sas.qtgui.Perspectives.Fitting package

Subpackages

• sas.qtgui.Perspectives.Fitting.UI package
  • Submodules
  • sas.qtgui.Perspectives.Fitting.UI.ComplexConstraintUI module
  • sas.qtgui.Perspectives.Fitting.UI.ConstraintWidgetUI module
  • sas.qtgui.Perspectives.Fitting.UI.FittingOptionsUI module
  • sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI module
  • sas.qtgui.Perspectives.Fitting.UI.GPUOptionsUI module
  • sas.qtgui.Perspectives.Fitting.UI.GPUTestResultsUI module
  • sas.qtgui.Perspectives.Fitting.UI.MultiConstraintUI module
  • sas.qtgui.Perspectives.Fitting.UI.OptionsWidgetUI module
  • sas.qtgui.Perspectives.Fitting.UI.OrderWidgetUI module
  • sas.qtgui.Perspectives.Fitting.UI.SmearingWidgetUI module
  • Module contents

Submodules

sas.qtgui.Perspectives.Fitting.AssociatedComboBox module

class sas.qtgui.Perspectives.Fitting.AssociatedComboBox.AssociatedComboBox(item, idx_as_value=False, parent=None)

Bases: PyQt5.QtWidgets.QComboBox

Just a regular combo box, but associated with a particular QStandardItem so that it can be used to display and select an item’s current text and a restricted list of other possible text.

When the combo box’s current text is changed, the change is immediately reflected in the associated item; either the text itself is set as the item’s data, or the current index is used; see constructor.

item = None

sas.qtgui.Perspectives.Fitting.ComplexConstraint module

Widget for multi-model constraints.

class sas.qtgui.Perspectives.Fitting.ComplexConstraint.ComplexConstraint(parent=None, tabs=None)

Bases: PyQt5.QtWidgets.QDialog, sas.qtgui.Perspectives.Fitting.UI.ComplexConstraintUI.Ui_ComplexConstraintUI

applyAcrossTabs(tabs, param, expr)

Apply constraints across tabs, e.g. all scale parameters constrained to an expression. tabs is a list of active fit tabs for which the parameter string param will be constrained to the expr string.

constraint()

Return the generated constraint

constraintIsRedefined(cons_tuple)

Warn the user when a constraint is being redefined

constraintReadySignal

onApply()

Respond to Add constraint action. Send a signal that the constraint is ready to be applied

onHelp()

Display related help section

onModelIndexChange(index)

Respond to mode combo box changes

onOperatorChange(index)

Respond to operator combo box changes

onParamIndexChange(index)

Respond to parameter combo box changes

onSetAll()

Set constraints on all identically named parameters between two fitpages

setupData()

Digs into self.tabs and pulls out relevant info

setupMenu()

setupParamWidgets()

Fill out comboboxes and set labels with non-constrained parameters

setupSignals()

Signals from various elements

setupTooltip()

Tooltip for txtConstraint

setupWidgets()

Setup widgets based on current parameters

validateConstraint(constraint_text)

Ensure the constraint has proper form

validateFormula()

Add visual cues when formula is incorrect

sas.qtgui.Perspectives.Fitting.ConsoleUpdate module

class sas.qtgui.Perspectives.Fitting.ConsoleUpdate.ConsoleUpdate(parent, manager=None, quiet=False, progress_delta=60, improvement_delta=5)

Bases: sas.sascalc.fit.AbstractFitEngine.FitHandler

Print progress to the console.

abort()

error(msg)

Model had an error; print traceback

finalize()

get_result()

improvement()

Called when a result is observed which is better than previous results from the fit.

improvement_delta = 5

Number of seconds between improvement updates

isbetter = False

Record whether results improved since last update

print_result()

Print result object

progress(k, n)

Report on progress.

progress_delta = 60

Number of seconds between progress updates

set_result(result)

stop(msg)

Post event msg and stop

update_fit(last=False)

sas.qtgui.Perspectives.Fitting.Constraint module

class sas.qtgui.Perspectives.Fitting.Constraint.Constraint(parent=None, param=None, value=0.0, min=None, max=None, func=None, value_ex=None, operator='=')

Bases: object

Internal representation of a single parameter constraint Currently just a data structure, might get expaned with more functionality, hence made into a class.

func

max

min

operator

param

value

value_ex

sas.qtgui.Perspectives.Fitting.ConstraintWidget module

class sas.qtgui.Perspectives.Fitting.ConstraintWidget.ConstraintWidget(parent=None)

Bases: PyQt5.QtWidgets.QWidget, sas.qtgui.Perspectives.Fitting.UI.ConstraintWidgetUI.Ui_ConstraintWidgetUI

Constraints Dialog to select the desired parameter/model constraints.

acceptsData()

Tells the caller this widget doesn’t accept data

batchComplete(result)

Respond to the successful batch fit complete signal

batchCompleteSignal

createPageForParameters(parameters=None)

Update the page with passed parameter values

deleteConstraint()

Delete all selected constraints.

deselectConstraints()

Selected constraints are removed for fitting

deselectModels()

Selected models are removed for fitting

fitComplete(result)

Respond to the successful fit complete signal

fitCompleteSignal

fitFailed(reason)

Respond to fitting failure.

fitFailedSignal

getFitModel()

Retrieves current model

getFitPage()

Retrieves the state of this page

getObjectByName(name)

Given name of the fit, returns associated fit object

getReport()

Wrapper for non-existent functionality. Tell the user to use the reporting tool on separate fit pages.

getTabsForFit()

Returns list of tab names selected for fitting

initializeFitList()

Fill the list of model/data sets for fitting/constraining

initializeSignals()

