[60af928] | 1 | import json |
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[cd31251] | 2 | import os |
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[60af928] | 3 | from collections import defaultdict |
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[454670d] | 4 | from itertools import izip |
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[60af928] | 5 | |
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[5236449] | 6 | import logging |
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| 7 | import traceback |
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[cbcdd2c] | 8 | from twisted.internet import threads |
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[1bc27f1] | 9 | import numpy as np |
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[5236449] | 10 | |
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[60af928] | 11 | from PyQt4 import QtGui |
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| 12 | from PyQt4 import QtCore |
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[2add354] | 13 | from PyQt4 import QtWebKit |
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[60af928] | 14 | |
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| 15 | from sasmodels import generate |
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| 16 | from sasmodels import modelinfo |
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[5236449] | 17 | from sasmodels.sasview_model import load_standard_models |
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[358b39d] | 18 | from sasmodels.weights import MODELS as POLYDISPERSITY_MODELS |
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| 19 | |
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[f182f93] | 20 | from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit |
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[5236449] | 21 | |
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[83eb5208] | 22 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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[dc5ef15] | 23 | from sas.qtgui.Utilities.CategoryInstaller import CategoryInstaller |
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| 24 | from sas.qtgui.Plotting.PlotterData import Data1D |
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| 25 | from sas.qtgui.Plotting.PlotterData import Data2D |
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[5236449] | 26 | |
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[1bc27f1] | 27 | from sas.qtgui.Perspectives.Fitting.UI.FittingWidgetUI import Ui_FittingWidgetUI |
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[dc5ef15] | 28 | from sas.qtgui.Perspectives.Fitting.FitThread import FitThread |
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| 29 | from sas.qtgui.Perspectives.Fitting.ModelThread import Calc1D |
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| 30 | from sas.qtgui.Perspectives.Fitting.ModelThread import Calc2D |
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[4d457df] | 31 | from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic |
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| 32 | from sas.qtgui.Perspectives.Fitting import FittingUtilities |
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[1bc27f1] | 33 | from sas.qtgui.Perspectives.Fitting.SmearingWidget import SmearingWidget |
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| 34 | from sas.qtgui.Perspectives.Fitting.OptionsWidget import OptionsWidget |
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| 35 | from sas.qtgui.Perspectives.Fitting.FitPage import FitPage |
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[ad6b4e2] | 36 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import ModelViewDelegate |
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[6011788] | 37 | from sas.qtgui.Perspectives.Fitting.ViewDelegate import PolyViewDelegate |
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[60af928] | 38 | |
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| 39 | TAB_MAGNETISM = 4 |
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| 40 | TAB_POLY = 3 |
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[cbcdd2c] | 41 | CATEGORY_DEFAULT = "Choose category..." |
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[4d457df] | 42 | CATEGORY_STRUCTURE = "Structure Factor" |
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[351b53e] | 43 | STRUCTURE_DEFAULT = "None" |
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[60af928] | 44 | |
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[358b39d] | 45 | DEFAULT_POLYDISP_FUNCTION = 'gaussian' |
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| 46 | |
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[60af928] | 47 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
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| 48 | """ |
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[f46f6dc] | 49 | Main widget for selecting form and structure factor models |
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[60af928] | 50 | """ |
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[1bc27f1] | 51 | def __init__(self, parent=None, data=None, tab_id=1): |
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[60af928] | 52 | |
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| 53 | super(FittingWidget, self).__init__() |
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| 54 | |
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[86f88d1] | 55 | # Necessary globals |
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[cbcdd2c] | 56 | self.parent = parent |
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[2a432e7] | 57 | |
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| 58 | # Which tab is this widget displayed in? |
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| 59 | self.tab_id = tab_id |
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| 60 | |
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| 61 | # Main Data[12]D holder |
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| 62 | self.logic = FittingLogic(data=data) |
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| 63 | |
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| 64 | # Globals |
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| 65 | self.initializeGlobals() |
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| 66 | |
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| 67 | # Main GUI setup up |
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| 68 | self.setupUi(self) |
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| 69 | self.setWindowTitle("Fitting") |
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| 70 | |
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| 71 | # Set up tabs widgets |
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| 72 | self.initializeWidgets() |
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| 73 | |
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| 74 | # Set up models and views |
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| 75 | self.initializeModels() |
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| 76 | |
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| 77 | # Defaults for the structure factors |
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| 78 | self.setDefaultStructureCombo() |
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| 79 | |
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| 80 | # Make structure factor and model CBs disabled |
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| 81 | self.disableModelCombo() |
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| 82 | self.disableStructureCombo() |
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| 83 | |
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| 84 | # Generate the category list for display |
