlot.setText("Calculate") # Create default datasets if no data passed self.createDefaultDataset() self.theory_item = None # ensure theory is recalc. before plot, see showTheoryPlot()
[docs] def respondToModelStructure(self, model=None, structure_factor=None): # Set enablement on calculate/plot self.cmdPlot.setEnabled(True) # kernel parameters -> model_model self.SASModelToQModel(model, structure_factor) # Enable magnetism checkbox for selected models self.chkMagnetism.setEnabled(self.canHaveMagnetism()) self.tabFitting.setTabEnabled(TAB_MAGNETISM, self.chkMagnetism.isChecked() and self.canHaveMagnetism()) # Update column widths for column, width in self.lstParamHeaderSizes.items(): self.lstParams.setColumnWidth(column, width) # Update plot self.updateData() # Update state stack self.updateUndo() # Let others know self.newModelSignal.emit()
[docs] def onSelectCategory(self): """ Select Category from list """ category = self.cbCategory.currentText() # Check if the user chose "Choose category entry" if category == CATEGORY_DEFAULT: # if the previous category was not the default, keep it. # Otherwise, just return if self._previous_category_index != 0: # We need to block signals, or else state changes on perceived unchanged conditions self.cbCategory.blockSignals(True) self.cbCategory.setCurrentIndex(self._previous_category_index) self.cbCategory.blockSignals(False) return if category == CATEGORY_STRUCTURE: self.disableModelCombo() self.enableStructureCombo() # set the index to 0 self.cbStructureFactor.setCurrentIndex(0) self.model_parameters = None self._model_model.clear() return # Wipe out the parameter model self._model_model.clear() # Safely clear and enable the model combo self.cbModel.blockSignals(True) self.cbModel.clear() self.cbModel.blockSignals(False) self.enableModelCombo() self.disableStructureCombo() self._previous_category_index = self.cbCategory.currentIndex() # Retrieve the list of models model_list = self.master_category_dict[category] # Populate the models combobox self.cbModel.blockSignals(True) self.cbModel.addItem(MODEL_DEFAULT) self.cbModel.addItems(sorted([model for (model, _) in model_list])) self.cbModel.blockSignals(False)
[docs] def onPolyModelChange(self, top, bottom): """ Callback method for updating the main model and sasmodel parameters with the GUI values in the polydispersity view """ item = self._poly_model.itemFromIndex(top) model_column = item.column() model_row = item.row() name_index = self._poly_model.index(model_row, 0) parameter_name = str(name_index.data()) # "distribution of sld" etc. if "istribution of" in parameter_name: # just the last word parameter_name = parameter_name.rsplit()[-1] delegate = self.lstPoly.itemDelegate() # Extract changed value. if model_column == delegate.poly_parameter: # Is the parameter checked for fitting? value = item.checkState() parameter_name_w = parameter_name + '.width' if value == QtCore.Qt.Checked: self.poly_params_to_fit.append(parameter_name_w) else: if parameter_name_w in self.poly_params_to_fit: self.poly_params_to_fit.remove(parameter_name_w) self.cmdFit.setEnabled(self.haveParamsToFit()) # force data update key = parameter_name + '.' + delegate.columnDict()[delegate.poly_pd] self.poly_params[key] = value self.updateData() elif model_column in [delegate.poly_min, delegate.poly_max]: try: value = GuiUtils.toDouble(item.text()) except TypeError: # Can't be converted properly, bring back the old value and exit return current_details = self.kernel_module.details[parameter_name] if self.has_poly_error_column: # err column changes the indexing current_details[model_column-2] = value else: current_details[model_column-1] = value elif model_column == delegate.poly_function: # name of the function - just pass pass else: try: value = GuiUtils.toDouble(item.text()) except TypeError: # Can't be converted properly, bring back the old value and exit return # Update the sasmodel # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas if model_column not in delegate.columnDict(): return key = parameter_name + '.' + delegate.columnDict()[model_column] self.poly_params[key] = value # Update plot self.updateData() # update in param model if model_column in [delegate.poly_pd, delegate.poly_error, delegate.poly_min, delegate.poly_max]: row = self.getRowFromName(parameter_name) param_item = self._model_model.item(row).child(0).child(0, model_column) if param_item is None: return self._model_model.blockSignals(True) param_item.setText(item.text()) self._model_model.blockSignals(False)
[docs] def onMagnetModelChange(self, top, bottom): """ Callback method for updating the sasmodel magnetic parameters with the GUI values """ item = self._magnet_model.itemFromIndex(top) model_column = item.column() model_row = item.row() name_index = self._magnet_model.index(model_row, 0) parameter_name = str(self._magnet_model.data(name_index)) if model_column == 0: value = item.checkState() if value == QtCore.Qt.Checked: self.magnet_params_to_fit.append(parameter_name) else: if parameter_name in self.magnet_params_to_fit: self.magnet_params_to_fit.remove(parameter_name) self.cmdFit.setEnabled(self.haveParamsToFit()) # Update state stack self.updateUndo() return # Extract changed value. try: value = GuiUtils.toDouble(item.text()) except TypeError: # Unparsable field return delegate = self.lstMagnetic.itemDelegate() if model_column > 1: if model_column == delegate.mag_min: pos = 1 elif model_column == delegate.mag_max: pos = 2 elif model_column == delegate.mag_unit: pos = 0 else: raise AttributeError("Wrong column in magnetism table.") # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] self.kernel_module.details[parameter_name][pos] = value else: self.magnet_params[parameter_name] = value #self.kernel_module.setParam(parameter_name) = value # Force the chart update when actual parameters changed self.recalculatePlotData() # Update state stack self.updateUndo()
[docs] def onHelp(self): """ Show the "Fitting" section of help """ tree_location = "/user/qtgui/Perspectives/Fitting/" # Actual file will depend on the current tab tab_id = self.tabFitting.currentIndex() helpfile = "fitting.html" if tab_id == 0: # Look at the model and if set, pull out its help page if self.kernel_module is not None and hasattr(self.kernel_module, 'name'): # See if the help file is there # This breaks encapsulation a bit, though. full_path = GuiUtils.HELP_DIRECTORY_LOCATION sas_path = os.path.abspath(os.path.dirname(sys.argv[0])) location = sas_path + "/" + full_path location += "/user/models/" + self.kernel_module.id + ".html" if os.path.isfile(location): # We have HTML for this model - show it tree_location = "/user/models/" helpfile = self.kernel_module.id + ".html" else: helpfile = "fitting_help.html" elif tab_id == 1: helpfile = "residuals_help.html" elif tab_id == 2: helpfile = "resolution.html" elif tab_id == 3: helpfile = "pd/polydispersity.html" elif tab_id == 4: helpfile = "magnetism/magnetism.html" help_location = tree_location + helpfile self.showHelp(help_location)
[docs] def showHelp(self, url): """ Calls parent's method for opening an HTML page """ self.parent.showHelp(url)
[docs] def onDisplayMagneticAngles(self): """ Display a simple image showing direction of magnetic angles """ self.magneticAnglesWidget.show()
[docs] def onFit(self): """ Perform fitting on the current data """ if self.fit_started: self.stopFit() return # initialize fitter constants fit_id = 0 handler = None batch_inputs = {} batch_outputs = {} #--------------------------------- if LocalConfig.USING_TWISTED: handler = None updater = None else: handler = ConsoleUpdate(parent=self.parent, manager=self, improvement_delta=0.1) updater = handler.update_fit # Prepare the fitter object try: fitters, _ = self.prepareFitters() except ValueError as ex: # This should not happen! GUI explicitly forbids this situation self.communicate.statusBarUpdateSignal.emit(str(ex)) return # keep local copy of kernel parameters, as they will change during the update self.kernel_module_copy = copy.deepcopy(self.kernel_module) # Create the fitting thread, based on the fitter completefn = self.batchFittingCompleted if self.is_batch_fitting else self.fittingCompleted self.calc_fit = FitThread(handler=handler, fn=fitters, batch_inputs=batch_inputs, batch_outputs=batch_outputs, page_id=[[self.page_id]], updatefn=updater, completefn=completefn, reset_flag=self.is_chain_fitting) if LocalConfig.USING_TWISTED: # start the trhrhread with twisted calc_thread = threads.deferToThread(self.calc_fit.compute) calc_thread.addCallback(completefn) calc_thread.addErrback(self.fitFailed) else: # Use the old python threads + Queue self.calc_fit.queue() self.calc_fit.ready(2.5) self.communicate.statusBarUpdateSignal.emit('Fitting started...') self.fit_started = True # Disable some elements self.disableInteractiveElements()
[docs] def stopFit(self): """ Attempt to stop the fitting thread """ if self.calc_fit is None or not self.calc_fit.isrunning(): return self.calc_fit.stop() #re-enable the Fit button self.enableInteractiveElements() msg = "Fitting cancelled." self.communicate.statusBarUpdateSignal.emit(msg)
[docs] def updateFit(self): """ """ print("UPDATE FIT") pass
[docs] def fitFailed(self, reason): """ """ self.enableInteractiveElements() msg = "Fitting failed with: "+ str(reason) self.communicate.statusBarUpdateSignal.emit(msg)
[docs] def batchFittingCompleted(self, result): """ Send the finish message from calculate threads to main thread """ if result is None: result = tuple() self.batchFittingFinishedSignal.emit(result)
[docs] def batchFitComplete(self, result): """ Receive and display batch fitting results """ #re-enable the Fit button self.enableInteractiveElements() if len(result) == 0: msg = "Fitting failed." self.communicate.statusBarUpdateSignal.emit(msg) return # Show the grid panel page_name = "BatchPage" + str(self.tab_id) results = copy.deepcopy(result[0]) results.append(page_name) self.communicate.sendDataToGridSignal.emit(results) elapsed = result[1] msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) self.communicate.statusBarUpdateSignal.emit(msg) # Run over the list of results and update the items for res_index, res_list in enumerate(result[0]): # results res = res_list[0] param_dict = self.paramDictFromResults(res) # create local kernel_module kernel_module = FittingUtilities.updateKernelWithResults(self.kernel_module, param_dict) # pull out current data data = self._logic[res_index].data # Switch indexes self.data_index = res_index # Recompute Q ranges if self.data_is_loaded: self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() # Recalculate theories method = self.complete1D if isinstance(self.data, Data1D) else self.complete2D self.calculateQGridForModelExt(data=data, model=kernel_module, completefn=method, use_threads=False) # Restore original kernel_module, so subsequent fits on the same model don't pick up the new params if self.kernel_module is not None: self.kernel_module = copy.deepcopy(self.kernel_module_copy)