Set up signals/slots for this widget

initializeWidgets()

Set up various widget states

isTabImportable(tab)

Determines if the tab can be imported and included in the widget

onAcceptConstraint(con_tuple)

Receive constraint tuple from the ComplexConstraint dialog and adds constraint. Checks the constraints for errors and displays a warning message interrupting flow if any are found

onBatchFitComplete(result)

Send the fit complete signal to main thread

onChainFit(is_checked)

Respond to selecting the Chain Fit checkbox

onConstraintChange(row, column)

Modify the constraint when the user edits the constraint list. If the user changes the constrained parameter, the constraint is erased and a new one is created. Checking is performed on the constrained entered by the user, showing message box warning him the constraint is not valid and cancelling his changes by reloading the view. View is reloaded when the user is finished for consistency.

onFit()

Perform the constrained/simultaneous fit

onFitComplete(result)

Send the fit complete signal to main thread

onFitFailed(reason)

Send the fit failed signal to main thread

onFitTypeChange(checked)

Respond to the fit type change single fit/batch fit

onHelp()

Show the “Fitting” section of help

onSpecialCaseChange(index)

Respond to the combobox change for special case constraint sets

onTabCellEdit(row, column)

Respond to check/uncheck and to modify the model moniker actions

onTabCellEntered(row, column)

Remember the original tab list cell data. Needed for reverting back on bad validation

orderedSublist(order_list, target_list)

Orders the target_list such that any elements present in order_list show up first and in the order from order_list.

selectConstraints()

Selected constraints are chosen for fitting

selectModels()

Selected models are chosen for fitting

selectedParameters(widget)

Returns list of selected (highlighted) parameters

setRowSelection(widget, status=0)

Selected models are chosen for fitting

showConstrContextMenu(position)

Show context specific menu in the tab table widget.

showModelContextMenu(position)

Show context specific menu in the tab table widget.

showMultiConstraint()

Invoke the complex constraint editor

uncheckConstraint(name)

Unchecks the constraint in tblConstraint with name slave parameter and deactivates the constraint.

uneditableItem(data='')

Returns an uneditable Table Widget Item

updateFitLine(tab)

Update a single line of the table widget with tab info

updateSignalsFromTab(tab=None)

Intercept update signals from fitting tabs

validateMoniker(new_moniker=None)

Check new_moniker for correctness. It must be non-empty. It must not be the same as other monikers.

class sas.qtgui.Perspectives.Fitting.ConstraintWidget.DnDTableWidget(*args, **kwargs)

Bases: PyQt5.QtWidgets.QTableWidget

dragEnterEvent(event)

Called automatically on a drag in the TableWidget

dragLeaveEvent(event)

Called automatically on a drag stop

dropEvent(self, QDropEvent)

drop_on(event)

isDragged()

Return the drag status

is_below(pos, index)

sas.qtgui.Perspectives.Fitting.FitPage module

Container class for fitting widget state storage

class sas.qtgui.Perspectives.Fitting.FitPage.FitPage

Bases: object

Container for all data related to the current fit page

LOG_POINTS = 4

MAX_RANGE = 1

MIN_RANGE = 0

NPTS = 2

NPTS_FIT = 3

SMEARING_ACCURACY = 7

SMEARING_MAX = 9

SMEARING_MIN = 8

SMEARING_OPTION = 6

WEIGHTING = 5

load(location)

Retrieve serialized state from specified location

save()

Serialize the current state

saveAsXML()

Serialize the current state

sas.qtgui.Perspectives.Fitting.FitThread module

class sas.qtgui.Perspectives.Fitting.FitThread.FitThread(fn, page_id, handler, batch_outputs, batch_inputs=None, pars=None, completefn=None, updatefn=None, yieldtime=0.03, worktime=0.03, reset_flag=False)

Bases: sas.sascalc.data_util.calcthread.CalcThread

Thread performing the fit

compute()

Perform a fit

isquit()

Raises:KeyboardInterrupt – when the thread is interrupted

sas.qtgui.Perspectives.Fitting.FitThread.map_apply(arguments)

sas.qtgui.Perspectives.Fitting.FitThread.map_getattr(classInstance, classFunc, *args)

Take an instance of a class and a function name as a string. Execute class.function and return result

sas.qtgui.Perspectives.Fitting.FittingLogic module

class sas.qtgui.Perspectives.Fitting.FittingLogic.FittingLogic(data=None)

Bases: object

All the data-related logic. This class deals exclusively with Data1D/2D No QStandardModelIndex here.

computeDataRange()

Wrapper for calculating the data range based on local dataset

computeRangeFromData(data)

Compute the minimum and the maximum range of the data return the npts contains in data

createDefault1dData(interval, tab_id=0)

Create default data for fitting perspective Only when the page is on theory mode.

createDefault2dData(qmax, qstep, tab_id=0)

Create 2D data by default Only when the page is on theory mode.

data

getScalarIntermediateResults(return_data)

Returns a dict of scalar-only intermediate results from the return data.

isLoadedData()

accessor

new1DPlot(return_data, tab_id)

Create a new 1D data instance based on fitting results

new1DProductPlots(return_data, tab_id)

If return_data contains separated P(Q) and/or S(Q) data, create 1D plots for each and return as the tuple (pq_plot, sq_plot). If either are unavailable, the corresponding plot is None.

new2DPlot(return_data)

Create a new 2D data instance based on fitting results

setDataProperties()

Analyze data and set up some properties important for the Presentation layer

sas.qtgui.Perspectives.Fitting.FittingOptions module

class sas.qtgui.Perspectives.Fitting.FittingOptions.FittingOptions(parent=None, config=None)