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| 85 | self.initializeCategoryCombo() |
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| 86 | |
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| 87 | # Connect signals to controls |
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| 88 | self.initializeSignals() |
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| 89 | |
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| 90 | # Initial control state |
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| 91 | self.initializeControls() |
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| 92 | |
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| 93 | # Display HTML content |
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| 94 | self.helpView = QtWebKit.QWebView() |
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| 95 | |
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| 96 | self._index = None |
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| 97 | if data is not None: |
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| 98 | self.data = data |
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| 99 | |
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| 100 | def close(self): |
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| 101 | """ |
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| 102 | Remember to kill off things on exit |
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| 103 | """ |
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| 104 | self.helpView.close() |
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| 105 | del self.helpView |
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| 106 | |
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| 107 | @property |
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| 108 | def data(self): |
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| 109 | return self.logic.data |
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| 110 | |
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| 111 | @data.setter |
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| 112 | def data(self, value): |
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| 113 | """ data setter """ |
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| 114 | assert isinstance(value, QtGui.QStandardItem) |
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| 115 | # _index contains the QIndex with data |
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| 116 | self._index = value |
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| 117 | |
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| 118 | # Update logics with data items |
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| 119 | self.logic.data = GuiUtils.dataFromItem(value) |
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| 120 | |
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| 121 | # Overwrite data type descriptor |
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| 122 | self.is2D = True if isinstance(self.logic.data, Data2D) else False |
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| 123 | |
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| 124 | self.data_is_loaded = True |
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| 125 | |
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| 126 | # Enable/disable UI components |
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| 127 | self.setEnablementOnDataLoad() |
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| 128 | |
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| 129 | def initializeGlobals(self): |
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| 130 | """ |
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| 131 | Initialize global variables used in this class |
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| 132 | """ |
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[cbcdd2c] | 133 | # SasModel is loaded |
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[60af928] | 134 | self.model_is_loaded = False |
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[cbcdd2c] | 135 | # Data[12]D passed and set |
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[5236449] | 136 | self.data_is_loaded = False |
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[cbcdd2c] | 137 | # Current SasModel in view |
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[5236449] | 138 | self.kernel_module = None |
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[cbcdd2c] | 139 | # Current SasModel view dimension |
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[60af928] | 140 | self.is2D = False |
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[cbcdd2c] | 141 | # Current SasModel is multishell |
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[86f88d1] | 142 | self.model_has_shells = False |
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[cbcdd2c] | 143 | # Utility variable to enable unselectable option in category combobox |
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[86f88d1] | 144 | self._previous_category_index = 0 |
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[cbcdd2c] | 145 | # Utility variable for multishell display |
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[86f88d1] | 146 | self._last_model_row = 0 |
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[cbcdd2c] | 147 | # Dictionary of {model name: model class} for the current category |
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[5236449] | 148 | self.models = {} |
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[f182f93] | 149 | # Parameters to fit |
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| 150 | self.parameters_to_fit = None |
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[180bd54] | 151 | # Fit options |
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| 152 | self.q_range_min = 0.005 |
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| 153 | self.q_range_max = 0.1 |
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| 154 | self.npts = 25 |
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| 155 | self.log_points = False |
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| 156 | self.weighting = 0 |
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[2add354] | 157 | self.chi2 = None |
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[6011788] | 158 | # Does the control support UNDO/REDO |
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| 159 | # temporarily off |
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[2241130] | 160 | self.undo_supported = False |
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| 161 | self.page_stack = [] |
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[6011788] | 162 | |
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[d48cc19] | 163 | # Data for chosen model |
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| 164 | self.model_data = None |
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| 165 | |
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[a9b568c] | 166 | # Which shell is being currently displayed? |
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| 167 | self.current_shell_displayed = 0 |
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[f182f93] | 168 | self.has_error_column = False |
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[aca8418] | 169 | self.has_poly_error_column = False |
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[a9b568c] | 170 | |
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[2a432e7] | 171 | # signal communicator |
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[cbcdd2c] | 172 | self.communicate = self.parent.communicate |
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[60af928] | 173 | |
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[2a432e7] | 174 | def initializeWidgets(self): |
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| 175 | """ |