[docs] def paramDictFromResults(self, results): """ Given the fit results structure, pull out optimized parameters and return them as nicely formatted dict """ if results.fitness is None or \ not np.isfinite(results.fitness) or \ np.any(results.pvec is None) or \ not np.all(np.isfinite(results.pvec)): msg = "Fitting did not converge!" self.communicate.statusBarUpdateSignal.emit(msg) msg += results.mesg logger.error(msg) return param_list = results.param_list # ['radius', 'radius.width'] param_values = results.pvec # array([ 0.36221662, 0.0146783 ]) param_stderr = results.stderr # array([ 1.71293015, 1.71294233]) params_and_errors = list(zip(param_values, param_stderr)) param_dict = dict(zip(param_list, params_and_errors)) return param_dict
[docs] def fittingCompleted(self, result): """ Send the finish message from calculate threads to main thread """ if result is None: result = tuple() self.fittingFinishedSignal.emit(result)
[docs] def fitComplete(self, result): """ Receive and display fitting results "result" is a tuple of actual result list and the fit time in seconds """ #re-enable the Fit button self.enableInteractiveElements() if len(result) == 0: msg = "Fitting failed." self.communicate.statusBarUpdateSignal.emit(msg) return # Don't recalculate chi2 - it's in res.fitness already self.fitResults = True res_list = result[0][0] res = res_list[0] self.chi2 = res.fitness param_dict = self.paramDictFromResults(res) if param_dict is None: return # Show bumps convergence plots self.communicate.resultPlotUpdateSignal.emit(result[0]) elapsed = result[1] if self.calc_fit is not None and self.calc_fit._interrupting: msg = "Fitting cancelled by user after: %s s." % GuiUtils.formatNumber(elapsed) logger.warning("\n"+msg+"\n") else: msg = "Fitting completed successfully in: %s s." % GuiUtils.formatNumber(elapsed) self.communicate.statusBarUpdateSignal.emit(msg) # Dictionary of fitted parameter: value, error # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} self.updateModelFromList(param_dict) self.updatePolyModelFromList(param_dict) self.updateMagnetModelFromList(param_dict) # update charts self.onPlot() # Read only value - we can get away by just printing it here chi2_repr = GuiUtils.formatNumber(self.chi2, high=True) self.lblChi2Value.setText(chi2_repr)
[docs] def prepareFitters(self, fitter=None, fit_id=0): """ Prepare the Fitter object for use in fitting """ # fitter = None -> single/batch fitting # fitter = Fit() -> simultaneous fitting # Data going in data = self.logic.data model = copy.deepcopy(self.kernel_module) qmin = self.q_range_min qmax = self.q_range_max params_to_fit = copy.deepcopy(self.main_params_to_fit) if self.chkPolydispersity.isChecked(): params_to_fit += self.poly_params_to_fit if self.chkMagnetism.isChecked() and self.canHaveMagnetism(): params_to_fit += self.magnet_params_to_fit if not params_to_fit: raise ValueError('Fitting requires at least one parameter to optimize.') # Get the constraints. constraints = self.getComplexConstraintsForModel() if fitter is None: # For single fits - check for inter-model constraints constraints = self.getConstraintsForFitting() smearer = self.smearing_widget.smearer() handler = None batch_inputs = {} batch_outputs = {} fitters = [] # order datasets if chain fit order = self.all_data if self.is_chain_fitting: order = self.order_widget.ordering() for fit_index in order: fitter_single = Fit() if fitter is None else fitter data = GuiUtils.dataFromItem(fit_index) # Potential weights added directly to data weighted_data = self.addWeightingToData(data) try: fitter_single.set_model(model, fit_id, params_to_fit, data=weighted_data, constraints=constraints) except ValueError as ex: raise ValueError("Setting model parameters failed with: %s" % ex) fitter_single.set_data(data=weighted_data, id=fit_id, smearer=smearer, qmin=qmin, qmax=qmax) fitter_single.select_problem_for_fit(id=fit_id, value=1) if fitter is None: # Assign id to the new fitter only fitter_single.fitter_id = [self.page_id] fit_id += 1 fitters.append(fitter_single) return fitters, fit_id
[docs] def iterateOverModel(self, func): """ Take func and throw it inside the model row loop """ for row_i in range(self._model_model.rowCount()): func(row_i)
[docs] def updateModelFromList(self, param_dict): """ Update the model with new parameters, create the errors column """ assert isinstance(param_dict, dict) if not dict: return def updateFittedValues(row): # Utility function for main model update # internal so can use closure for param_dict param_name = str(self._model_model.item(row, 0).text()) if not self.isCheckable(row) or param_name not in list(param_dict.keys()): return # modify the param value param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) self._model_model.item(row, 1).setText(param_repr) self.kernel_module.setParam(param_name, param_dict[param_name][0]) if self.has_error_column: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) self._model_model.item(row, 2).setText(error_repr) def updatePolyValues(row): # Utility function for updateof polydispersity part of the main model param_name = str(self._model_model.item(row, 0).text())+'.width' if not self.isCheckable(row) or param_name not in list(param_dict.keys()): return # modify the param value param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr) # modify the param error if self.has_error_column: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) self._model_model.item(row, 0).child(0).child(0,2).setText(error_repr) def createErrorColumn(row): # Utility function for error column update item = QtGui.QStandardItem() def createItem(param_name): if param_name not in self.main_params_to_fit: error_repr = "" else: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) item.setText(error_repr) def curr_param(): return str(self._model_model.item(row, 0).text()) [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name] error_column.append(item) def createPolyErrorColumn(row): # Utility function for error column update in the polydispersity sub-rows # NOTE: only creates empty items; updatePolyValues adds the error value item = self._model_model.item(row, 0) if not item.hasChildren(): return poly_item = item.child(0) if not poly_item.hasChildren(): return poly_item.insertColumn(2, [QtGui.QStandardItem("")]) def deletePolyErrorColumn(row): # Utility function for error column removal in the polydispersity sub-rows item = self._model_model.item(row, 0) if not item.hasChildren(): return poly_item = item.child(0) if not poly_item.hasChildren(): return poly_item.removeColumn(2) if self.has_error_column: # remove previous entries self._model_model.removeColumn(2) self.iterateOverModel(deletePolyErrorColumn) #if not self.has_error_column: # create top-level error column error_column = [] self.lstParams.itemDelegate().addErrorColumn() self.iterateOverModel(createErrorColumn) self._model_model.insertColumn(2, error_column) FittingUtilities.addErrorHeadersToModel(self._model_model) # create error column in polydispersity sub-rows self.iterateOverModel(createPolyErrorColumn) self.has_error_column = True # block signals temporarily, so we don't end up # updating charts with every single model change on the end of fitting self._model_model.dataChanged.disconnect() self.iterateOverModel(updateFittedValues) self.iterateOverModel(updatePolyValues) self._model_model.dataChanged.connect(self.onMainParamsChange)
[docs] def iterateOverPolyModel(self, func): """ Take func and throw it inside the poly model row loop """ for row_i in range(self._poly_model.rowCount()): func(row_i)
[docs] def updatePolyModelFromList(self, param_dict): """ Update the polydispersity model with new parameters, create the errors column """ assert isinstance(param_dict, dict) if not dict: return def updateFittedValues(row_i): # Utility function for main model update # internal so can use closure for param_dict if row_i >= self._poly_model.rowCount(): return param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' if param_name not in list(param_dict.keys()): return # modify the param value param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) self._poly_model.item(row_i, 1).setText(param_repr) self.kernel_module.setParam(param_name, param_dict[param_name][0]) if self.has_poly_error_column: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) self._poly_model.item(row_i, 2).setText(error_repr) def createErrorColumn(row_i): # Utility function for error column update if row_i >= self._poly_model.rowCount(): return item = QtGui.QStandardItem() def createItem(param_name): if param_name in self.poly_params_to_fit: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) else: error_repr = "" item.setText(error_repr) def poly_param(): return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' [createItem(param_name) for param_name in list(param_dict.keys()) if poly_param() == param_name] error_column.append(item) self.iterateOverPolyModel(updateFittedValues) if self.has_poly_error_column: self._poly_model.removeColumn(2) self.lstPoly.itemDelegate().addErrorColumn() error_column = [] self.iterateOverPolyModel(createErrorColumn) # switch off reponse to model change self._poly_model.insertColumn(2, error_column) FittingUtilities.addErrorPolyHeadersToModel(self._poly_model) self.has_poly_error_column = True
[docs] def iterateOverMagnetModel(self, func): """ Take func and throw it inside the magnet model row loop """ for row_i in range(self._magnet_model.rowCount()): func(row_i)
[docs] def updateMagnetModelFromList(self, param_dict): """ Update the magnetic model with new parameters, create the errors column """ assert isinstance(param_dict, dict) if not dict: return if self._magnet_model.rowCount() == 0: return def updateFittedValues(row): # Utility function for main model update # internal so can use closure for param_dict if self._magnet_model.item(row, 0) is None: return param_name = str(self._magnet_model.item(row, 0).text()) if param_name not in list(param_dict.keys()): return # modify the param value param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) self._magnet_model.item(row, 1).setText(param_repr) self.kernel_module.setParam(param_name, param_dict[param_name][0]) if self.has_magnet_error_column: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) self._magnet_model.item(row, 2).setText(error_repr) def createErrorColumn(row): # Utility function for error column update item = QtGui.QStandardItem() def createItem(param_name): if param_name in self.magnet_params_to_fit: error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) else: error_repr = "" item.setText(error_repr) def curr_param(): return str(self._magnet_model.item(row, 0).text()) [createItem(param_name) for param_name in list(param_dict.keys()) if curr_param() == param_name] error_column.append(item) self.iterateOverMagnetModel(updateFittedValues) if self.has_magnet_error_column: self._magnet_model.removeColumn(2) self.lstMagnetic.itemDelegate().addErrorColumn() error_column = [] self.iterateOverMagnetModel(createErrorColumn) # switch off reponse to model change self._magnet_model.insertColumn(2, error_column) FittingUtilities.addErrorHeadersToModel(self._magnet_model) self.has_magnet_error_column = True