Bases: PyQt5.QtWidgets.QDialog, sas.qtgui.Perspectives.Fitting.UI.FittingOptionsUI.Ui_FittingOptions

Hard-coded version of the fit options dialog available from BUMPS. This should be make more “dynamic”. bumps.options.FIT_FIELDS gives mapping between parameter names, parameter strings and field type (double line edit, integer line edit, combo box etc.), e.g.:

FIT_FIELDS = dict(
    samples = ("Samples", parse_int),
    xtol = ("x tolerance", float),
)

bumps.fitters.<algorithm>.settings gives mapping between algorithm, parameter name and default value, e.g.:

>>> settings = [('steps', 1000), ('starts', 1), ('radius', 0.15), ('xtol', 1e-6), ('ftol', 1e-8)]

assignValidators()

Use options.FIT_FIELDS to assert which line edit gets what validator

check_state(*args, **kwargs)

fit_option_changed

getResults()

Sends back the current choice of parameters

onAlgorithmChange(index)

Change the page in response to combo box index

onApply()

Update the fitter object

onHelp()

Show the “Fitting options” section of help

updateWidgetFromBumps(fitter_id)

Given the ID of the current optimizer, fetch the values and update the widget

widgetFromOption(option_id, current_fitter=None)

returns widget’s element linked to the given option_id

sas.qtgui.Perspectives.Fitting.FittingPerspective module

class sas.qtgui.Perspectives.Fitting.FittingPerspective.FittingWindow(parent=None, data=None)

Bases: PyQt5.QtWidgets.QTabWidget

addConstraintTab()

Add a new C&S fitting tab

addFit(data, is_batch=False, tab_index=None)

Add a new tab for passed data

allowBatch()

Tell the caller that we accept multiple data instances

allowSwap()

Tell the caller that you can swap data

closeEvent(event)

Overwrite QDialog close method to allow for custom widget close

closeTabByIndex(index)

Close/delete a tab with the given index. No checks on validity of the index.

closeTabByName(tab_name)

Given name of the fitting tab - close it

currentTab

Returns the tab widget currently shown

currentTabDataId()

Returns the data ID of the current tab

dataDeleted(index_list)

Delete fit tabs referencing given data

ext = 'fitv'

fittingStartedSignal

fittingStoppedSignal

getActiveConstraintList()

Returns a list of the constraints for all fitting tabs. Constraints are a tuple of strings (parameter, expression) e.g. (‘M1.scale’, ‘M2.scale + 2’)

getCSTabName()

Get the new tab name, based on the number of fitting tabs so far

getConstraintTab()

Returns the constraint tab, or None if no constraint tab is active

getCurrentStateAsXml()

Returns an XML version of the current state

getFitTabs()

Returns the list of fitting tabs

getSerializedFitpage(tab)

get serialize requested fit tab

getSymbolDictForConstraints()

Returns a dictionary containing all the symbols in all constrained tabs and their values.

getTabByName(name)

Returns the tab with with attribute name name

getTabName(is_batch=False)

Get the new tab name, based on the number of fitting tabs so far

isSerializable()

Tell the caller that this perspective writes its state

name = 'Fitting'

onExcelCopy()

onFittingOptionsChange(fit_engine)

React to the fitting algorithm change by modifying window title

onFittingStarted(tabs_for_fitting=None)

Notify tabs listed in tabs_for_fitting that the fitting thread started

onFittingStopped(tabs_for_fitting=None)

Notify tabs listed in tabs_for_fitting that the fitting thread stopped

onLatexCopy()

onParamCopy()

onParamPaste()

onParamSave()

resetTab(index)

Adds a new tab and removes the last tab as a way of resetting the fit tabs

serializeAll()

serializeAllFitpage()

serializeCurrentPage()

setClosable(value=True)

Allow outsiders to close this widget

setData(data_item=None, is_batch=False, tab_index=None)

Assign new dataset to the fitting instance Obtain a QStandardItem object and dissect it to get Data1D/2D Pass it over to the calculator

swapData(data)

Replace the data from the current fitting tab

tabCloses(index)

Update local bookkeeping on tab close

tabsModifiedSignal

updateFitDict(item_key, tab_name)

Create a list if none exists and append if there’s already a list

updateFromConstraints(constraint_dict)

Updates all tabs with constraints present in constraint_dict, where constraint_dict keys are the fit page name, and the value is a list of constraints. A constraint is represented by a list [value, param, value_ex, validate, function] of attributes of a Constraint object

updateFromParameters(parameters)

Pass the update parameters to the current fit page

updateWindowTitle()

Update the window title with the current optimizer name

sas.qtgui.Perspectives.Fitting.FittingUtilities module

sas.qtgui.Perspectives.Fitting.FittingUtilities.addCheckedListToModel(model, param_list)

Add a QItem to model. Makes the QItem checkable

sas.qtgui.Perspectives.Fitting.FittingUtilities.addErrorHeadersToModel(model)

Adds predefined headers to the model

sas.qtgui.Perspectives.Fitting.FittingUtilities.addErrorPolyHeadersToModel(model)

Adds predefined headers to the model

sas.qtgui.Perspectives.Fitting.FittingUtilities.addHeadersToModel(model)

Adds predefined headers to the model

sas.qtgui.Perspectives.Fitting.FittingUtilities.addHeadingRowToModel(model, name)

adds a non-interactive top-level row to the model

sas.qtgui.Perspectives.Fitting.FittingUtilities.addParametersToModel(parameters, kernel_module, is2D, model=None, view=None)

Update local ModelModel with sasmodel parameters. Actually appends to model, if model and view params are not None. Always returns list of lists of QStandardItems.

sas.qtgui.Perspectives.Fitting.FittingUtilities.addPolyHeadersToModel(model)