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| 176 | Initialize widgets for tabs |
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| 177 | """ |
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[180bd54] | 178 | # Options widget |
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| 179 | layout = QtGui.QGridLayout() |
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| 180 | self.options_widget = OptionsWidget(self, self.logic) |
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[1bc27f1] | 181 | layout.addWidget(self.options_widget) |
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[180bd54] | 182 | self.tabOptions.setLayout(layout) |
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| 183 | |
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[e1e3e09] | 184 | # Smearing widget |
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| 185 | layout = QtGui.QGridLayout() |
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| 186 | self.smearing_widget = SmearingWidget(self) |
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[1bc27f1] | 187 | layout.addWidget(self.smearing_widget) |
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[180bd54] | 188 | self.tabResolution.setLayout(layout) |
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[e1e3e09] | 189 | |
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[b1e36a3] | 190 | # Define bold font for use in various controls |
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[1bc27f1] | 191 | self.boldFont = QtGui.QFont() |
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[a0f5c36] | 192 | self.boldFont.setBold(True) |
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| 193 | |
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| 194 | # Set data label |
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[b1e36a3] | 195 | self.label.setFont(self.boldFont) |
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| 196 | self.label.setText("No data loaded") |
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| 197 | self.lblFilename.setText("") |
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| 198 | |
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[2a432e7] | 199 | def initializeModels(self): |
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| 200 | """ |
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| 201 | Set up models and views |
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| 202 | """ |
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[86f88d1] | 203 | # Set the main models |
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[cd31251] | 204 | # We can't use a single model here, due to restrictions on flattening |
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| 205 | # the model tree with subclassed QAbstractProxyModel... |
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[60af928] | 206 | self._model_model = QtGui.QStandardItemModel() |
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| 207 | self._poly_model = QtGui.QStandardItemModel() |
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| 208 | self._magnet_model = QtGui.QStandardItemModel() |
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| 209 | |
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| 210 | # Param model displayed in param list |
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| 211 | self.lstParams.setModel(self._model_model) |
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[5236449] | 212 | self.readCategoryInfo() |
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[60af928] | 213 | self.model_parameters = None |
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[ad6b4e2] | 214 | |
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| 215 | # Delegates for custom editing and display |
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| 216 | self.lstParams.setItemDelegate(ModelViewDelegate(self)) |
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| 217 | |
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[86f88d1] | 218 | self.lstParams.setAlternatingRowColors(True) |
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[61a92d4] | 219 | stylesheet = """ |
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[2a432e7] | 220 | QTreeView::item:hover { |
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| 221 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1); |
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| 222 | border: 1px solid #bfcde4; |
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[61a92d4] | 223 | } |
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[2a432e7] | 224 | |
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| 225 | QTreeView::item:selected { |
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| 226 | border: 1px solid #567dbc; |
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| 227 | } |
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| 228 | |
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| 229 | QTreeView::item:selected:active{ |
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| 230 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc); |
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| 231 | } |
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| 232 | |
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| 233 | QTreeView::item:selected:!active { |
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| 234 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf); |
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| 235 | } |
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| 236 | """ |
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[61a92d4] | 237 | self.lstParams.setStyleSheet(stylesheet) |
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[672b8ab] | 238 | self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu) |
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[2add354] | 239 | self.lstParams.customContextMenuRequested.connect(self.showModelDescription) |
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[60af928] | 240 | |
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| 241 | # Poly model displayed in poly list |
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[811bec1] | 242 | self.lstPoly.setModel(self._poly_model) |
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[60af928] | 243 | self.setPolyModel() |
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| 244 | self.setTableProperties(self.lstPoly) |
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[6011788] | 245 | # Delegates for custom editing and display |
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[aca8418] | 246 | self.lstPoly.setItemDelegate(PolyViewDelegate(self)) |
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| 247 | # Polydispersity function combo response |
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| 248 | self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange) |
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[60af928] | 249 | |
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| 250 | # Magnetism model displayed in magnetism list |
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| 251 | self.lstMagnetic.setModel(self._magnet_model) |
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| 252 | self.setMagneticModel() |
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| 253 | self.setTableProperties(self.lstMagnetic) |
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| 254 | |
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[2a432e7] | 255 | def initializeCategoryCombo(self): |
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| 256 | """ |
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| 257 | Model category combo setup |
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| 258 | """ |
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[60af928] | 259 | category_list = sorted(self.master_category_dict.keys()) |