[docs] def onPlot(self): """ Plot the current set of data """ # Regardless of previous state, this should now be `plot show` functionality only self.cmdPlot.setText("Show Plot") # Force data recalculation so existing charts are updated if not self.data_is_loaded: self.showTheoryPlot() else: self.showPlot() # This is an important processEvent. # This allows charts to be properly updated in order # of plots being applied. QtWidgets.QApplication.processEvents() self.recalculatePlotData() # recalc+plot theory again (2nd)
[docs] def onSmearingOptionsUpdate(self): """ React to changes in the smearing widget """ # update display smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() self.lblCurrentSmearing.setText(smearing) self.calculateQGridForModel()
[docs] def recalculatePlotData(self): """ Generate a new dataset for model """ if not self.data_is_loaded: self.createDefaultDataset() self.smearing_widget.updateData(self.data) self.calculateQGridForModel()
[docs] def showTheoryPlot(self): """ Show the current theory plot in MPL """ # Show the chart if ready if self.theory_item is None: self.recalculatePlotData() elif self.model_data: self._requestPlots(self.model_data.filename, self.theory_item.model())
[docs] def showPlot(self): """ Show the current plot in MPL """ # Show the chart if ready data_to_show = self.data # Any models for this page current_index = self.all_data[self.data_index] item = self._requestPlots(self.data.filename, current_index.model()) if item: # fit+data has not been shown - show just data self.communicate.plotRequestedSignal.emit([item, data_to_show], self.tab_id)
def _requestPlots(self, item_name, item_model): """ Emits plotRequestedSignal for all plots found in the given model under the provided item name. """ fitpage_name = self.kernel_module.name plots = GuiUtils.plotsFromFilename(item_name, item_model) # Has the fitted data been shown? data_shown = False item = None for item, plot in plots.items(): if fitpage_name in plot.name: data_shown = True self.communicate.plotRequestedSignal.emit([item, plot], self.tab_id) # return the last data item seen, if nothing was plotted; supposed to be just data) return None if data_shown else item
[docs] def onOptionsUpdate(self): """ Update local option values and replot """ self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ self.options_widget.state() # set Q range labels on the main tab self.lblMinRangeDef.setText(GuiUtils.formatNumber(self.q_range_min, high=True)) self.lblMaxRangeDef.setText(GuiUtils.formatNumber(self.q_range_max, high=True)) self.recalculatePlotData()
[docs] def setDefaultStructureCombo(self): """ Fill in the structure factors combo box with defaults """ structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) factors = [factor[0] for factor in structure_factor_list] factors.insert(0, STRUCTURE_DEFAULT) self.cbStructureFactor.clear() self.cbStructureFactor.addItems(sorted(factors))
[docs] def createDefaultDataset(self): """ Generate default Dataset 1D/2D for the given model """ # Create default datasets if no data passed if self.is2D: qmax = self.q_range_max/np.sqrt(2) qstep = self.npts self.logic.createDefault2dData(qmax, qstep, self.tab_id) return elif self.log_points: qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) else: interval = np.linspace(start=self.q_range_min, stop=self.q_range_max, num=self.npts, endpoint=True) self.logic.createDefault1dData(interval, self.tab_id)
[docs] def readCategoryInfo(self): """ Reads the categories in from file """ self.master_category_dict = defaultdict(list) self.by_model_dict = defaultdict(list) self.model_enabled_dict = defaultdict(bool) categorization_file = CategoryInstaller.get_user_file() if not os.path.isfile(categorization_file): categorization_file = CategoryInstaller.get_default_file() with open(categorization_file, 'rb') as cat_file: self.master_category_dict = json.load(cat_file) self.regenerateModelDict() # Load the model dict models = load_standard_models() for model in models: self.models[model.name] = model self.readCustomCategoryInfo()
[docs] def readCustomCategoryInfo(self): """ Reads the custom model category """ #Looking for plugins self.plugins = list(self.custom_models.values()) plugin_list = [] for name, plug in self.custom_models.items(): self.models[name] = plug plugin_list.append([name, True]) if plugin_list: self.master_category_dict[CATEGORY_CUSTOM] = plugin_list
[docs] def regenerateModelDict(self): """ Regenerates self.by_model_dict which has each model name as the key and the list of categories belonging to that model along with the enabled mapping """ self.by_model_dict = defaultdict(list) for category in self.master_category_dict: for (model, enabled) in self.master_category_dict[category]: self.by_model_dict[model].append(category) self.model_enabled_dict[model] = enabled
[docs] def addBackgroundToModel(self, model): """ Adds background parameter with default values to the model """ assert isinstance(model, QtGui.QStandardItemModel) checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] FittingUtilities.addCheckedListToModel(model, checked_list) last_row = model.rowCount()-1 model.item(last_row, 0).setEditable(False) model.item(last_row, 4).setEditable(False)
[docs] def addScaleToModel(self, model): """ Adds scale parameter with default values to the model """ assert isinstance(model, QtGui.QStandardItemModel) checked_list = ['scale', '1.0', '0.0', 'inf', ''] FittingUtilities.addCheckedListToModel(model, checked_list) last_row = model.rowCount()-1 model.item(last_row, 0).setEditable(False) model.item(last_row, 4).setEditable(False)
[docs] def addWeightingToData(self, data): """ Adds weighting contribution to fitting data """ new_data = copy.deepcopy(data) # Send original data for weighting weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) if self.is2D: new_data.err_data = weight else: new_data.dy = weight return new_data
[docs] def updateQRange(self): """ Updates Q Range display """ if self.data_is_loaded: self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() # set Q range labels on the main tab self.lblMinRangeDef.setText(GuiUtils.formatNumber(self.q_range_min, high=True)) self.lblMaxRangeDef.setText(GuiUtils.formatNumber(self.q_range_max, high=True)) # set Q range labels on the options tab self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts)
[docs] def SASModelToQModel(self, model_name, structure_factor=None): """ Setting model parameters into table based on selected category """ # Crete/overwrite model items self._model_model.clear() self._poly_model.clear() self._magnet_model.clear() if model_name is None: if structure_factor not in (None, "None"): # S(Q) on its own, treat the same as a form factor self.kernel_module = None self.fromStructureFactorToQModel(structure_factor) else: # No models selected return else: self.fromModelToQModel(model_name) self.addExtraShells() # Allow the SF combobox visibility for the given sasmodel self.enableStructureFactorControl(structure_factor) # Add S(Q) if self.cbStructureFactor.isEnabled(): structure_factor = self.cbStructureFactor.currentText() self.fromStructureFactorToQModel(structure_factor) # Add polydispersity to the model self.poly_params = {} self.setPolyModel() # Add magnetic parameters to the model self.magnet_params = {} self.setMagneticModel() # Now we claim the model has been loaded self.model_is_loaded = True # Change the model name to a monicker self.kernel_module.name = self.modelName() # Update the smearing tab self.smearing_widget.updateKernelModel(kernel_model=self.kernel_module) # (Re)-create headers FittingUtilities.addHeadersToModel(self._model_model) self.lstParams.header().setFont(self.boldFont)
[docs] def fromModelToQModel(self, model_name): """ Setting model parameters into QStandardItemModel based on selected model """ name = model_name kernel_module = None if self.cbCategory.currentText() == CATEGORY_CUSTOM: # custom kernel load requires full path name = os.path.join(models.find_plugins_dir(), model_name+".py") try: kernel_module = generate.load_kernel_module(name) except ModuleNotFoundError as ex: pass except FileNotFoundError as ex: # can happen when name attribute not the same as actual filename pass if kernel_module is None: # mismatch between "name" attribute and actual filename. curr_model = self.models[model_name] name, _ = os.path.splitext(os.path.basename(curr_model.filename)) try: kernel_module = generate.load_kernel_module(name) except ModuleNotFoundError as ex: logger.error("Can't find the model "+ str(ex)) return if hasattr(kernel_module, 'parameters'): # built-in and custom models self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) elif hasattr(kernel_module, 'model_info'): # for sum/multiply models self.model_parameters = kernel_module.model_info.parameters elif hasattr(kernel_module, 'Model') and hasattr(kernel_module.Model, "_model_info"): # this probably won't work if there's no model_info, but just in case self.model_parameters = kernel_module.Model._model_info.parameters else: # no parameters - default to blank table msg = "No parameters found in model '{}'.".format(model_name) logger.warning(msg) self.model_parameters = modelinfo.ParameterTable([]) # Instantiate the current sasmodel self.kernel_module = self.models[model_name]() # Change the model name to a monicker self.kernel_module.name = self.modelName() # Explicitly add scale and background with default values temp_undo_state = self.undo_supported self.undo_supported = False self.addScaleToModel(self._model_model) self.addBackgroundToModel(self._model_model) self.undo_supported = temp_undo_state self.shell_names = self.shellNamesList() # Add heading row FittingUtilities.addHeadingRowToModel(self._model_model, model_name) # Update the QModel FittingUtilities.addParametersToModel( self.model_parameters, self.kernel_module, self.is2D, self._model_model, self.lstParams)
[docs] def fromStructureFactorToQModel(self, structure_factor): """ Setting model parameters into QStandardItemModel based on selected structure factor """ if structure_factor is None or structure_factor=="None": return product_params = None kernel_module = self.models[structure_factor]() if self.kernel_module is None: self.kernel_module = kernel_module # Structure factor is the only selected model; build it and show all its params self.kernel_module.name = self.modelName() s_params = self.kernel_module._model_info.parameters else: # Assure we only have one volfraction shown s_params, product_params = self._volfraction_hack(kernel_module) # Add heading row FittingUtilities.addHeadingRowToModel(self._model_model, structure_factor) # Get new rows for QModel # Any renamed parameters are stored as data in the relevant item, for later handling FittingUtilities.addSimpleParametersToModel( parameters=s_params, is2D=self.is2D, parameters_original=None, model=self._model_model, view=self.lstParams) # Insert product-only params into QModel if product_params: prod_rows = FittingUtilities.addSimpleParametersToModel( parameters=product_params, is2D=self.is2D, parameters_original=None, model=self._model_model, view=self.lstParams, row_num=2) # Since this all happens after shells are dealt with and we've inserted rows, fix this counter self._n_shells_row += len(prod_rows)