Adds predefined headers to the model

sas.qtgui.Perspectives.Fitting.FittingUtilities.addShellsToModel(parameters, model, index, row_num=None, view=None)

Find out multishell parameters and update the model with the requested number of them. Inserts them after the row at row_num, if not None; otherwise, appends to end. If view param is not None, supports fixed-choice params. Returns a list of lists of QStandardItem objects.

sas.qtgui.Perspectives.Fitting.FittingUtilities.addSimpleParametersToModel(parameters, is2D, parameters_original=None, model=None, view=None, row_num=None)

Update local ModelModel with sasmodel parameters (non-dispersed, non-magnetic) Actually appends to model, if model and view params are not None. Always returns list of lists of QStandardItems.

parameters_original: list of parameters before any tagging on their IDs, e.g. for product model (so that those are the display names; see below)

sas.qtgui.Perspectives.Fitting.FittingUtilities.binary_encode(i, digits)

sas.qtgui.Perspectives.Fitting.FittingUtilities.calculateChi2(reference_data, current_data, weight)

Calculate Chi2 value between two sets of data

sas.qtgui.Perspectives.Fitting.FittingUtilities.checkConstraints(symtab, constraints)

Compile and evaluate the constraints in the context of the initial values and return the list of errors.

Errors are returned as an html string where errors are tagged with <b> markups: Unknown symbol: tags unknown symbols in constraints Syntax error: tags the beginning of a syntax error in constraints Cyclic dependency: tags comma separated parameters that have cyclic dependency

The errors are wrapped in a <div class = “error”> and a style header is added

sas.qtgui.Perspectives.Fitting.FittingUtilities.createFixedChoiceComboBox(param, item_row)

Determines whether param is a fixed-choice parameter, modifies items in item_row appropriately and returns a combo box containing the fixed choices. Returns None if param is not fixed-choice.

item_row is a list of QStandardItem objects for insertion into the parameter table.

sas.qtgui.Perspectives.Fitting.FittingUtilities.formatParameters(parameters, Check=True)

Prepare the parameter string in the standard SasView layout

sas.qtgui.Perspectives.Fitting.FittingUtilities.formatParametersExcel(parameters)

Prepare the parameter string in the Excel format (tab delimited)

sas.qtgui.Perspectives.Fitting.FittingUtilities.formatParametersLatex(parameters)

Prepare the parameter string in latex

sas.qtgui.Perspectives.Fitting.FittingUtilities.getIterParams(model)

Returns a list of all multi-shell parameters in ‘model’

sas.qtgui.Perspectives.Fitting.FittingUtilities.getMultiplicity(model)

Finds out if ‘model’ has multishell parameters. If so, returns the name of the counter parameter and the number of shells

sas.qtgui.Perspectives.Fitting.FittingUtilities.getOrientationParam(kernel_module=None)

Get the dictionary with orientation parameters

sas.qtgui.Perspectives.Fitting.FittingUtilities.getStandardParam(model=None)

Returns a list with standard parameters for the current model

sas.qtgui.Perspectives.Fitting.FittingUtilities.getWeight(data, is2d, flag=None)

Received flag and compute error on data. :param flag: flag to transform error of data.

sas.qtgui.Perspectives.Fitting.FittingUtilities.isNumber(s)

Checks if string ‘s’ is an int/float

sas.qtgui.Perspectives.Fitting.FittingUtilities.isParamPolydisperse(param_name, kernel_params, is2D=False)

Simple lookup for polydispersity for the given param name

sas.qtgui.Perspectives.Fitting.FittingUtilities.markParameterDisabled(model, row)

Given the QModel row number, format to show it is not available for fitting

sas.qtgui.Perspectives.Fitting.FittingUtilities.plotPolydispersities(model)

sas.qtgui.Perspectives.Fitting.FittingUtilities.plotResiduals(reference_data, current_data, weights)

Create Data1D/Data2D with residuals, ready for plotting

sas.qtgui.Perspectives.Fitting.FittingUtilities.replaceShellName(param_name, value)

Updates parameter name from <param_name>[n_shell] to <param_name>value

sas.qtgui.Perspectives.Fitting.FittingUtilities.residualsData1D(reference_data, current_data, weights)

Calculate the residuals for difference of two Data1D sets

sas.qtgui.Perspectives.Fitting.FittingUtilities.residualsData2D(reference_data, current_data, weight)

Calculate the residuals for difference of two Data2D sets

sas.qtgui.Perspectives.Fitting.FittingUtilities.updateKernelWithResults(kernel, results)

Takes model kernel and applies results dict to its parameters, returning the modified (deep) copy of the kernel.

sas.qtgui.Perspectives.Fitting.FittingWidget module

class sas.qtgui.Perspectives.Fitting.FittingWidget.FittingWidget(parent=None, data=None, tab_id=1)

Bases: PyQt5.QtWidgets.QWidget, sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI.Ui_FittingWidgetUI

Main widget for selecting form and structure factor models

Calc1DFinishedSignal

Calc2DFinishedSignal

MAGNETIC_MODELS = ['sphere', 'core_shell_sphere', 'core_multi_shell', 'cylinder', 'parallelepiped']

SASModelToQModel(model_name, structure_factor=None)

Setting model parameters into table based on selected category

acceptsData()

Tells the caller this widget can accept new dataset

addBackgroundToModel(model)

Adds background parameter with default values to the model

addCheckedMagneticListToModel(param, value)

Wrapper for model update with a subset of magnetic parameters

addConstraintToRow(constraint=None, row=0)

Adds the constraint object to requested row. The constraint is first checked for errors, and a message box interrupting flow is displayed, with the reason of the failure.