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[86f88d1] | 260 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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[60af928] | 261 | self.cbCategory.addItems(category_list) |
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[4d457df] | 262 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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[6f7f652] | 263 | self.cbCategory.setCurrentIndex(0) |
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[60af928] | 264 | |
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[e1e3e09] | 265 | def setEnablementOnDataLoad(self): |
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| 266 | """ |
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| 267 | Enable/disable various UI elements based on data loaded |
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| 268 | """ |
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[cbcdd2c] | 269 | # Tag along functionality |
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[b1e36a3] | 270 | self.label.setText("Data loaded from: ") |
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[a0f5c36] | 271 | self.lblFilename.setText(self.logic.data.filename) |
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[5236449] | 272 | self.updateQRange() |
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[e1e3e09] | 273 | # Switch off Data2D control |
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| 274 | self.chk2DView.setEnabled(False) |
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| 275 | self.chk2DView.setVisible(False) |
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| 276 | self.chkMagnetism.setEnabled(True) |
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[180bd54] | 277 | # Similarly on other tabs |
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| 278 | self.options_widget.setEnablementOnDataLoad() |
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[e1e3e09] | 279 | |
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| 280 | # Smearing tab |
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| 281 | self.smearing_widget.updateSmearing(self.data) |
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[60af928] | 282 | |
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[f46f6dc] | 283 | def acceptsData(self): |
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| 284 | """ Tells the caller this widget can accept new dataset """ |
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[5236449] | 285 | return not self.data_is_loaded |
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[f46f6dc] | 286 | |
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[6f7f652] | 287 | def disableModelCombo(self): |
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[cbcdd2c] | 288 | """ Disable the combobox """ |
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[6f7f652] | 289 | self.cbModel.setEnabled(False) |
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[b1e36a3] | 290 | self.lblModel.setEnabled(False) |
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[6f7f652] | 291 | |
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| 292 | def enableModelCombo(self): |
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[cbcdd2c] | 293 | """ Enable the combobox """ |
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[6f7f652] | 294 | self.cbModel.setEnabled(True) |
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[b1e36a3] | 295 | self.lblModel.setEnabled(True) |
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[6f7f652] | 296 | |
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| 297 | def disableStructureCombo(self): |
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[cbcdd2c] | 298 | """ Disable the combobox """ |
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[6f7f652] | 299 | self.cbStructureFactor.setEnabled(False) |
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[b1e36a3] | 300 | self.lblStructure.setEnabled(False) |
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[6f7f652] | 301 | |
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| 302 | def enableStructureCombo(self): |
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[cbcdd2c] | 303 | """ Enable the combobox """ |
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[6f7f652] | 304 | self.cbStructureFactor.setEnabled(True) |
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[b1e36a3] | 305 | self.lblStructure.setEnabled(True) |
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[6f7f652] | 306 | |
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[0268aed] | 307 | def togglePoly(self, isChecked): |
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[454670d] | 308 | """ Enable/disable the polydispersity tab """ |
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[0268aed] | 309 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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| 310 | |
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| 311 | def toggleMagnetism(self, isChecked): |
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[454670d] | 312 | """ Enable/disable the magnetism tab """ |
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[0268aed] | 313 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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| 314 | |
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| 315 | def toggle2D(self, isChecked): |
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[454670d] | 316 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
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[0268aed] | 317 | self.chkMagnetism.setEnabled(isChecked) |
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| 318 | self.is2D = isChecked |
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[1970780] | 319 | # Reload the current model |
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[e1e3e09] | 320 | if self.kernel_module: |
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| 321 | self.onSelectModel() |
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[5236449] | 322 | |
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[86f88d1] | 323 | def initializeControls(self): |
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| 324 | """ |
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| 325 | Set initial control enablement |
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| 326 | """ |
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| 327 | self.cmdFit.setEnabled(False) |
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[d48cc19] | 328 | self.cmdPlot.setEnabled(False) |
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[180bd54] | 329 | self.options_widget.cmdComputePoints.setVisible(False) # probably redundant |
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[86f88d1] | 330 | self.chkPolydispersity.setEnabled(True) |
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| 331 | self.chkPolydispersity.setCheckState(False) |
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| 332 | self.chk2DView.setEnabled(True) |
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| 333 | self.chk2DView.setCheckState(False) |
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| 334 | self.chkMagnetism.setEnabled(False) |
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| 335 | self.chkMagnetism.setCheckState(False) |
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[cbcdd2c] | 336 | # Tabs |
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[86f88d1] | 337 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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| 338 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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| 339 | self.lblChi2Value.setText("---") |
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[e1e3e09] | 340 | # Smearing tab |