def _volfraction_hack(self, s_kernel): """ Only show volfraction once if it appears in both P and S models. Issues SV:1280, SV:1295, SM:219, SM:199, SM:101 """ from sasmodels.product import VOLFRAC_ID, RADIUS_ID, RADIUS_MODE_ID, STRUCTURE_MODE_ID product_params = None p_kernel = self.kernel_module # need to reset multiplicity to get the right product if p_kernel.is_multiplicity_model: p_kernel.multiplicity = p_kernel.multiplicity_info.number self.kernel_module = MultiplicationModel(p_kernel, s_kernel) # Modify the name to correspond to shown items self.kernel_module.name = self.modelName() # TODO: set model layout in sasmodels info = self.kernel_module._model_info p_info = p_kernel._model_info s_info = s_kernel._model_info def par_index(info, key): for k, p in enumerate(info.parameters.kernel_parameters): if p.id == key: return k return -1 p_volfrac_id = par_index(p_info, VOLFRAC_ID) s_volfrac_id = par_index(s_info, VOLFRAC_ID) s_pars = s_info.parameters.kernel_parameters[:] if p_volfrac_id >= 0 and s_volfrac_id >= 0: del s_pars[s_volfrac_id] er_mode_id = par_index(info, RADIUS_MODE_ID) interaction_mode_id = par_index(info, STRUCTURE_MODE_ID) extras = [] if interaction_mode_id >= 0: extras.append(info.parameters.kernel_parameters[interaction_mode_id]) if er_mode_id >= 0: extras.append(info.parameters.kernel_parameters[er_mode_id]) s_params = modelinfo.ParameterTable(s_pars) product_params = modelinfo.ParameterTable(extras) return (s_params, product_params)
[docs] def haveParamsToFit(self): """ Finds out if there are any parameters ready to be fitted """ if not self.logic.data_is_loaded: return False if self.main_params_to_fit: return True if self.chkPolydispersity.isChecked() and self.poly_params_to_fit: return True if self.chkMagnetism.isChecked() and self.canHaveMagnetism() and self.magnet_params_to_fit: return True return False
[docs] def onMainParamsChange(self, top, bottom): """ Callback method for updating the sasmodel parameters with the GUI values """ item = self._model_model.itemFromIndex(top) model_column = item.column() if model_column == 0: self.checkboxSelected(item) self.cmdFit.setEnabled(self.haveParamsToFit()) # Update state stack self.updateUndo() return model_row = item.row() name_index = self._model_model.index(model_row, 0) name_item = self._model_model.itemFromIndex(name_index) # Extract changed value. try: value = GuiUtils.toDouble(item.text()) except TypeError: # Unparsable field return # if the item has user data, this is the actual parameter name (e.g. to handle duplicate names) if name_item.data(QtCore.Qt.UserRole): parameter_name = str(name_item.data(QtCore.Qt.UserRole)) else: parameter_name = str(self._model_model.data(name_index)) # Update the parameter value - note: this supports +/-inf as well param_column = self.lstParams.itemDelegate().param_value min_column = self.lstParams.itemDelegate().param_min max_column = self.lstParams.itemDelegate().param_max if model_column == param_column: # don't try to update multiplicity counters if they aren't there. # Note that this will fail for proper bad update where the model # doesn't contain multiplicity parameter self.kernel_module.setParam(parameter_name, value) elif model_column == min_column: # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] self.kernel_module.details[parameter_name][1] = value elif model_column == max_column: self.kernel_module.details[parameter_name][2] = value else: # don't update the chart return # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value # TODO: multishell params in self.kernel_module.details[??] = value # handle display of effective radius parameter according to radius_effective_mode; pass ER into model if # necessary self.processEffectiveRadius() # Force the chart update when actual parameters changed if model_column == 1: self.recalculatePlotData() # Update state stack self.updateUndo()
[docs] def processEffectiveRadius(self): """ Checks the value of radius_effective_mode, if existent, and processes radius_effective as necessary. * mode == 0: This means 'unconstrained'; ensure use can specify ER. * mode > 0: This means it is constrained to a P(Q)-computed value in sasmodels; prevent user from editing ER. Note: If ER has been computed, it is passed back to SasView as an intermediate result. That value must be displayed for the user; that is not dealt with here, but in complete1D. """ ER_row = self.getRowFromName("radius_effective") if ER_row is None: return ER_mode_row = self.getRowFromName("radius_effective_mode") if ER_mode_row is None: return try: ER_mode = int(self._model_model.item(ER_mode_row, 1).text()) except ValueError: logging.error("radius_effective_mode was set to an invalid value.") return if ER_mode == 0: # ensure the ER value can be modified by user self.setParamEditableByRow(ER_row, True) elif ER_mode > 0: # ensure the ER value cannot be modified by user self.setParamEditableByRow(ER_row, False) else: logging.error("radius_effective_mode was set to an invalid value.")
[docs] def setParamEditableByRow(self, row, editable=True): """ Sets whether the user can edit a parameter in the table. If they cannot, the parameter name's font is changed, the value itself cannot be edited if clicked on, and the parameter may not be fitted. """ item_name = self._model_model.item(row, 0) item_value = self._model_model.item(row, 1) item_value.setEditable(editable) if editable: # reset font item_name.setFont(QtGui.QFont()) # reset colour item_name.setForeground(QtGui.QBrush()) # make checkable item_name.setCheckable(True) else: # change font font = QtGui.QFont() font.setItalic(True) item_name.setFont(font) # change colour item_name.setForeground(QtGui.QBrush(QtGui.QColor(50, 50, 50))) # make not checkable (and uncheck) item_name.setCheckState(QtCore.Qt.Unchecked) item_name.setCheckable(False)
[docs] def isCheckable(self, row): return self._model_model.item(row, 0).isCheckable()
[docs] def selectCheckbox(self, row): """ Select the checkbox in given row. """ assert 0<= row <= self._model_model.rowCount() index = self._model_model.index(row, 0) item = self._model_model.itemFromIndex(index) item.setCheckState(QtCore.Qt.Checked)
[docs] def checkboxSelected(self, item): # Assure we're dealing with checkboxes if not item.isCheckable(): return status = item.checkState() # If multiple rows selected - toggle all of them, filtering uncheckable # Convert to proper indices and set requested enablement self.setParameterSelection(status) # update the list of parameters to fit self.main_params_to_fit = self.checkedListFromModel(self._model_model)
[docs] def checkedListFromModel(self, model): """ Returns list of checked parameters for given model """ def isChecked(row): return model.item(row, 0).checkState() == QtCore.Qt.Checked return [str(model.item(row_index, 0).text()) for row_index in range(model.rowCount()) if isChecked(row_index)]
[docs] def createNewIndex(self, fitted_data): """ Create a model or theory index with passed Data1D/Data2D """ if self.data_is_loaded: if not fitted_data.name: name = self.nameForFittedData(self.data.filename) fitted_data.title = name fitted_data.name = name fitted_data.filename = name fitted_data.symbol = "Line" self.updateModelIndex(fitted_data) else: if not fitted_data.name: name = self.nameForFittedData(self.kernel_module.id) else: name = fitted_data.name fitted_data.title = name fitted_data.filename = name fitted_data.symbol = "Line" self.createTheoryIndex(fitted_data) # Switch to the theory tab for user's glee self.communicate.changeDataExplorerTabSignal.emit(1)
[docs] def updateModelIndex(self, fitted_data): """ Update a QStandardModelIndex containing model data """ name = self.nameFromData(fitted_data) # Make this a line if no other defined if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: fitted_data.symbol = 'Line' # Notify the GUI manager so it can update the main model in DataExplorer GuiUtils.updateModelItemWithPlot(self.all_data[self.data_index], fitted_data, name)
[docs] def createTheoryIndex(self, fitted_data): """ Create a QStandardModelIndex containing model data """ name = self.nameFromData(fitted_data) # Modify the item or add it if new theory_item = GuiUtils.createModelItemWithPlot(fitted_data, name=name) self.communicate.updateTheoryFromPerspectiveSignal.emit(theory_item)
[docs] def setTheoryItem(self, item): """ Reset the theory item based on the data explorer update """ self.theory_item = item
[docs] def nameFromData(self, fitted_data): """ Return name for the dataset. Terribly impure function. """ if fitted_data.name is None: name = self.nameForFittedData(self.logic.data.filename) fitted_data.title = name fitted_data.name = name fitted_data.filename = name else: name = fitted_data.name return name
[docs] def methodCalculateForData(self): '''return the method for data calculation''' return Calc1D if isinstance(self.data, Data1D) else Calc2D
[docs] def methodCompleteForData(self): '''return the method for result parsin on calc complete ''' return self.completed1D if isinstance(self.data, Data1D) else self.completed2D
[docs] def updateKernelModelWithExtraParams(self, model=None): """ Updates kernel model 'model' with extra parameters from the polydisp and magnetism tab, if the tabs are enabled """ if model is None: return if not hasattr(model, 'setParam'): return # add polydisperse parameters if asked if self.chkPolydispersity.isChecked() and self._poly_model.rowCount() > 0: for key, value in self.poly_params.items(): model.setParam(key, value) # add magnetic params if asked if self.chkMagnetism.isChecked() and self.canHaveMagnetism() and self._magnet_model.rowCount() > 0: for key, value in self.magnet_params.items(): model.setParam(key, value)
[docs] def calculateQGridForModelExt(self, data=None, model=None, completefn=None, use_threads=True): """ Wrapper for Calc1D/2D calls """ if data is None: data = self.data if model is None: model = copy.deepcopy(self.kernel_module) self.updateKernelModelWithExtraParams(model) if completefn is None: completefn = self.methodCompleteForData() smearer = self.smearing_widget.smearer() weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) # Disable buttons/table self.disableInteractiveElementsOnCalculate() # Awful API to a backend method. calc_thread = self.methodCalculateForData()(data=data, model=model, page_id=0, qmin=self.q_range_min, qmax=self.q_range_max, smearer=smearer, state=None, weight=weight, fid=None, toggle_mode_on=False, completefn=completefn, update_chisqr=True, exception_handler=self.calcException, source=None) if use_threads: if LocalConfig.USING_TWISTED: # start the thread with twisted thread = threads.deferToThread(calc_thread.compute) thread.addCallback(completefn) thread.addErrback(self.calculateDataFailed) else: # Use the old python threads + Queue calc_thread.queue() calc_thread.ready(2.5) else: results = calc_thread.compute() completefn(results)
[docs] def calculateQGridForModel(self): """ Prepare the fitting data object, based on current ModelModel """ if self.kernel_module is None: return self.calculateQGridForModelExt()
[docs] def calculateDataFailed(self, reason): """ Thread returned error """ # Bring the GUI to normal state self.enableInteractiveElements() print("Calculate Data failed with ", reason)
[docs] def completed1D(self, return_data): self.Calc1DFinishedSignal.emit(return_data)
[docs] def completed2D(self, return_data): self.Calc2DFinishedSignal.emit(return_data)