addExtraShells()

Add a combobox for multiple shell display

addNameToPolyModel(i, param_name)

Creates a checked row in the poly model with param_name

addScaleToModel(model)

Adds scale parameter with default values to the model

addSimpleConstraint()

Adds a constraint on a single parameter.

addWeightingToData(data)

Adds weighting contribution to fitting data

allParamNames()

Returns a list of all parameter names defined on the current model

batchFitComplete(result)

Receive and display batch fitting results

batchFittingCompleted(result)

Send the finish message from calculate threads to main thread

batchFittingFinishedSignal

calcException(etype, value, tb)

Thread threw an exception.

calculateDataFailed(reason)

Thread returned error

calculateQGridForModel()

Prepare the fitting data object, based on current ModelModel

calculateQGridForModelExt(data=None, model=None, completefn=None, use_threads=True)

Wrapper for Calc1D/2D calls

calculateResiduals(fitted_data)

Calculate and print Chi2 and display chart of residuals. Returns residuals plot object.

canHaveMagnetism()

Checks if the current model has magnetic scattering implemented

changeCheckboxStatus(row, checkbox_status)

Checks/unchecks the checkbox at given row

checkboxSelected(item)

checkedListFromModel(model)

Returns list of checked parameters for given model

complete1D(return_data)

Plot the current 1D data

complete2D(return_data)

Plot the current 2D data

completed1D(return_data)

completed2D(return_data)

constraintAddedSignal

createDefaultDataset()

Generate default Dataset 1D/2D for the given model

createNewIndex(fitted_data)

Create a model or theory index with passed Data1D/Data2D

createPageForParameters(line_dict)

Sets up page with requested model/str factor and fills it up with sent parameters

createTheoryIndex(fitted_data)

Create a QStandardModelIndex containing model data

currentState()

Return fit page with current state

classmethod customModels()

Reads in file names in the custom plugin directory

data

deleteConstraint()

Delete constraints from selected parameters.

deleteConstraintOnParameter(param=None)

Delete the constraint on model parameter ‘param’

deselectParameters()

Selected parameters are removed for fitting

disableInteractiveElements()

Set buttion caption on fitting/calculate start Disable the param table(s)

disableInteractiveElementsOnCalculate()

Set buttion caption on fitting/calculate start Disable the param table(s)

disableModelCombo()

Disable the combobox

disableStructureCombo()

Disable the combobox

editConstraint()

Delete constraints from selected parameters.

enableInteractiveElements()

Set buttion caption on fitting/calculate finish Enable the param table(s)

enableModelCombo()

Enable the combobox

enableStructureCombo()

Enable the combobox

enableStructureFactorControl(structure_factor)

Add structure factors to the list of parameters

fitComplete(result)

Receive and display fitting results “result” is a tuple of actual result list and the fit time in seconds

fitFailed(reason)

fittingCompleted(result)

Send the finish message from calculate threads to main thread

fittingFinishedSignal

fromModelToQModel(model_name)

Setting model parameters into QStandardItemModel based on selected model

fromStructureFactorToQModel(structure_factor)

Setting model parameters into QStandardItemModel based on selected structure factor

getComplexConstraintsForModel()

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

getConstraintForRow(row)

For the given row, return its constraint, if any (otherwise None)

getConstraintObjectsForModel()

Returns Constraint objects present on the whole model

getConstraintsForFitting()

Return a list of constraints in format ready for use in fiting

getConstraintsForModel()

Return a list of tuples. Each tuple contains constraints mapped as (‘constrained parameter’, ‘function to constrain’) e.g. [(‘sld’,‘5*sld_solvent’)]

getCurrentFitState(state=None)

Store current state for fit_page

getFitModel()

serializes combobox state

getFitPage()

serializes full state of this fit page

getFitParameters()

serializes current parameters

getFullConstraintNameListForModel()

Return a list of tuples. Each tuple contains constraints mapped as (‘constrained parameter’, ‘function to constrain’) e.g. [(‘sld’,‘5*M2.sld_solvent’)]. Returns a list of all constraints, not only active ones

getParamNames()

Return list of all parameters for the current model

getParameterDict()

Gather current fitting parameters as dict

getReport()

Create and return HTML report with parameters and charts

getRowFromName(name)

Given parameter name get the row number in self._model_model

getSymbolDict()

Return a dict containing a list of all the symbols used for fitting and their values, e.g. {‘M1.scale’:1, ‘M1.background’: 0.001}

haveParamsToFit()

Finds out if there are any parameters ready to be fitted

info(type, value, tb)

initializeCategoryCombo()

Model category combo setup

initializeControls()

Set initial control enablement

initializeGlobals()

Initialize global variables used in this class

initializeModels()

Set up models and views

initializeSignals()

Connect GUI element signals

initializeWidgets()

Initialize widgets for tabs

isCheckable(row)

isConstraintMultimodel(constraint)

Check if the constraint function text contains current model name

iterateOverMagnetModel(func)

Take func and throw it inside the magnet model row loop

iterateOverModel(func)

Take func and throw it inside the model row loop

iterateOverPolyModel(func)

Take func and throw it inside the poly model row loop

loadAnalysisFile()

Called when the “Open Project” menu item chosen.

loadPageState(pagestate=None)

Load the PageState object and update the current widget

loadPageStateCallback(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.

loadPolydispArray(row_index)

Show the load file dialog and loads requested data into state

logic

methodCalculateForData()

return the method for data calculation

methodCompleteForData()

return the method for result parsin on calc complete

modelContextMenu(rows)

Create context menu for the parameter selection

modelName()

Returns model name, by default M<tab#>, e.g. M1, M2

modifyShellsInList(text)