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| 341 | self.smearing_widget.updateSmearing(self.data) |
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[180bd54] | 342 | # Line edits in the option tab |
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| 343 | self.updateQRange() |
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[86f88d1] | 344 | |
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| 345 | def initializeSignals(self): |
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| 346 | """ |
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| 347 | Connect GUI element signals |
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| 348 | """ |
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[cbcdd2c] | 349 | # Comboboxes |
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[cd31251] | 350 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
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| 351 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
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| 352 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
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[cbcdd2c] | 353 | # Checkboxes |
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[86f88d1] | 354 | self.chk2DView.toggled.connect(self.toggle2D) |
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| 355 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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| 356 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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[cbcdd2c] | 357 | # Buttons |
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[5236449] | 358 | self.cmdFit.clicked.connect(self.onFit) |
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[cbcdd2c] | 359 | self.cmdPlot.clicked.connect(self.onPlot) |
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[2add354] | 360 | self.cmdHelp.clicked.connect(self.onHelp) |
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[cbcdd2c] | 361 | |
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| 362 | # Respond to change in parameters from the UI |
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| 363 | self._model_model.itemChanged.connect(self.updateParamsFromModel) |
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[cd31251] | 364 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
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[aca8418] | 365 | |
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[cd31251] | 366 | # TODO after the poly_model prototype accepted |
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| 367 | #self._magnet_model.itemChanged.connect(self.onMagneticModelChange) |
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[86f88d1] | 368 | |
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[180bd54] | 369 | # Signals from separate tabs asking for replot |
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| 370 | self.options_widget.plot_signal.connect(self.onOptionsUpdate) |
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| 371 | |
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[2add354] | 372 | def showModelDescription(self, position): |
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| 373 | """ |
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| 374 | Shows a window with model description, when right clicked in the treeview |
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| 375 | """ |
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| 376 | msg = 'Model description:\n' |
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| 377 | if self.kernel_module is not None: |
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| 378 | if str(self.kernel_module.description).rstrip().lstrip() == '': |
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| 379 | msg += "Sorry, no information is available for this model." |
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| 380 | else: |
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| 381 | msg += self.kernel_module.description + '\n' |
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| 382 | else: |
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| 383 | msg += "You must select a model to get information on this" |
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| 384 | |
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| 385 | menu = QtGui.QMenu() |
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[672b8ab] | 386 | label = QtGui.QLabel(msg) |
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| 387 | action = QtGui.QWidgetAction(self) |
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| 388 | action.setDefaultWidget(label) |
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| 389 | menu.addAction(action) |
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| 390 | menu.exec_(self.lstParams.viewport().mapToGlobal(position)) |
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[2add354] | 391 | |
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[0268aed] | 392 | def onSelectModel(self): |
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[cbcdd2c] | 393 | """ |
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[0268aed] | 394 | Respond to select Model from list event |
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[cbcdd2c] | 395 | """ |
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[0268aed] | 396 | model = str(self.cbModel.currentText()) |
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| 397 | |
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| 398 | # Reset structure factor |
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| 399 | self.cbStructureFactor.setCurrentIndex(0) |
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| 400 | |
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[f182f93] | 401 | # Reset parameters to fit |
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| 402 | self.parameters_to_fit = None |
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[d7ff531] | 403 | self.has_error_column = False |
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[aca8418] | 404 | self.has_poly_error_column = False |
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[f182f93] | 405 | |
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[fd1ae6d1] | 406 | self.respondToModelStructure(model=model, structure_factor=None) |
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| 407 | |
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| 408 | def onSelectStructureFactor(self): |
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| 409 | """ |
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| 410 | Select Structure Factor from list |
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| 411 | """ |
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| 412 | model = str(self.cbModel.currentText()) |
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| 413 | category = str(self.cbCategory.currentText()) |
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| 414 | structure = str(self.cbStructureFactor.currentText()) |
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| 415 | if category == CATEGORY_STRUCTURE: |
---|
| 416 | model = None |
---|
| 417 | self.respondToModelStructure(model=model, structure_factor=structure) |
---|
| 418 | |
---|
| 419 | def respondToModelStructure(self, model=None, structure_factor=None): |
---|
[d48cc19] | 420 | # Set enablement on calculate/plot |
---|
| 421 | self.cmdPlot.setEnabled(True) |
---|
| 422 | |
---|
[fd1ae6d1] | 423 | # kernel parameters -> model_model |
---|
| 424 | self.SASModelToQModel(model, structure_factor) |
---|
[0268aed] | 425 | |
---|
| 426 | if self.data_is_loaded: |
---|
[d48cc19] | 427 | self.cmdPlot.setText("Show Plot") |
---|
[0268aed] | 428 | self.calculateQGridForModel() |
---|
| 429 | else: |
---|
[d48cc19] | 430 | self.cmdPlot.setText("Calculate") |