def _appendPlotsPolyDisp(self, new_plots, return_data, fitted_data): """ Internal helper for 1D and 2D for creating plots of the polydispersity distribution for parameters which have a polydispersity enabled. """ for plot in FittingUtilities.plotPolydispersities(return_data.get('model', None)): data_id = fitted_data.id.split() plot.id = "{} [{}] {}".format(data_id[0], plot.name, " ".join(data_id[1:])) data_name = fitted_data.name.split() plot.name = " ".join([data_name[0], plot.name] + data_name[1:]) self.createNewIndex(plot) new_plots.append(plot)
[docs] def complete1D(self, return_data): """ Plot the current 1D data """ # Bring the GUI to normal state self.enableInteractiveElements() if return_data is None: return fitted_data = self.logic.new1DPlot(return_data, self.tab_id) # Fits of Sesans data are in real space if return_data["data"].isSesans: fitted_data.xtransform="x" fitted_data.ytransform="y" # assure the current index is set properly for batch if len(self._logic) > 1: for i, logic in enumerate(self._logic): if logic.data.name in fitted_data.name: self.data_index = i residuals = self.calculateResiduals(fitted_data) self.model_data = fitted_data new_plots = [fitted_data] if residuals is not None: new_plots.append(residuals) if self.data_is_loaded: # delete any plots associated with the data that were not updated # (e.g. to remove beta(Q), S_eff(Q)) GuiUtils.deleteRedundantPlots(self.all_data[self.data_index], new_plots) pass else: # delete theory items for the model, in order to get rid of any # redundant items, e.g. beta(Q), S_eff(Q) self.communicate.deleteIntermediateTheoryPlotsSignal.emit(self.kernel_module.id) self._appendPlotsPolyDisp(new_plots, return_data, fitted_data) # Create plots for intermediate product data plots = self.logic.new1DProductPlots(return_data, self.tab_id) for plot in plots: plot.symbol = "Line" self.createNewIndex(plot) new_plots.append(plot) for plot in new_plots: self.communicate.plotUpdateSignal.emit([plot]) QtWidgets.QApplication.processEvents() # Update radius_effective if relevant self.updateEffectiveRadius(return_data)
[docs] def complete2D(self, return_data): """ Plot the current 2D data """ # Bring the GUI to normal state self.enableInteractiveElements() if return_data is None: return fitted_data = self.logic.new2DPlot(return_data) # assure the current index is set properly for batch if len(self._logic) > 1: for i, logic in enumerate(self._logic): if logic.data.name in fitted_data.name: self.data_index = i residuals = self.calculateResiduals(fitted_data) self.model_data = fitted_data new_plots = [fitted_data] if residuals is not None: new_plots.append(residuals) self._appendPlotsPolyDisp(new_plots, return_data, fitted_data) # Update/generate plots for plot in new_plots: self.communicate.plotUpdateSignal.emit([plot])
[docs] def updateEffectiveRadius(self, return_data): """ Given return data from sasmodels, update the effective radius parameter in the GUI table with the new calculated value as returned by sasmodels (if the value was returned). """ ER_mode_row = self.getRowFromName("radius_effective_mode") if ER_mode_row is None: return try: ER_mode = int(self._model_model.item(ER_mode_row, 1).text()) except ValueError: logging.error("radius_effective_mode was set to an invalid value.") return if ER_mode < 1: # does not need updating if it is not being computed return ER_row = self.getRowFromName("radius_effective") if ER_row is None: return scalar_results = self.logic.getScalarIntermediateResults(return_data) ER_value = scalar_results.get("radius_effective") if ER_value is None: return # ensure the model does not recompute when updating the value self._model_model.blockSignals(True) self._model_model.item(ER_row, 1).setText(str(ER_value)) self._model_model.blockSignals(False) # ensure the view is updated immediately self._model_model.layoutChanged.emit()
[docs] def calculateResiduals(self, fitted_data): """ Calculate and print Chi2 and display chart of residuals. Returns residuals plot object. """ # Create a new index for holding data fitted_data.symbol = "Line" # Modify fitted_data with weighting weighted_data = self.addWeightingToData(fitted_data) self.createNewIndex(weighted_data) # Plot residuals if actual data if not self.data_is_loaded: return # Calculate difference between return_data and logic.data weights = FittingUtilities.getWeight(self.data, self.is2D, flag = self.weighting) # Recalculate chi2 only for manual parameter change, not after fitting if not self.fitResults: self.chi2 = FittingUtilities.calculateChi2(weighted_data, self.data, weights) # Update the control chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True) self.lblChi2Value.setText(chi2_repr) self.fitResults = False residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data, weights) if residuals_plot is None: return residuals_plot.id = "Residual " + residuals_plot.id residuals_plot.plot_role = Data1D.ROLE_RESIDUAL self.createNewIndex(residuals_plot) return residuals_plot
[docs] def onCategoriesChanged(self): """ Reload the category/model comboboxes """ # Store the current combo indices current_cat = self.cbCategory.currentText() current_model = self.cbModel.currentText() # reread the category file and repopulate the combo self.cbCategory.blockSignals(True) self.cbCategory.clear() self.readCategoryInfo() self.initializeCategoryCombo() # Scroll back to the original index in Categories new_index = self.cbCategory.findText(current_cat) if new_index != -1: self.cbCategory.setCurrentIndex(new_index) self.cbCategory.blockSignals(False) # ...and in the Models self.cbModel.blockSignals(True) new_index = self.cbModel.findText(current_model) if new_index != -1: self.cbModel.setCurrentIndex(new_index) self.cbModel.blockSignals(False) return
[docs] def calcException(self, etype, value, tb): """ Thread threw an exception. """ # Bring the GUI to normal state self.enableInteractiveElements() # TODO: remimplement thread cancellation logger.error("".join(traceback.format_exception(etype, value, tb)))
[docs] def setTableProperties(self, table): """ Setting table properties """ # Table properties table.verticalHeader().setVisible(False) table.setAlternatingRowColors(True) table.setSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Expanding) table.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows) table.resizeColumnsToContents() # Header header = table.horizontalHeader() header.setSectionResizeMode(QtWidgets.QHeaderView.ResizeToContents) header.ResizeMode(QtWidgets.QHeaderView.Interactive)
# Qt5: the following 2 lines crash - figure out why! # Resize column 0 and 7 to content #header.setSectionResizeMode(0, QtWidgets.QHeaderView.ResizeToContents) #header.setSectionResizeMode(7, QtWidgets.QHeaderView.ResizeToContents)
[docs] def setPolyModel(self): """ Set polydispersity values """ if not self.model_parameters: return self._poly_model.clear() parameters = self.model_parameters.form_volume_parameters if self.is2D: parameters += self.model_parameters.orientation_parameters [self.setPolyModelParameters(i, param) for i, param in \ enumerate(parameters) if param.polydisperse] FittingUtilities.addPolyHeadersToModel(self._poly_model)
[docs] def setPolyModelParameters(self, i, param): """ Standard of multishell poly parameter driver """ param_name = param.name # see it the parameter is multishell if '[' in param.name: # Skip empty shells if self.current_shell_displayed == 0: return else: # Create as many entries as current shells for ishell in range(1, self.current_shell_displayed+1): # Remove [n] and add the shell numeral name = param_name[0:param_name.index('[')] + str(ishell) self.addNameToPolyModel(i, name) else: # Just create a simple param entry self.addNameToPolyModel(i, param_name)
[docs] def addNameToPolyModel(self, i, param_name): """ Creates a checked row in the poly model with param_name """ # Polydisp. values from the sasmodel param_wname = param_name + '.width' width = self.kernel_module.getParam(param_wname) npts = self.kernel_module.getParam(param_name + '.npts') nsigs = self.kernel_module.getParam(param_name + '.nsigmas') _, min, max = self.kernel_module.details[param_wname] # Update local param dict self.poly_params[param_wname] = width self.poly_params[param_name + '.npts'] = npts self.poly_params[param_name + '.nsigmas'] = nsigs # Construct a row with polydisp. related variable. # This will get added to the polydisp. model # Note: last argument needs extra space padding for decent display of the control checked_list = ["Distribution of " + param_name, str(width), str(min), str(max), str(npts), str(nsigs), "gaussian ",''] FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) # All possible polydisp. functions as strings in combobox func = QtWidgets.QComboBox() func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.keys()]) # Set the default index func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION)) ind = self._poly_model.index(i,self.lstPoly.itemDelegate().poly_function) self.lstPoly.setIndexWidget(ind, func) func.currentIndexChanged.connect(lambda: self.onPolyComboIndexChange(str(func.currentText()), i))
[docs] def onPolyFilenameChange(self, row_index): """ Respond to filename_updated signal from the delegate """ # For the given row, invoke the "array" combo handler array_caption = 'array' # Get the combo box reference ind = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) widget = self.lstPoly.indexWidget(ind) # Update the combo box so it displays "array" widget.blockSignals(True) widget.setCurrentIndex(self.lstPoly.itemDelegate().POLYDISPERSE_FUNCTIONS.index(array_caption)) widget.blockSignals(False) # Invoke the file reader self.onPolyComboIndexChange(array_caption, row_index)
[docs] def onPolyComboIndexChange(self, combo_string, row_index): """ Modify polydisp. defaults on function choice """ # Get npts/nsigs for current selection param = self.model_parameters.form_volume_parameters[row_index] file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_function) combo_box = self.lstPoly.indexWidget(file_index) try: self.disp_model = POLYDISPERSITY_MODELS[combo_string]() except IndexError: logger.error("Error in setting the dispersion model. Reverting to Gaussian.") self.disp_model = POLYDISPERSITY_MODELS['gaussian']() def updateFunctionCaption(row): # Utility function for update of polydispersity function name in the main model if not self.isCheckable(row): return param_name = self._model_model.item(row, 0).text() if param_name != param.name: return # Modify the param value self._model_model.blockSignals(True) if self.has_error_column: # err column changes the indexing self._model_model.item(row, 0).child(0).child(0,5).setText(combo_string) else: self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string) self._model_model.blockSignals(False) if combo_string == 'array': try: # assure the combo is at the right index combo_box.blockSignals(True) combo_box.setCurrentIndex(combo_box.findText(combo_string)) combo_box.blockSignals(False) # Load the file self.loadPolydispArray(row_index) # Update main model for display self.iterateOverModel(updateFunctionCaption) self.kernel_module.set_dispersion(param.name, self.disp_model) # uncheck the parameter self._poly_model.item(row_index, 0).setCheckState(QtCore.Qt.Unchecked) # disable the row lo = self.lstPoly.itemDelegate().poly_parameter hi = self.lstPoly.itemDelegate().poly_function self._poly_model.blockSignals(True) [self._poly_model.item(row_index, i).setEnabled(False) for i in range(lo, hi)] self._poly_model.blockSignals(False) return except IOError: combo_box.setCurrentIndex(self.orig_poly_index) # Pass for cancel/bad read pass else: self.kernel_module.set_dispersion(param.name, self.disp_model) # Enable the row in case it was disabled by Array self._poly_model.blockSignals(True) max_range = self.lstPoly.itemDelegate().poly_filename [self._poly_model.item(row_index, i).setEnabled(True) for i in range(7)] file_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) self._poly_model.setData(file_index, "") self._poly_model.blockSignals(False) npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts) nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs) npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts'] nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas'] self._poly_model.setData(npts_index, npts) self._poly_model.setData(nsigs_index, nsigs) self.iterateOverModel(updateFunctionCaption) if combo_box is not None: self.orig_poly_index = combo_box.currentIndex()