Add/remove additional multishell parameters

modifyViewOnRow(row, font=None, brush=None)

Change how the given row of the main model is shown

nameForFittedData(name)

Generate name for the current fit

nameFromData(fitted_data)

Return name for the dataset. Terribly impure function.

newModelSignal

onCategoriesChanged()

Reload the category/model comboboxes

onColumnWidthUpdate(index, old_size, new_size)

Simple state update of the current column widths in the param list

onCopyToClipboard(format=None)

Copy current fitting parameters into the clipboard using requested formatting: plain, excel, latex

onCustomModelChange()

Reload the custom model combobox

onDisplayMagneticAngles()

Display a simple image showing direction of magnetic angles

onFit()

Perform fitting on the current data

onHelp()

Show the “Fitting” section of help

onMagnetModelChange(top, bottom)

Callback method for updating the sasmodel magnetic parameters with the GUI values

onMainParamsChange(top, bottom)

Callback method for updating the sasmodel parameters with the GUI values

onMaskedData()

A mask has been applied to current data. Update the Q ranges.

onOptionsUpdate()

Update local option values and replot

onParameterPaste()

Use the clipboard to update fit state

onPlot()

Plot the current set of data

onPolyComboIndexChange(combo_string, row_index)

Modify polydisp. defaults on function choice

onPolyFilenameChange(row_index)

Respond to filename_updated signal from the delegate

onPolyModelChange(top, bottom)

Callback method for updating the main model and sasmodel parameters with the GUI values in the polydispersity view

onSelectBatchFilename(data_index)

Update the logic based on the selected file in batch fitting

onSelectCategory()

Select Category from list

onSelectModel()

Respond to select Model from list event

onSelectStructureFactor()

Select Structure Factor from list

onSelectionChanged()

React to parameter selection

onShowSLDProfile()

Show a quick plot of SLD profile

onSmearingOptionsUpdate()

React to changes in the smearing widget

paramDictFromResults(results)

Given the fit results structure, pull out optimized parameters and return them as nicely formatted dict

paramHasConstraint(param=None)

Finds out if the given parameter in the main model has a constraint child

popFitPage()

Remove top fit page from stack

prepareFitters(fitter=None, fit_id=0)

Prepare the Fitter object for use in fitting

processEffectiveRadius()

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.

pushFitPage(new_page)

Add a new fit page object with current state

readCategoryInfo()

Reads the categories in from file

readCustomCategoryInfo()

Reads the custom model category

readFitPage(fp)

Read in state from a fitpage object and update GUI

recalculatePlotData()

Generate a new dataset for model

regenerateModelDict()

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

replaceConstraintName(old_name, new_name='')

Replace names of models in defined constraints

resetParametersToFit()

Clears the list of parameters to be fitted

respondToModelStructure(model=None, structure_factor=None)

rowHasActiveComplexConstraint(row)

Finds out if row of the main model has an active, nontrivial constraint child

rowHasActiveConstraint(row)

Finds out if row of the main model has an active constraint child

rowHasConstraint(row)

Finds out if row of the main model has a constraint child

saveToFitPage(fp)

Write current state to the given fitpage

selectParameters()

Selected parameter is chosen for fitting

selectedParameters()

Returns list of selected (highlighted) parameters

setDefaultStructureCombo()

Fill in the structure factors combo box with defaults

setEnablementOnDataLoad()

Enable/disable various UI elements based on data loaded

setInteractiveElements(enabled=True)

Switch interactive GUI elements on/off

setMagneticModel()

Set magnetism values on model

setParamEditableByRow(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.

setParameterSelection(status=0, item=None)

Selected parameters are chosen for fitting

setPolyModel()

Set polydispersity values

setPolyModelParameters(i, param)

Standard of multishell poly parameter driver

setTableProperties(table)

Setting table properties

setTheoryItem(item)

Reset the theory item based on the data explorer update

shellNamesList()

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]

showHelp(url)

Calls parent’s method for opening an HTML page

showModelContextMenu(position)

Show context specific menu in the parameter table. When clicked on parameter(s): fitting/constraints options When clicked on white space: model description

showModelDescription()

Creates a window with model description, when right clicked in the treeview

showMultiConstraint()

Show the constraint widget and receive the expression

showPlot()

Show the current plot in MPL

showTheoryPlot()

Show the current theory plot in MPL

stopFit()

Attempt to stop the fitting thread

toggle2D(isChecked)

Enable/disable the controls dependent on 1D/2D data instance

toggleChainFit(isChecked)

Enable/disable chain fitting

toggleMagnetism(isChecked)

Enable/disable the magnetism tab

togglePoly(isChecked)

Enable/disable the polydispersity tab

updateData()

Helper function for recalculation of data used in plotting

updateEffectiveRadius(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).

updateFit()

updateFullMagnetModel(param_dict)

Update the magnetism model with new parameters, create the errors column

updateFullModel(param_dict)

Update the model with new parameters

updateFullPolyModel(param_dict)

Update the polydispersity model with new parameters, create the errors column

updateKernelModelWithExtraParams(model=None)

Updates kernel model ‘model’ with extra parameters from the polydisp and magnetism tab, if the tabs are enabled

updateMagnetModelFromList(param_dict)

Update the magnetic model with new parameters, create the errors column

updateModelFromList(param_dict)

Update the model with new parameters, create the errors column

updateModelIndex(fitted_data)

Update a QStandardModelIndex containing model data

updateMultiplicityCombo(multip)

Find and update the multiplicity combobox

updatePageWithParameters(line_dict, warn_user=True)

Update FitPage with parameters in line_dict

updatePolyModelFromList(param_dict)

Update the polydispersity model with new parameters, create the errors column

updateQRange()