---|
[0268aed] | 431 | # Create default datasets if no data passed |
---|
| 432 | self.createDefaultDataset() |
---|
| 433 | |
---|
[6011788] | 434 | # Update state stack |
---|
[00b3b40] | 435 | self.updateUndo() |
---|
[2add354] | 436 | |
---|
[cd31251] | 437 | def onSelectCategory(self): |
---|
[60af928] | 438 | """ |
---|
| 439 | Select Category from list |
---|
| 440 | """ |
---|
[4d457df] | 441 | category = str(self.cbCategory.currentText()) |
---|
[86f88d1] | 442 | # Check if the user chose "Choose category entry" |
---|
[4d457df] | 443 | if category == CATEGORY_DEFAULT: |
---|
[86f88d1] | 444 | # if the previous category was not the default, keep it. |
---|
| 445 | # Otherwise, just return |
---|
| 446 | if self._previous_category_index != 0: |
---|
[351b53e] | 447 | # We need to block signals, or else state changes on perceived unchanged conditions |
---|
| 448 | self.cbCategory.blockSignals(True) |
---|
[86f88d1] | 449 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
---|
[351b53e] | 450 | self.cbCategory.blockSignals(False) |
---|
[86f88d1] | 451 | return |
---|
| 452 | |
---|
[4d457df] | 453 | if category == CATEGORY_STRUCTURE: |
---|
[6f7f652] | 454 | self.disableModelCombo() |
---|
| 455 | self.enableStructureCombo() |
---|
[29eb947] | 456 | self._model_model.clear() |
---|
[6f7f652] | 457 | return |
---|
| 458 | |
---|
[cbcdd2c] | 459 | # Safely clear and enable the model combo |
---|
[6f7f652] | 460 | self.cbModel.blockSignals(True) |
---|
| 461 | self.cbModel.clear() |
---|
| 462 | self.cbModel.blockSignals(False) |
---|
| 463 | self.enableModelCombo() |
---|
| 464 | self.disableStructureCombo() |
---|
| 465 | |
---|
[86f88d1] | 466 | self._previous_category_index = self.cbCategory.currentIndex() |
---|
[cbcdd2c] | 467 | # Retrieve the list of models |
---|
[4d457df] | 468 | model_list = self.master_category_dict[category] |
---|
[cbcdd2c] | 469 | # Populate the models combobox |
---|
[b1e36a3] | 470 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
[4d457df] | 471 | |
---|
[0268aed] | 472 | def onPolyModelChange(self, item): |
---|
| 473 | """ |
---|
| 474 | Callback method for updating the main model and sasmodel |
---|
| 475 | parameters with the GUI values in the polydispersity view |
---|
| 476 | """ |
---|
| 477 | model_column = item.column() |
---|
| 478 | model_row = item.row() |
---|
| 479 | name_index = self._poly_model.index(model_row, 0) |
---|
[c1e380e] | 480 | parameter_name = str(name_index.data().toString()).lower() # "distribution of sld" etc. |
---|
| 481 | if "distribution of" in parameter_name: |
---|
[358b39d] | 482 | # just the last word |
---|
| 483 | parameter_name = parameter_name.rsplit()[-1] |
---|
[c1e380e] | 484 | |
---|
[06b0138] | 485 | # Extract changed value. |
---|
[8eaa101] | 486 | if model_column == self.lstPoly.itemDelegate().poly_parameter: |
---|
[00b3b40] | 487 | # Is the parameter checked for fitting? |
---|
[0268aed] | 488 | value = item.checkState() |
---|
[1643d8ed] | 489 | parameter_name = parameter_name + '.width' |
---|
[c1e380e] | 490 | if value == QtCore.Qt.Checked: |
---|
| 491 | self.parameters_to_fit.append(parameter_name) |
---|
| 492 | else: |
---|
| 493 | if parameter_name in self.parameters_to_fit: |
---|
| 494 | self.parameters_to_fit.remove(parameter_name) |
---|
| 495 | return |
---|
[8eaa101] | 496 | elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]: |
---|
[aca8418] | 497 | try: |
---|
| 498 | value = float(item.text()) |
---|
| 499 | except ValueError: |
---|
| 500 | # Can't be converted properly, bring back the old value and exit |
---|
| 501 | return |
---|
| 502 | |
---|
| 503 | current_details = self.kernel_module.details[parameter_name] |
---|
| 504 | current_details[model_column-1] = value |
---|
[8eaa101] | 505 | elif model_column == self.lstPoly.itemDelegate().poly_function: |
---|
[919d47c] | 506 | # name of the function - just pass |
---|
| 507 | return |
---|
[0268aed] | 508 | else: |
---|
| 509 | try: |
---|
| 510 | value = float(item.text()) |
---|
| 511 | except ValueError: |
---|
| 512 | # Can't be converted properly, bring back the old value and exit |
---|
| 513 | return |
---|
| 514 | |
---|
[aca8418] | 515 | # Update the sasmodel |
---|
| 516 | # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas |
---|
[919d47c] | 517 | self.kernel_module.setParam(parameter_name + '.' + \ |
---|
[8eaa101] | 518 | self.lstPoly.itemDelegate().columnDict()[model_column], value) |
---|
[0268aed] | 519 | |
---|
[2add354] | 520 | def onHelp(self): |
---|
| 521 | """ |
---|
| 522 | Show the "Fitting" section of help |
---|
| 523 | """ |
---|
[b0c5e8c] | 524 | tree_location = GuiUtils.HELP_DIRECTORY_LOCATION + "/user/sasgui/perspectives/fitting/" |
---|
[70080a0] | 525 | |
---|
| 526 | # Actual file will depend on the current tab |
---|
| 527 | tab_id = self.tabFitting.currentIndex() |
---|
| 528 | helpfile = "fitting.html" |
---|
| 529 | if tab_id == 0: |
---|
| 530 | helpfile = "fitting_help.html" |
---|
| 531 | elif tab_id == 1: |
---|
| 532 | helpfile = "residuals_help.html" |
---|
| 533 | elif tab_id == 2: |
---|
| 534 | helpfile = "sm_help.html" |
---|
| 535 | elif tab_id == 3: |
---|
| 536 | helpfile = "pd_help.html" |
---|
| 537 | elif tab_id == 4: |
---|
| 538 | helpfile = "mag_help.html" |
---|
| 539 | help_location = tree_location + helpfile |
---|
| 540 | self.helpView.load(QtCore.QUrl(help_location)) |
---|
[2add354] | 541 | self.helpView.show() |
---|
| 542 | |
---|
[0268aed] | 543 | def onFit(self): |
---|
| 544 | """ |
---|
| 545 | Perform fitting on the current data |
---|
| 546 | """ |
---|
[f182f93] | 547 | fitter = Fit() |
---|
| 548 | |
---|
| 549 | # Data going in |
---|
| 550 | data = self.logic.data |
---|
| 551 | model = self.kernel_module |
---|
| 552 | qmin = self.q_range_min |
---|
| 553 | qmax = self.q_range_max |
---|
| 554 | params_to_fit = self.parameters_to_fit |
---|
| 555 | |
---|
[180bd54] | 556 | # Potential weights added directly to data |
---|
[9d266d2] | 557 | self.addWeightingToData(data) |
---|
| 558 | |
---|
[98b13f72] | 559 | # Potential smearing added |
---|
[180bd54] | 560 | # Remember that smearing_min/max can be None -> |
---|
| 561 | # deal with it until Python gets discriminated unions |
---|
[98b13f72] | 562 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
| 563 | |
---|
[f182f93] | 564 | # These should be updating somehow? |
---|
| 565 | fit_id = 0 |
---|
| 566 | constraints = [] |
---|
| 567 | smearer = None |
---|
| 568 | page_id = [210] |
---|
| 569 | handler = None |
---|
| 570 | batch_inputs = {} |
---|
| 571 | batch_outputs = {} |
---|
| 572 | list_page_id = [page_id] |
---|
| 573 | #--------------------------------- |
---|
| 574 | |
---|
| 575 | # Parameterize the fitter |
---|
| 576 | fitter.set_model(model, fit_id, params_to_fit, data=data, |
---|
| 577 | constraints=constraints) |
---|
[2add354] | 578 | |
---|
[f182f93] | 579 | fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, |
---|
| 580 | qmax=qmax) |
---|
| 581 | fitter.select_problem_for_fit(id=fit_id, value=1) |
---|
| 582 | |
---|
| 583 | fitter.fitter_id = page_id |
---|
| 584 | |
---|
| 585 | # Create the fitting thread, based on the fitter |
---|
| 586 | calc_fit = FitThread(handler=handler, |
---|
| 587 | fn=[fitter], |
---|
| 588 | batch_inputs=batch_inputs, |
---|
| 589 | batch_outputs=batch_outputs, |
---|
| 590 | page_id=list_page_id, |
---|
| 591 | updatefn=self.updateFit, |
---|
| 592 | completefn=None) |
---|
| 593 | |
---|
| 594 | # start the trhrhread |
---|
| 595 | calc_thread = threads.deferToThread(calc_fit.compute) |
---|
| 596 | calc_thread.addCallback(self.fitComplete) |
---|
[02ddfb4] | 597 | calc_thread.addErrback(self.fitFailed) |
---|
[f182f93] | 598 | |
---|
| 599 | #disable the Fit button |
---|
[d7ff531] | 600 | self.cmdFit.setText('Calculating...') |
---|
| 601 | self.communicate.statusBarUpdateSignal.emit('Fitting started...') |
---|
[f182f93] | 602 | self.cmdFit.setEnabled(False) |
---|