[docs] def loadPolydispArray(self, row_index): """ Show the load file dialog and loads requested data into state """ datafile = QtWidgets.QFileDialog.getOpenFileName( self, "Choose a weight file", "", "All files (*.*)", None, QtWidgets.QFileDialog.DontUseNativeDialog)[0] if not datafile: logger.info("No weight data chosen.") raise IOError values = [] weights = [] def appendData(data_tuple): """ Fish out floats from a tuple of strings """ try: values.append(float(data_tuple[0])) weights.append(float(data_tuple[1])) except (ValueError, IndexError): # just pass through if line with bad data return with open(datafile, 'r') as column_file: column_data = [line.rstrip().split() for line in column_file.readlines()] [appendData(line) for line in column_data] # If everything went well - update the sasmodel values self.disp_model.set_weights(np.array(values), np.array(weights)) # + update the cell with filename fname = os.path.basename(str(datafile)) fname_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_filename) self._poly_model.setData(fname_index, fname)
[docs] def onColumnWidthUpdate(self, index, old_size, new_size): """ Simple state update of the current column widths in the param list """ self.lstParamHeaderSizes[index] = new_size
[docs] def setMagneticModel(self): """ Set magnetism values on model """ if not self.model_parameters: return self._magnet_model.clear() # default initial value m0 = 0.5 for param in self.model_parameters.call_parameters: if param.type != 'magnetic': continue if "M0" in param.name: m0 += 0.5 value = m0 else: value = param.default self.addCheckedMagneticListToModel(param, value) FittingUtilities.addHeadersToModel(self._magnet_model)
[docs] def shellNamesList(self): """ Returns list of names of all multi-shell parameters E.g. for sld[n], radius[n], n=1..3 it will return [sld1, sld2, sld3, radius1, radius2, radius3] """ multi_names = [p.name[:p.name.index('[')] for p in self.model_parameters.iq_parameters if '[' in p.name] top_index = self.kernel_module.multiplicity_info.number shell_names = [] for i in range(1, top_index+1): for name in multi_names: shell_names.append(name+str(i)) return shell_names
[docs] def addCheckedMagneticListToModel(self, param, value): """ Wrapper for model update with a subset of magnetic parameters """ try: basename, _ = param.name.rsplit('_', 1) except ValueError: basename = param.name if basename in self.shell_names: try: shell_index = int(basename[-2:]) except ValueError: shell_index = int(basename[-1:]) if shell_index > self.current_shell_displayed: return checked_list = [param.name, str(value), str(param.limits[0]), str(param.limits[1]), param.units] self.magnet_params[param.name] = value FittingUtilities.addCheckedListToModel(self._magnet_model, checked_list)
[docs] def enableStructureFactorControl(self, structure_factor): """ Add structure factors to the list of parameters """ if self.kernel_module.is_form_factor or structure_factor == 'None': self.enableStructureCombo() else: self.disableStructureCombo()
[docs] def addExtraShells(self): """ Add a combobox for multiple shell display """ param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) if param_length == 0: return # cell 1: variable name item1 = QtGui.QStandardItem(param_name) func = QtWidgets.QComboBox() # cell 2: combobox item2 = QtGui.QStandardItem() # cell 3: min value item3 = QtGui.QStandardItem() # set the cell to be non-editable item3.setFlags(item3.flags() ^ QtCore.Qt.ItemIsEditable) # cell 4: max value item4 = QtGui.QStandardItem() # set the cell to be non-editable item4.setFlags(item4.flags() ^ QtCore.Qt.ItemIsEditable) # cell 4: SLD button item5 = QtGui.QStandardItem() button = QtWidgets.QPushButton() button.setText("Show SLD Profile") self._model_model.appendRow([item1, item2, item3, item4, item5]) # Beautify the row: span columns 2-4 shell_row = self._model_model.rowCount() shell_index = self._model_model.index(shell_row-1, 1) button_index = self._model_model.index(shell_row-1, 4) self.lstParams.setIndexWidget(shell_index, func) self.lstParams.setIndexWidget(button_index, button) self._n_shells_row = shell_row - 1 # Get the default number of shells for the model kernel_pars = self.kernel_module._model_info.parameters.kernel_parameters shell_par = None for par in kernel_pars: parname = par.name if '[' in parname: parname = parname[:parname.index('[')] if parname == param_name: shell_par = par break if shell_par is None: logger.error("Could not find %s in kernel parameters.", param_name) return default_shell_count = shell_par.default shell_min = 0 shell_max = 0 try: shell_min = int(shell_par.limits[0]) shell_max = int(shell_par.limits[1]) except IndexError as ex: # no info about limits pass except OverflowError: # Try to limit shell_par, if possible if float(shell_par.limits[1])==np.inf: shell_max = 9 logging.warning("Limiting shell count to 9.") except Exception as ex: logging.error("Badly defined multiplicity: "+ str(ex)) return # don't update the kernel here - this data is display only self._model_model.blockSignals(True) item3.setText(str(shell_min)) item4.setText(str(shell_max)) self._model_model.blockSignals(False) ## Respond to index change #func.currentTextChanged.connect(self.modifyShellsInList) # Respond to button press button.clicked.connect(self.onShowSLDProfile) # Available range of shells displayed in the combobox func.addItems([str(i) for i in range(shell_min, shell_max+1)]) # Respond to index change func.currentTextChanged.connect(self.modifyShellsInList) # Add default number of shells to the model func.setCurrentText(str(default_shell_count)) self.modifyShellsInList(str(default_shell_count))
[docs] def modifyShellsInList(self, text): """ Add/remove additional multishell parameters """ # Find row location of the combobox first_row = self._n_shells_row + 1 remove_rows = self._num_shell_params try: index = int(text) except ValueError: # bad text on the control! index = 0 logger.error("Multiplicity incorrect! Setting to 0") self.kernel_module.multiplicity = index if remove_rows > 1: self._model_model.removeRows(first_row, remove_rows) new_rows = FittingUtilities.addShellsToModel( self.model_parameters, self._model_model, index, first_row, self.lstParams) self._num_shell_params = len(new_rows) self.current_shell_displayed = index # Param values for existing shells were reset to default; force all changes into kernel module for row in new_rows: par = row[0].text() val = GuiUtils.toDouble(row[1].text()) self.kernel_module.setParam(par, val) # Change 'n' in the parameter model; also causes recalculation self._model_model.item(self._n_shells_row, 1).setText(str(index)) # Update relevant models self.setPolyModel() if self.canHaveMagnetism(): self.setMagneticModel()
[docs] def onShowSLDProfile(self): """ Show a quick plot of SLD profile """ # get profile data try: x, y = self.kernel_module.getProfile() except TypeError: msg = "SLD profile calculation failed." logging.error(msg) return y *= 1.0e6 profile_data = Data1D(x=x, y=y) profile_data.name = "SLD" profile_data.scale = 'linear' profile_data.symbol = 'Line' profile_data.hide_error = True profile_data._xaxis = "R" profile_data._xunit = "\AA" profile_data._yaxis = "SLD" profile_data._yunit = "10^{-6}\AA^{-2}" profile_data.ytransform='y' profile_data.xtransform='x' profile_data.id = "sld" plotter = PlotterWidget(self, quickplot=True) plotter.showLegend = False plotter.plot(data=profile_data, hide_error=True, marker='-') self.plot_widget = QtWidgets.QWidget() self.plot_widget.setWindowTitle("Scattering Length Density Profile") layout = QtWidgets.QVBoxLayout() layout.addWidget(plotter) self.plot_widget.setLayout(layout) self.plot_widget.show()
[docs] def setInteractiveElements(self, enabled=True): """ Switch interactive GUI elements on/off """ assert isinstance(enabled, bool) self.lstParams.setEnabled(enabled) self.lstPoly.setEnabled(enabled) self.lstMagnetic.setEnabled(enabled) self.cbCategory.setEnabled(enabled) if enabled: # worry about original enablement of model and SF self.cbModel.setEnabled(self.enabled_cbmodel) self.cbStructureFactor.setEnabled(self.enabled_sfmodel) else: self.cbModel.setEnabled(enabled) self.cbStructureFactor.setEnabled(enabled) self.cmdPlot.setEnabled(enabled)
[docs] def enableInteractiveElements(self): """ Set buttion caption on fitting/calculate finish Enable the param table(s) """ # Notify the user that fitting is available self.cmdFit.setStyleSheet('QPushButton {color: black;}') self.cmdFit.setText("Fit") self.fit_started = False self.setInteractiveElements(True)
[docs] def disableInteractiveElements(self): """ Set buttion caption on fitting/calculate start Disable the param table(s) """ # Notify the user that fitting is being run # Allow for stopping the job self.cmdFit.setStyleSheet('QPushButton {color: red;}') self.cmdFit.setText('Stop fit') self.setInteractiveElements(False)
[docs] def disableInteractiveElementsOnCalculate(self): """ Set buttion caption on fitting/calculate start Disable the param table(s) """ # Notify the user that fitting is being run # Allow for stopping the job self.cmdFit.setStyleSheet('QPushButton {color: red;}') self.cmdFit.setText('Running...') self.setInteractiveElements(False)
[docs] def readFitPage(self, fp): """ Read in state from a fitpage object and update GUI """ assert isinstance(fp, FitPage) # Main tab info self.logic.data.filename = fp.filename self.data_is_loaded = fp.data_is_loaded self.chkPolydispersity.setCheckState(fp.is_polydisperse) self.chkMagnetism.setCheckState(fp.is_magnetic) self.chk2DView.setCheckState(fp.is2D) # Update the comboboxes self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category)) self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model)) if fp.current_factor: self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor)) self.chi2 = fp.chi2 # Options tab self.q_range_min = fp.fit_options[fp.MIN_RANGE] self.q_range_max = fp.fit_options[fp.MAX_RANGE] self.npts = fp.fit_options[fp.NPTS] self.log_points = fp.fit_options[fp.LOG_POINTS] self.weighting = fp.fit_options[fp.WEIGHTING] # Models self._model_model = fp.model_model self._poly_model = fp.poly_model self._magnet_model = fp.magnetism_model # Resolution tab smearing = fp.smearing_options[fp.SMEARING_OPTION] accuracy = fp.smearing_options[fp.SMEARING_ACCURACY] smearing_min = fp.smearing_options[fp.SMEARING_MIN] smearing_max = fp.smearing_options[fp.SMEARING_MAX] self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max)