Updates Q Range display

updateUndo()

Create a new state page and add it to the stack

class sas.qtgui.Perspectives.Fitting.FittingWidget.ToolTippedItemModel(parent=None)

Bases: PyQt5.QtGui.QStandardItemModel

Subclass from QStandardItemModel to allow displaying tooltips in QTableView model.

headerData(section, orientation, role=0)

Displays tooltip for each column’s header :param section: :param orientation: :param role: :return:

sas.qtgui.Perspectives.Fitting.FittingWidget.get_weights(self, name)

Returns the polydispersity distribution for parameter name as value and weight arrays.

sas.qtgui.Perspectives.Fitting.GPUOptions module

class sas.qtgui.Perspectives.Fitting.GPUOptions.GPUOptions(parent=None)

Bases: PyQt5.QtWidgets.QDialog, sas.qtgui.Perspectives.Fitting.UI.GPUOptionsUI.Ui_GPUOptions

OpenCL Dialog to select the desired OpenCL driver

accept()

Close the window after modifying the SAS_OPENCL value

addOpenCLOptions()

Populate the window with a list of OpenCL options

checked()

Only allow a single check box to be selected. Uncheck others.

cl_options = None

clicked = False

closeEvent(event)

Overwrite QDialog close method to allow for custom widget close

createLinks()

Link user interactions to function calls

helpButtonClicked()

Open the help menu when the help button is clicked

reject()

Close the window without modifying SAS_OPENCL

sas_open_cl = None

set_sas_open_cl()

Set SAS_OPENCL value when tests run or OK button clicked

testButtonClicked()

Run sasmodels check from here and report results from

testComplete(msg)

Testing done: send signal to main thread with update

testCompleted(msg)

Respond to successful test completion

testFail(msg)

Testing failed: log the reason

testFailed(msg)

Testing failed: log the reason

testThread(no_opencl_msg)

Testing in another thread

testingDoneSignal

testingFailedSignal

updateCounter(step)

Update progress bar with current value

class sas.qtgui.Perspectives.Fitting.GPUOptions.GPUTestResults(parent, msg)

Bases: PyQt5.QtWidgets.QDialog, sas.qtgui.Perspectives.Fitting.UI.GPUTestResultsUI.Ui_GPUTestResults

OpenCL Dialog to modify the OpenCL options

sas.qtgui.Perspectives.Fitting.ModelThread module

Calculation thread for modeling

class sas.qtgui.Perspectives.Fitting.ModelThread.Calc1D(model, page_id, data, fid=None, qmin=None, qmax=None, weight=None, smearer=None, toggle_mode_on=False, state=None, completefn=None, update_chisqr=True, source='model', updatefn=None, yieldtime=0.01, worktime=0.01, exception_handler=None)

Bases: sas.sascalc.data_util.calcthread.CalcThread

Compute 1D data

compute()

Compute model 1d value given qmin , qmax , x value

results()

Send resuts of the computation

class sas.qtgui.Perspectives.Fitting.ModelThread.Calc2D(data, model, smearer, qmin, qmax, page_id, state=None, weight=None, fid=None, toggle_mode_on=False, completefn=None, updatefn=None, update_chisqr=True, source='model', yieldtime=0.04, worktime=0.04, exception_handler=None)

Bases: sas.sascalc.data_util.calcthread.CalcThread

Compute 2D model This calculation assumes a 2-fold symmetry of the model where points are computed for one half of the detector and I(qx, qy) = I(-qx, -qy) is assumed.

compute()

Compute the data given a model function

sas.qtgui.Perspectives.Fitting.MultiConstraint module

Widget for parameter constraints.

class sas.qtgui.Perspectives.Fitting.MultiConstraint.MultiConstraint(parent=None, params=None, constraint=None)

Bases: PyQt5.QtWidgets.QDialog, sas.qtgui.Perspectives.Fitting.UI.MultiConstraintUI.Ui_MultiConstraintUI

Logic class for interacting with MultiConstrainedUI view

onHelp()

Display related help section

revert()

Swap parameters in the view

setupLabels()

Setup labels based on current parameters

setupTooltip()

Tooltip for txtConstraint

validateConstraint(constraint_text)

Ensure the constraint has proper form

validateFormula()

Add visual cues when formula is incorrect

sas.qtgui.Perspectives.Fitting.OptionsWidget module

Widget/logic for smearing data.

class sas.qtgui.Perspectives.Fitting.OptionsWidget.DataWidgetMapper

Bases: PyQt5.QtWidgets.QDataWidgetMapper

Custom version of the standard QDataWidgetMapper allowing for proper response to index change in comboboxes

addMapping(self, QWidget, int)

addMapping(self, QWidget, int, Union[QByteArray, bytes, bytearray])

class sas.qtgui.Perspectives.Fitting.OptionsWidget.OptionsWidget(parent=None, logic=None)

Bases: PyQt5.QtWidgets.QWidget, sas.qtgui.Perspectives.Fitting.UI.OptionsWidgetUI.Ui_tabOptions

MODEL = ['MIN_RANGE', 'MAX_RANGE', 'NPTS', 'NPTS_FIT', 'LOG_SPACED']

NPTS_DEFAULT = 50

QMAX_DEFAULT = 0.5

QMIN_DEFAULT = 0.0005

initMapper()

Initialize model item <-> UI element mapping

initModel()

Initialize the state

npts2fit(data=None, qmin=None, qmax=None, npts=None)

return numbers of data points within qrange :Note: This is to normalize chisq by Npts of fit

onMaskEdit()

Callback for running the mask editor

onModelChange(top, bottom)

Respond to model change by updating the plot

onRangeReset()