[0268aed] | 603 | |
---|
[f182f93] | 604 | def updateFit(self): |
---|
| 605 | """ |
---|
| 606 | """ |
---|
| 607 | print "UPDATE FIT" |
---|
[0268aed] | 608 | pass |
---|
| 609 | |
---|
[02ddfb4] | 610 | def fitFailed(self, reason): |
---|
| 611 | """ |
---|
| 612 | """ |
---|
| 613 | print "FIT FAILED: ", reason |
---|
| 614 | pass |
---|
| 615 | |
---|
[f182f93] | 616 | def fitComplete(self, result): |
---|
| 617 | """ |
---|
| 618 | Receive and display fitting results |
---|
| 619 | "result" is a tuple of actual result list and the fit time in seconds |
---|
| 620 | """ |
---|
| 621 | #re-enable the Fit button |
---|
| 622 | self.cmdFit.setText("Fit") |
---|
| 623 | self.cmdFit.setEnabled(True) |
---|
[d7ff531] | 624 | |
---|
| 625 | assert result is not None |
---|
| 626 | |
---|
[f182f93] | 627 | res_list = result[0] |
---|
| 628 | res = res_list[0] |
---|
| 629 | if res.fitness is None or \ |
---|
[180bd54] | 630 | not np.isfinite(res.fitness) or \ |
---|
[1bc27f1] | 631 | np.any(res.pvec is None) or \ |
---|
[180bd54] | 632 | not np.all(np.isfinite(res.pvec)): |
---|
[f182f93] | 633 | msg = "Fitting did not converge!!!" |
---|
[454670d] | 634 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
[f182f93] | 635 | logging.error(msg) |
---|
| 636 | return |
---|
| 637 | |
---|
| 638 | elapsed = result[1] |
---|
| 639 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
---|
| 640 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
| 641 | |
---|
[2add354] | 642 | self.chi2 = res.fitness |
---|
[aca8418] | 643 | param_list = res.param_list # ['radius', 'radius.width'] |
---|
| 644 | param_values = res.pvec # array([ 0.36221662, 0.0146783 ]) |
---|
| 645 | param_stderr = res.stderr # array([ 1.71293015, 1.71294233]) |
---|
[f182f93] | 646 | params_and_errors = zip(param_values, param_stderr) |
---|
| 647 | param_dict = dict(izip(param_list, params_and_errors)) |
---|
| 648 | |
---|
| 649 | # Dictionary of fitted parameter: value, error |
---|
| 650 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
---|
| 651 | self.updateModelFromList(param_dict) |
---|
| 652 | |
---|
[aca8418] | 653 | self.updatePolyModelFromList(param_dict) |
---|
| 654 | |
---|
[d7ff531] | 655 | # update charts |
---|
| 656 | self.onPlot() |
---|
| 657 | |
---|
[f182f93] | 658 | # Read only value - we can get away by just printing it here |
---|
[2add354] | 659 | chi2_repr = GuiUtils.formatNumber(self.chi2, high=True) |
---|
[f182f93] | 660 | self.lblChi2Value.setText(chi2_repr) |
---|
| 661 | |
---|
| 662 | def iterateOverModel(self, func): |
---|
| 663 | """ |
---|
| 664 | Take func and throw it inside the model row loop |
---|
| 665 | """ |
---|
| 666 | for row_i in xrange(self._model_model.rowCount()): |
---|
| 667 | func(row_i) |
---|
| 668 | |
---|
| 669 | def updateModelFromList(self, param_dict): |
---|
| 670 | """ |
---|
| 671 | Update the model with new parameters, create the errors column |
---|
| 672 | """ |
---|
| 673 | assert isinstance(param_dict, dict) |
---|
| 674 | if not dict: |
---|
| 675 | return |
---|
| 676 | |
---|
[919d47c] | 677 | def updateFittedValues(row): |
---|
[f182f93] | 678 | # Utility function for main model update |
---|
[d7ff531] | 679 | # internal so can use closure for param_dict |
---|
[919d47c] | 680 | param_name = str(self._model_model.item(row, 0).text()) |
---|
[f182f93] | 681 | if param_name not in param_dict.keys(): |
---|
| 682 | return |
---|
| 683 | # modify the param value |
---|
[454670d] | 684 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
[919d47c] | 685 | self._model_model.item(row, 1).setText(param_repr) |
---|
[f182f93] | 686 | if self.has_error_column: |
---|
[454670d] | 687 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
[919d47c] | 688 | self._model_model.item(row, 2).setText(error_repr) |
---|
[f182f93] | 689 | |
---|
[919d47c] | 690 | def updatePolyValues(row): |
---|
| 691 | # Utility function for updateof polydispersity part of the main model |
---|
| 692 | param_name = str(self._model_model.item(row, 0).text())+'.width' |
---|
| 693 | if param_name not in param_dict.keys(): |
---|
| 694 | return |
---|
| 695 | # modify the param value |
---|
| 696 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 697 | self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr) |
---|
| 698 | |
---|
| 699 | def createErrorColumn(row): |
---|
[f182f93] | 700 | # Utility function for error column update |
---|
| 701 | item = QtGui.QStandardItem() |
---|
[919d47c] | 702 | def createItem(param_name): |
---|
[f182f93] | 703 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 704 | item.setText(error_repr) |
---|
[919d47c] | 705 | def curr_param(): |
---|
| 706 | return str(self._model_model.item(row, 0).text()) |
---|
| 707 | |
---|
| 708 | [createItem(param_name) for param_name in param_dict.keys() if curr_param() == param_name] |
---|
| 709 | |
---|
[f182f93] | 710 | error_column.append(item) |
---|
| 711 | |
---|
[2da5759] | 712 | # block signals temporarily, so we don't end up |
---|
| 713 | # updating charts with every single model change on the end of fitting |
---|
| 714 | self._model_model.blockSignals(True) |
---|
[d7ff531] | 715 | self.iterateOverModel(updateFittedValues) |
---|
[919d47c] | 716 | self.iterateOverModel(updatePolyValues) |
---|
[2da5759] | 717 | self._model_model.blockSignals(False) |
---|
[f182f93] | 718 | |
---|
| 719 | if self.has_error_column: |
---|
| 720 | return |
---|
| 721 | |
---|
| 722 | error_column = [] |
---|
[d7ff531] | 723 | self.iterateOverModel(createErrorColumn) |
---|
[f182f93] | 724 | |
---|
[d7ff531] | 725 | # switch off reponse to model change |
---|
| 726 | self._model_model.blockSignals(True) |
---|
[f182f93] | 727 | self._model_model.insertColumn(2, error_column) |
---|
[d7ff531] | 728 | self._model_model.blockSignals(False) |
---|
[f182f93] | 729 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
---|
[d7ff531] | 730 | # Adjust the table cells width. |
---|
| 731 | # TODO: find a way to dynamically adjust column width while resized expanding |
---|
| 732 | self.lstParams.resizeColumnToContents(0) |
---|
| 733 | self.lstParams.resizeColumnToContents(4) |
---|
| 734 | self.lstParams.resizeColumnToContents(5) |
---|
| 735 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 736 | |
---|
| 737 | self.has_error_column = True |
---|
[f182f93] | 738 | |
---|
[aca8418] | 739 | def updatePolyModelFromList(self, param_dict): |
---|
| 740 | """ |
---|
| 741 | Update the polydispersity model with new parameters, create the errors column |
---|
| 742 | """ |
---|
| 743 | assert isinstance(param_dict, dict) |
---|
| 744 | if not dict: |
---|
| 745 | return |
---|
| 746 | |
---|
| 747 | def updateFittedValues(row_i): |
---|
| 748 | # Utility function for main model update |
---|
| 749 | # internal so can use closure for param_dict |
---|
| 750 | if row_i >= self._poly_model.rowCount(): |
---|
| 751 | return |
---|
| 752 | param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
| 753 | if param_name not in param_dict.keys(): |
---|
| 754 | return |
---|
| 755 | # modify the param value |
---|
| 756 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 757 | self._poly_model.item(row_i, 1).setText(param_repr) |
---|
| 758 | if self.has_poly_error_column: |
---|
| 759 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 760 | self._poly_model.item(row_i, 2).setText(error_repr) |
---|
| 761 | |
---|
[919d47c] | 762 | |
---|
[aca8418] | 763 | def createErrorColumn(row_i): |
---|
| 764 | # Utility function for error column update |
---|
| 765 | if row_i >= self._poly_model.rowCount(): |
---|
| 766 | return |
---|
| 767 | item = QtGui.QStandardItem() |
---|
[919d47c] | 768 | |
---|
| 769 | def createItem(param_name): |
---|
[aca8418] | 770 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 771 | item.setText(error_repr) |
---|
[919d47c] | 772 | |
---|
| 773 | def poly_param(): |
---|
| 774 | return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
| 775 | |