# TODO: add polidyspersity and magnetism
[docs] def saveToFitPage(self, fp): """ Write current state to the given fitpage """ assert isinstance(fp, FitPage) # Main tab info fp.filename = self.logic.data.filename fp.data_is_loaded = self.data_is_loaded fp.is_polydisperse = self.chkPolydispersity.isChecked() fp.is_magnetic = self.chkMagnetism.isChecked() fp.is2D = self.chk2DView.isChecked() fp.data = self.data # Use current models - they contain all the required parameters fp.model_model = self._model_model fp.poly_model = self._poly_model fp.magnetism_model = self._magnet_model if self.cbCategory.currentIndex() != 0: fp.current_category = str(self.cbCategory.currentText()) fp.current_model = str(self.cbModel.currentText()) if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0: fp.current_factor = str(self.cbStructureFactor.currentText()) else: fp.current_factor = '' fp.chi2 = self.chi2 fp.main_params_to_fit = self.main_params_to_fit fp.poly_params_to_fit = self.poly_params_to_fit fp.magnet_params_to_fit = self.magnet_params_to_fit fp.kernel_module = self.kernel_module # Algorithm options # fp.algorithm = self.parent.fit_options.selected_id # Options tab fp.fit_options[fp.MIN_RANGE] = self.q_range_min fp.fit_options[fp.MAX_RANGE] = self.q_range_max fp.fit_options[fp.NPTS] = self.npts #fp.fit_options[fp.NPTS_FIT] = self.npts_fit fp.fit_options[fp.LOG_POINTS] = self.log_points fp.fit_options[fp.WEIGHTING] = self.weighting # Resolution tab smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() fp.smearing_options[fp.SMEARING_OPTION] = smearing fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy fp.smearing_options[fp.SMEARING_MIN] = smearing_min fp.smearing_options[fp.SMEARING_MAX] = smearing_max
# TODO: add polidyspersity and magnetism
[docs] def updateUndo(self): """ Create a new state page and add it to the stack """ if self.undo_supported: self.pushFitPage(self.currentState())
[docs] def currentState(self): """ Return fit page with current state """ new_page = FitPage() self.saveToFitPage(new_page) return new_page
[docs] def pushFitPage(self, new_page): """ Add a new fit page object with current state """ self.page_stack.append(new_page)
[docs] def popFitPage(self): """ Remove top fit page from stack """ if self.page_stack: self.page_stack.pop()
[docs] def getReport(self): """ Create and return HTML report with parameters and charts """ index = None if self.all_data: index = self.all_data[self.data_index] else: index = self.theory_item params = FittingUtilities.getStandardParam(self._model_model) poly_params = [] magnet_params = [] if self.chkPolydispersity.isChecked() and self._poly_model.rowCount() > 0: poly_params = FittingUtilities.getStandardParam(self._poly_model) if self.chkMagnetism.isChecked() and self.canHaveMagnetism() and self._magnet_model.rowCount() > 0: magnet_params = FittingUtilities.getStandardParam(self._magnet_model) report_logic = ReportPageLogic(self, kernel_module=self.kernel_module, data=self.data, index=index, params=params+poly_params+magnet_params) return report_logic.reportList()
[docs] def loadPageStateCallback(self,state=None, datainfo=None, format=None): """ This is a callback method called from the CANSAS reader. We need the instance of this reader only for writing out a file, so there's nothing here. Until Load Analysis is implemented, that is. """ pass
[docs] def loadPageState(self, pagestate=None): """ Load the PageState object and update the current widget """ filepath = self.loadAnalysisFile() if filepath is None or filepath == "": return with open(filepath, 'r') as statefile: #column_data = [line.rstrip().split() for line in statefile.readlines()] lines = statefile.readlines() # convert into list of lists pass
[docs] def loadAnalysisFile(self): """ Called when the "Open Project" menu item chosen. """ default_name = "FitPage"+str(self.tab_id)+".fitv" wildcard = "fitv files (*.fitv)" kwargs = { 'caption' : 'Open Analysis', 'directory' : default_name, 'filter' : wildcard, 'parent' : self, } filename = QtWidgets.QFileDialog.getOpenFileName(**kwargs)[0] return filename
[docs] def onCopyToClipboard(self, format=None): """ Copy current fitting parameters into the clipboard using requested formatting: plain, excel, latex """ param_list = self.getFitParameters() if format=="": param_list = self.getFitPage() param_list += self.getFitModel() formatted_output = FittingUtilities.formatParameters(param_list) elif format == "Excel": formatted_output = FittingUtilities.formatParametersExcel(param_list[1:]) elif format == "Latex": formatted_output = FittingUtilities.formatParametersLatex(param_list[1:]) elif format == "Save": Text_output = FittingUtilities.formatParameters(param_list, False) Excel_output = FittingUtilities.formatParametersExcel(param_list[1:]) Latex_output = FittingUtilities.formatParametersLatex(param_list[1:]) else: raise AttributeError("Bad parameter output format specifier.") # Dump formatted_output to the clipboard if format == "Save": save_dialog = QtWidgets.QFileDialog() save_dialog.setAcceptMode(QtWidgets.QFileDialog.AcceptSave) kwargs = { 'parent': self, 'caption': 'Save Project', 'filter': 'Text (*.txt);;Excel (*.xls);;Latex (*.log)', 'options': QtWidgets.QFileDialog.DontUseNativeDialog } file_path = save_dialog.getSaveFileName(**kwargs) filename = file_path[0] if file_path[1] == 'Text (*.txt)': Type_output = Text_output filename = '.'.join((filename, 'txt')) elif file_path[1] == 'Excel (*.xls)': Type_output = Excel_output filename = '.'.join((filename, 'xls')) elif file_path[1] == 'Latex (*.log)': Type_output = Latex_output filename = '.'.join((filename, 'log')) file_open = open(filename, 'w') with file_open: file_open.write(Type_output) else: cb = QtWidgets.QApplication.clipboard() cb.setText(formatted_output)
[docs] def getFitModel(self): """ serializes combobox state """ param_list = [] model = str(self.cbModel.currentText()) category = str(self.cbCategory.currentText()) structure = str(self.cbStructureFactor.currentText()) param_list.append(['fitpage_category', category]) param_list.append(['fitpage_model', model]) param_list.append(['fitpage_structure', structure]) return param_list
[docs] def getFitPage(self): """ serializes full state of this fit page """ # run a loop over all parameters and pull out # first - regular params param_list = self.getFitParameters() param_list.append(['is_data', str(self.data_is_loaded)]) data_ids = [] filenames = [] if self.is_batch_fitting: for item in self.all_data: # need item->data->data_id data = GuiUtils.dataFromItem(item) data_ids.append(data.id) filenames.append(data.filename) else: if self.data_is_loaded: data_ids = [str(self.logic.data.id)] filenames = [str(self.logic.data.filename)] param_list.append(['tab_index', str(self.tab_id)]) param_list.append(['is_batch_fitting', str(self.is_batch_fitting)]) param_list.append(['data_name', filenames]) param_list.append(['data_id', data_ids]) param_list.append(['tab_name', self.modelName()]) # option tab param_list.append(['q_range_min', str(self.q_range_min)]) param_list.append(['q_range_max', str(self.q_range_max)]) param_list.append(['q_weighting', str(self.weighting)]) param_list.append(['weighting', str(self.options_widget.weighting)]) # resolution smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() index = self.smearing_widget.cbSmearing.currentIndex() param_list.append(['smearing', str(index)]) param_list.append(['smearing_min', str(smearing_min)]) param_list.append(['smearing_max', str(smearing_max)]) # checkboxes, if required has_polydisp = self.chkPolydispersity.isChecked() has_magnetism = self.chkMagnetism.isChecked() has_chain = self.chkChainFit.isChecked() has_2D = self.chk2DView.isChecked() param_list.append(['polydisperse_params', str(has_polydisp)]) param_list.append(['magnetic_params', str(has_magnetism)]) param_list.append(['chainfit_params', str(has_chain)]) param_list.append(['2D_params', str(has_2D)]) return param_list
[docs] def getFitParameters(self): """ serializes current parameters """ param_list = [] if self.kernel_module is None: return param_list param_list.append(['model_name', str(self.cbModel.currentText())]) def gatherParams(row): """ Create list of main parameters based on _model_model """ param_name = str(self._model_model.item(row, 0).text()) # Assure this is a parameter - must contain a checkbox if not self._model_model.item(row, 0).isCheckable(): # maybe it is a combobox item (multiplicity) try: index = self._model_model.index(row, 1) widget = self.lstParams.indexWidget(index) if widget is None: return if isinstance(widget, QtWidgets.QComboBox): # find the index of the combobox current_index = widget.currentIndex() param_list.append([param_name, 'None', str(current_index)]) except Exception as ex: pass return param_checked = str(self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked) # Value of the parameter. In some cases this is the text of the combobox choice. param_value = str(self._model_model.item(row, 1).text()) param_error = None param_min = None param_max = None column_offset = 0 if self.has_error_column: column_offset = 1 param_error = str(self._model_model.item(row, 1+column_offset).text()) try: param_min = str(self._model_model.item(row, 2+column_offset).text()) param_max = str(self._model_model.item(row, 3+column_offset).text()) except: pass # Do we have any constraints on this parameter? constraint = self.getConstraintForRow(row) cons = () if constraint is not None: value = constraint.value func = constraint.func value_ex = constraint.value_ex param = constraint.param validate = constraint.validate cons = (value, param, value_ex, validate, func) param_list.append([param_name, param_checked, param_value,param_error, param_min, param_max, cons]) def gatherPolyParams(row): """ Create list of polydisperse parameters based on _poly_model """ param_name = str(self._poly_model.item(row, 0).text()).split()[-1] param_checked = str(self._poly_model.item(row, 0).checkState() == QtCore.Qt.Checked) param_value = str(self._poly_model.item(row, 1).text()) param_error = None column_offset = 0 if self.has_poly_error_column: column_offset = 1 param_error = str(self._poly_model.item(row, 1+column_offset).text()) param_min = str(self._poly_model.item(row, 2+column_offset).text()) param_max = str(self._poly_model.item(row, 3+column_offset).text()) param_npts = str(self._poly_model.item(row, 4+column_offset).text()) param_nsigs = str(self._poly_model.item(row, 5+column_offset).text()) param_fun = str(self._poly_model.item(row, 6+column_offset).text()).rstrip() index = self._poly_model.index(row, 6+column_offset) widget = self.lstPoly.indexWidget(index) if widget is not None and isinstance(widget, QtWidgets.QComboBox): param_fun = widget.currentText() # width name = param_name+".width" param_list.append([name, param_checked, param_value, param_error, param_min, param_max, param_npts, param_nsigs, param_fun]) def gatherMagnetParams(row): """ Create list of magnetic parameters based on _magnet_model """ param_name = str(self._magnet_model.item(row, 0).text()) param_checked = str(self._magnet_model.item(row, 0).checkState() == QtCore.Qt.Checked) param_value = str(self._magnet_model.item(row, 1).text()) param_error = None column_offset = 0 if self.has_magnet_error_column: column_offset = 1 param_error = str(self._magnet_model.item(row, 1+column_offset).text()) param_min = str(self._magnet_model.item(row, 2+column_offset).text()) param_max = str(self._magnet_model.item(row, 3+column_offset).text()) param_list.append([param_name, param_checked, param_value, param_error, param_min, param_max]) self.iterateOverModel(gatherParams) if self.chkPolydispersity.isChecked(): self.iterateOverPolyModel(gatherPolyParams) if self.chkMagnetism.isChecked() and self.canHaveMagnetism(): self.iterateOverMagnetModel(gatherMagnetParams) if self.kernel_module.is_multiplicity_model: param_list.append(['multiplicity', str(self.kernel_module.multiplicity)]) return param_list