Callback for resetting qmin/qmax

onWeightingChoice(button)

Update weighting in the fit state

plot_signal

setEnablementOnDataLoad()

Enable/disable various UI elements based on data loaded

state()

Returns current state of controls

toggleLogData(isChecked)

Toggles between log and linear data sets

updateMaxQ(q_max=None)

updateMinQ(q_min=None)

updateQRange(q_range_min, q_range_max, npts)

Update the local model based on calculated values

sas.qtgui.Perspectives.Fitting.OrderWidget module

Widget/logic for dataset ordering.

class sas.qtgui.Perspectives.Fitting.OrderWidget.OrderWidget(parent=None, all_data=None)

Bases: PyQt5.QtWidgets.QWidget, sas.qtgui.Perspectives.Fitting.UI.OrderWidgetUI.Ui_OrderWidgetUI

ordering()

Returns the current ordering of the datasets

setupTable()

Populate the widget with dataset names in original order

updateData(all_data)

Read in new datasets and update the view

sas.qtgui.Perspectives.Fitting.ReportPageLogic module

class sas.qtgui.Perspectives.Fitting.ReportPageLogic.ReportPageLogic(parent=None, kernel_module=None, data=None, index=None, params=None)

Bases: object

Logic for the Report Page functionality. Refactored from FittingWidget.

buildPlotsForReport(images)

Convert Matplotlib figure ‘fig’ into a <img> tag for HTML use using base64 encoding.

static cleanhtml(raw_html)

Remove html tags from a document

getImages()

Create MPL figures for the current fit

reportHeader()

Look at widget state and extract report header info

reportList()

Return the HTML version of the full report

reportParams()

Look at widget state and extract parameters

sas.qtgui.Perspectives.Fitting.SmearingWidget module

Widget/logic for smearing data.

class sas.qtgui.Perspectives.Fitting.SmearingWidget.DataWidgetMapper

Bases: PyQt5.QtWidgets.QDataWidgetMapper

Custom version of the standard QDataWidgetMapper allowing for proper response to index change in comboboxes

addMapping(self, QWidget, int)

addMapping(self, QWidget, int, Union[QByteArray, bytes, bytearray])

class sas.qtgui.Perspectives.Fitting.SmearingWidget.SmearingWidget(parent=None)

Bases: PyQt5.QtWidgets.QWidget, sas.qtgui.Perspectives.Fitting.UI.SmearingWidgetUI.Ui_SmearingWidgetUI

getSmearInfo()

Get the smear info from data.

Returns:self.smear_type, self.dq_l and self.dq_r, respectively the type of the smear, the average <dq/q> radial(p) and <dq/q> theta (s)s for 2D pinhole resolution in % (slit is not currently supported in 2D), (dq/q)_min and (dq/q)_max for 1D pinhole smeared data, again in %, and dxl and/or dxw for slit smeared data given in 1/A and assumed constant.

initMapper()

Initialize model item <-> UI element mapping

initModel()

Initialize the state

onDQSmear()

Create a custom dQ smear object that will change the way residuals are compute when fitting

onIndexChange(index)

Callback for smearing combobox index change

onModelChange()

Respond to model change by notifying any listeners

onPinholeSmear()

Create a custom pinhole smear object that will change the way residuals are compute when fitting

onSlitSmear()

Create a custom slit smear object that will change the way residuals are compute when fitting

resetSmearer()

setAccuracyVisibility()

Accuracy combobox visibility

setDQLabels()

Use appropriate labels

setElementsVisibility(visible)

Labels and linedits visibility control

setPinholeLabels()

Use pinhole labels

setSlitLabels()

Use pinhole labels

setState(smearing, accuracy, d_down, d_up)

Sets new values for the controls

smearer()

Returns the current smearer

smearingChangedSignal

state()

Returns current state of controls

updateData(data=None)

Update control elements based on data and model passed

updateKernelModel(kernel_model=None, keep_order=False, old_index=None)

Update the model

sas.qtgui.Perspectives.Fitting.ViewDelegate module

class sas.qtgui.Perspectives.Fitting.ViewDelegate.MagnetismViewDelegate(parent=None)

Bases: PyQt5.QtWidgets.QStyledItemDelegate

Custom delegate for appearance and behavior control of the magnetism view

addErrorColumn()

Modify local column pointers Note: the reverse is never required!

createEditor(self, QWidget, QStyleOptionViewItem, QModelIndex) → QWidget

editableParameters()

paint(painter, option, index)

Overwrite generic painter for certain columns

class sas.qtgui.Perspectives.Fitting.ViewDelegate.ModelViewDelegate(parent=None)

Bases: PyQt5.QtWidgets.QStyledItemDelegate

Custom delegate for appearance and behavior control of the model view

addErrorColumn()

Modify local column pointers Note: the reverse is never required!

createEditor(widget, option, index)

Overwrite generic editor for certain columns

fancyColumns()

paint(painter, option, index)

Overwrite generic painter for certain columns

setModelData(editor, model, index)

Overwrite generic model update method for certain columns

class sas.qtgui.Perspectives.Fitting.ViewDelegate.PolyViewDelegate(parent=None)

Bases: PyQt5.QtWidgets.QStyledItemDelegate

Custom delegate for appearance and behavior control of the polydispersity view

POLYDISPERSE_FUNCTIONS = ['rectangle', 'array', 'lognormal', 'gaussian', 'schulz']

addErrorColumn()

Modify local column pointers Note: the reverse is never required!

columnDict()

combo_updated

createEditor(self, QWidget, QStyleOptionViewItem, QModelIndex) → QWidget

editableParameters()

filename_updated

paint(painter, option, index)

Overwrite generic painter for certain columns

Module contents