[docs] def onParameterPaste(self): """ Use the clipboard to update fit state """ # Check if the clipboard contains right stuff cb = QtWidgets.QApplication.clipboard() cb_text = cb.text() lines = cb_text.split(':') if lines[0] != 'sasview_parameter_values': return False # put the text into dictionary line_dict = {} for line in lines[1:]: content = line.split(',') if len(content) > 1: line_dict[content[0]] = content[1:] self.updatePageWithParameters(line_dict)
[docs] def createPageForParameters(self, line_dict): """ Sets up page with requested model/str factor and fills it up with sent parameters """ if 'fitpage_category' in line_dict: self.cbCategory.setCurrentIndex(self.cbCategory.findText(line_dict['fitpage_category'][0])) if 'fitpage_model' in line_dict: self.cbModel.setCurrentIndex(self.cbModel.findText(line_dict['fitpage_model'][0])) if 'fitpage_structure' in line_dict: self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(line_dict['fitpage_structure'][0])) # Now that the page is ready for parameters, fill it up self.updatePageWithParameters(line_dict)
[docs] def updatePageWithParameters(self, line_dict): """ Update FitPage with parameters in line_dict """ if 'model_name' not in line_dict.keys(): return model = line_dict['model_name'][0] context = {} if 'multiplicity' in line_dict.keys(): multip = int(line_dict['multiplicity'][0], 0) # reset the model with multiplicity, so further updates are saved if self.kernel_module.is_multiplicity_model: self.kernel_module.multiplicity=multip self.updateMultiplicityCombo(multip) if 'tab_name' in line_dict.keys() and self.kernel_module is not None: self.kernel_module.name = line_dict['tab_name'][0] if 'polydisperse_params' in line_dict.keys(): self.chkPolydispersity.setChecked(line_dict['polydisperse_params'][0]=='True') if 'magnetic_params' in line_dict.keys(): self.chkMagnetism.setChecked(line_dict['magnetic_params'][0]=='True') if 'chainfit_params' in line_dict.keys(): self.chkChainFit.setChecked(line_dict['chainfit_params'][0]=='True') if '2D_params' in line_dict.keys(): self.chk2DView.setChecked(line_dict['2D_params'][0]=='True') # Create the context dictionary for parameters context['model_name'] = model for key, value in line_dict.items(): if len(value) > 2: context[key] = value if str(self.cbModel.currentText()) != str(context['model_name']): msg = QtWidgets.QMessageBox() msg.setIcon(QtWidgets.QMessageBox.Information) msg.setText("The model in the clipboard is not the same as the currently loaded model. \ Not all parameters saved may paste correctly.") msg.setStandardButtons(QtWidgets.QMessageBox.Ok | QtWidgets.QMessageBox.Cancel) result = msg.exec_() if result == QtWidgets.QMessageBox.Ok: pass else: return if 'smearing' in line_dict.keys(): try: index = int(line_dict['smearing'][0]) self.smearing_widget.cbSmearing.setCurrentIndex(index) except ValueError: pass if 'smearing_min' in line_dict.keys(): try: self.smearing_widget.dq_l = float(line_dict['smearing_min'][0]) except ValueError: pass if 'smearing_max' in line_dict.keys(): try: self.smearing_widget.dq_r = float(line_dict['smearing_max'][0]) except ValueError: pass if 'q_range_max' in line_dict.keys(): try: self.q_range_min = float(line_dict['q_range_min'][0]) self.q_range_max = float(line_dict['q_range_max'][0]) except ValueError: pass self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) try: button_id = int(line_dict['weighting'][0]) for button in self.options_widget.weightingGroup.buttons(): if abs(self.options_widget.weightingGroup.id(button)) == button_id+2: button.setChecked(True) break except ValueError: pass self.updateFullModel(context) self.updateFullPolyModel(context) self.updateFullMagnetModel(context)
[docs] def updateMultiplicityCombo(self, multip): """ Find and update the multiplicity combobox """ index = self._model_model.index(self._n_shells_row, 1) widget = self.lstParams.indexWidget(index) if widget is not None and isinstance(widget, QtWidgets.QComboBox): widget.setCurrentIndex(widget.findText(str(multip))) self.current_shell_displayed = multip
[docs] def updateFullModel(self, param_dict): """ Update the model with new parameters """ assert isinstance(param_dict, dict) if not dict: return def updateFittedValues(row): # Utility function for main model update # internal so can use closure for param_dict param_name = str(self._model_model.item(row, 0).text()) if param_name not in list(param_dict.keys()): return # Special case of combo box in the cell (multiplicity) param_line = param_dict[param_name] if len(param_line) == 1: # modify the shells value try: combo_index = int(param_line[0]) except ValueError: # quietly pass return index = self._model_model.index(row, 1) widget = self.lstParams.indexWidget(index) if widget is not None and isinstance(widget, QtWidgets.QComboBox): #widget.setCurrentIndex(combo_index) return # checkbox state param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked self._model_model.item(row, 0).setCheckState(param_checked) # parameter value can be either just a value or text on the combobox param_text = param_dict[param_name][1] index = self._model_model.index(row, 1) widget = self.lstParams.indexWidget(index) if widget is not None and isinstance(widget, QtWidgets.QComboBox): # Find the right index based on text combo_index = int(param_text, 0) widget.setCurrentIndex(combo_index) else: # modify the param value param_repr = GuiUtils.formatNumber(param_text, high=True) self._model_model.item(row, 1).setText(param_repr) # Potentially the error column ioffset = 0 joffset = 0 if len(param_dict[param_name])>5: # error values are not editable - no need to update ioffset = 1 if self.has_error_column: joffset = 1 # min/max try: self._model_model.item(row, 2+joffset).setText(param_dict[param_name][2+ioffset]) self._model_model.item(row, 3+joffset).setText(param_dict[param_name][3+ioffset]) except: pass # constraints cons = param_dict[param_name][4+ioffset] if cons is not None and len(cons)==5: value = cons[0] param = cons[1] value_ex = cons[2] validate = cons[3] function = cons[4] constraint = Constraint() constraint.value = value constraint.func = function constraint.param = param constraint.value_ex = value_ex constraint.validate = validate self.addConstraintToRow(constraint=constraint, row=row) self.setFocus() self.iterateOverModel(updateFittedValues)
[docs] def updateFullPolyModel(self, param_dict): """ Update the polydispersity model with new parameters, create the errors column """ assert isinstance(param_dict, dict) if not dict: return def updateFittedValues(row): # Utility function for main model update # internal so can use closure for param_dict if row >= self._poly_model.rowCount(): return param_name = str(self._poly_model.item(row, 0).text()).rsplit()[-1] + '.width' if param_name not in list(param_dict.keys()): return # checkbox state param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked self._poly_model.item(row,0).setCheckState(param_checked) # modify the param value param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) self._poly_model.item(row, 1).setText(param_repr) # Potentially the error column ioffset = 0 joffset = 0 if len(param_dict[param_name])>7: ioffset = 1 if self.has_poly_error_column: joffset = 1 # min param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True) self._poly_model.item(row, 2+joffset).setText(param_repr) # max param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True) self._poly_model.item(row, 3+joffset).setText(param_repr) # Npts param_repr = GuiUtils.formatNumber(param_dict[param_name][4+ioffset], high=True) self._poly_model.item(row, 4+joffset).setText(param_repr) # Nsigs param_repr = GuiUtils.formatNumber(param_dict[param_name][5+ioffset], high=True) self._poly_model.item(row, 5+joffset).setText(param_repr) self.setFocus() self.iterateOverPolyModel(updateFittedValues)
[docs] def updateFullMagnetModel(self, param_dict): """ Update the magnetism model with new parameters, create the errors column """ assert isinstance(param_dict, dict) if not dict: return def updateFittedValues(row): # Utility function for main model update # internal so can use closure for param_dict if row >= self._magnet_model.rowCount(): return param_name = str(self._magnet_model.item(row, 0).text()).rsplit()[-1] if param_name not in list(param_dict.keys()): return # checkbox state param_checked = QtCore.Qt.Checked if param_dict[param_name][0] == "True" else QtCore.Qt.Unchecked self._magnet_model.item(row,0).setCheckState(param_checked) # modify the param value param_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) self._magnet_model.item(row, 1).setText(param_repr) # Potentially the error column ioffset = 0 joffset = 0 if len(param_dict[param_name])>4: ioffset = 1 if self.has_magnet_error_column: joffset = 1 # min param_repr = GuiUtils.formatNumber(param_dict[param_name][2+ioffset], high=True) self._magnet_model.item(row, 2+joffset).setText(param_repr) # max param_repr = GuiUtils.formatNumber(param_dict[param_name][3+ioffset], high=True) self._magnet_model.item(row, 3+joffset).setText(param_repr) self.iterateOverMagnetModel(updateFittedValues)
[docs] def onMaskedData(self): """ A mask has been applied to current data. Update the Q ranges. """ self.updateQRange() self.updateData()
[docs] def getCurrentFitState(self, state=None): """ Store current state for fit_page """ # Comboboxes state.categorycombobox = self.cbCategory.currentText() state.formfactorcombobox = self.cbModel.currentText() if self.cbStructureFactor.isEnabled(): state.structurecombobox = self.cbStructureFactor.currentText() state.tcChi = self.chi2 state.enable2D = self.is2D # save data state.data = copy.deepcopy(self.data) # save plotting range state.qmin = self.q_range_min state.qmax = self.q_range_max state.npts = self.npts p = self.model_parameters # save checkbutton state and txtcrtl values state.parameters = FittingUtilities.getStandardParam(self._model_model) state.orientation_params_disp = FittingUtilities.getOrientationParam(self.kernel_module)