---|
| 776 | [createItem(param_name) for param_name in param_dict.keys() if poly_param() == param_name] |
---|
| 777 | |
---|
[aca8418] | 778 | error_column.append(item) |
---|
| 779 | |
---|
| 780 | # block signals temporarily, so we don't end up |
---|
| 781 | # updating charts with every single model change on the end of fitting |
---|
| 782 | self._poly_model.blockSignals(True) |
---|
| 783 | self.iterateOverModel(updateFittedValues) |
---|
| 784 | self._poly_model.blockSignals(False) |
---|
| 785 | |
---|
| 786 | if self.has_poly_error_column: |
---|
| 787 | return |
---|
| 788 | |
---|
[8eaa101] | 789 | self.lstPoly.itemDelegate().addErrorColumn() |
---|
[aca8418] | 790 | error_column = [] |
---|
| 791 | self.iterateOverModel(createErrorColumn) |
---|
| 792 | |
---|
| 793 | # switch off reponse to model change |
---|
| 794 | self._poly_model.blockSignals(True) |
---|
| 795 | self._poly_model.insertColumn(2, error_column) |
---|
| 796 | self._poly_model.blockSignals(False) |
---|
| 797 | FittingUtilities.addErrorPolyHeadersToModel(self._poly_model) |
---|
| 798 | |
---|
| 799 | self.has_poly_error_column = True |
---|
| 800 | |
---|
[0268aed] | 801 | def onPlot(self): |
---|
| 802 | """ |
---|
| 803 | Plot the current set of data |
---|
| 804 | """ |
---|
[d48cc19] | 805 | # Regardless of previous state, this should now be `plot show` functionality only |
---|
| 806 | self.cmdPlot.setText("Show Plot") |
---|
[1bc27f1] | 807 | if not self.data_is_loaded: |
---|
| 808 | self.recalculatePlotData() |
---|
[d48cc19] | 809 | self.showPlot() |
---|
| 810 | |
---|
| 811 | def recalculatePlotData(self): |
---|
| 812 | """ |
---|
| 813 | Generate a new dataset for model |
---|
| 814 | """ |
---|
[180bd54] | 815 | if not self.data_is_loaded: |
---|
[0268aed] | 816 | self.createDefaultDataset() |
---|
| 817 | self.calculateQGridForModel() |
---|
| 818 | |
---|
[d48cc19] | 819 | def showPlot(self): |
---|
| 820 | """ |
---|
| 821 | Show the current plot in MPL |
---|
| 822 | """ |
---|
| 823 | # Show the chart if ready |
---|
| 824 | data_to_show = self.data if self.data_is_loaded else self.model_data |
---|
| 825 | if data_to_show is not None: |
---|
| 826 | self.communicate.plotRequestedSignal.emit([data_to_show]) |
---|
| 827 | |
---|
[180bd54] | 828 | def onOptionsUpdate(self): |
---|
[0268aed] | 829 | """ |
---|
[180bd54] | 830 | Update local option values and replot |
---|
[0268aed] | 831 | """ |
---|
[180bd54] | 832 | self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ |
---|
| 833 | self.options_widget.state() |
---|
[61a92d4] | 834 | # set Q range labels on the main tab |
---|
| 835 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 836 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
[d48cc19] | 837 | self.recalculatePlotData() |
---|
[6c8fb2c] | 838 | |
---|
[0268aed] | 839 | def setDefaultStructureCombo(self): |
---|
| 840 | """ |
---|
| 841 | Fill in the structure factors combo box with defaults |
---|
| 842 | """ |
---|
| 843 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
---|
| 844 | factors = [factor[0] for factor in structure_factor_list] |
---|
| 845 | factors.insert(0, STRUCTURE_DEFAULT) |
---|
| 846 | self.cbStructureFactor.clear() |
---|
| 847 | self.cbStructureFactor.addItems(sorted(factors)) |
---|
| 848 | |
---|
[4d457df] | 849 | def createDefaultDataset(self): |
---|
| 850 | """ |
---|
| 851 | Generate default Dataset 1D/2D for the given model |
---|
| 852 | """ |
---|
| 853 | # Create default datasets if no data passed |
---|
| 854 | if self.is2D: |
---|
[180bd54] | 855 | qmax = self.q_range_max/np.sqrt(2) |
---|
[4d457df] | 856 | qstep = self.npts |
---|
| 857 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
---|
[180bd54] | 858 | return |
---|
| 859 | elif self.log_points: |
---|
| 860 | qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) |
---|
[1bc27f1] | 861 | qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) |
---|
[180bd54] | 862 | interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) |
---|
[4d457df] | 863 | else: |
---|
[180bd54] | 864 | interval = np.linspace(start=self.q_range_min, stop=self.q_range_max, |
---|
[1bc27f1] | 865 | num=self.npts, endpoint=True) |
---|
[180bd54] | 866 | self.logic.createDefault1dData(interval, self.tab_id) |
---|
[60af928] | 867 | |
---|
[5236449] | 868 | def readCategoryInfo(self): |
---|
[60af928] | 869 | """ |
---|
| 870 | Reads the categories in from file |
---|
| 871 | """ |
---|
| 872 | self.master_category_dict = defaultdict(list) |
---|
| 873 | self.by_model_dict = defaultdict(list) |
---|
| 874 | self.model_enabled_dict = defaultdict(bool) |
---|
| 875 | |
---|
[cbcdd2c] | 876 | categorization_file = CategoryInstaller.get_user_file() |
---|
| 877 | if not os.path.isfile(categorization_file): |
---|
| 878 | categorization_file = CategoryInstaller.get_default_file() |
---|
| 879 | with open(categorization_file, 'rb') as cat_file: |
---|
[60af928] | 880 | self.master_category_dict = json.load(cat_file) |
---|
[5236449] | 881 | self.regenerateModelDict() |
---|
[60af928] | 882 | |
---|
[5236449] | 883 | # Load the model dict |
---|
| 884 | models = load_standard_models() |
---|
| 885 | for model in models: |
---|
| 886 | self.models[model.name] = model |
---|
| 887 | |
---|
| 888 | def regenerateModelDict(self): |
---|
[60af928] | 889 | """ |
---|
[cbcdd2c] | 890 | Regenerates self.by_model_dict which has each model name as the |
---|
[60af928] | 891 | key and the list of categories belonging to that model |
---|
| 892 | along with the enabled mapping |
---|
| 893 | """ |
---|
| 894 | self.by_model_dict = defaultdict(list) |
---|
| 895 | for category in self.master_category_dict: |
---|
| 896 | for (model, enabled) in self.master_category_dict[category]: |
---|
| 897 | self.by_model_dict[model].append(category) |
---|
| 898 | self.model_enabled_dict[model] = enabled |
---|
| 899 | |
---|
[86f88d1] | 900 | def addBackgroundToModel(self, model): |
---|
| 901 | """ |
---|
| 902 | Adds background parameter with default values to the model |
---|
| 903 | """ |
---|
[cbcdd2c] | 904 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 905 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
---|
[4d457df] | 906 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[2add354] | 907 | last_row = model.rowCount()-1 |
---|
| 908 | model.item(last_row, 0).setEditable(False) |
---|
| 909 | model.item(last_row, 4).setEditable(False) |
---|
[86f88d1] | 910 | |
---|
| 911 | def addScaleToModel(self, model): |
---|
| 912 | """ |
---|
| 913 | Adds scale parameter with default values to the model |
---|
| 914 | """ |
---|
[cbcdd2c] | 915 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 916 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
---|
[4d457df] | 917 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[2add354] | 918 | last_row = model.rowCount()-1 |
---|
| 919 | model.item(last_row, 0).setEditable(False) |
---|
| 920 | model.item(last_row, 4).setEditable(False) |
---|
[86f88d1] | 921 | |
---|
[9d266d2] | 922 | def addWeightingToData(self, data): |
---|
| 923 | """ |
---|
| 924 | Adds weighting contribution to fitting data |
---|
[1bc27f1] | 925 | """ |
---|
[e1e3e09] | 926 | # Send original data for weighting |
---|
[dc5ef15] | 927 | weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) |
---|
[180bd54] | 928 | update_module = data.err_data if self.is2D else data.dy |
---|
[6964d44] | 929 | # Overwrite relevant values in data |
---|
[180bd54] | 930 | update_module = weight |
---|
[9d266d2] | 931 | |
---|
[0268aed] | 932 | def updateQRange(self): |
---|
| 933 | """ |
---|
| 934 | Updates Q Range display |
---|
| 935 | """ |
---|
| 936 | if self.data_is_loaded: |
---|
| 937 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
| 938 | # set Q range labels on the main tab |
---|
| 939 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 940 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
| 941 | # set Q range labels on the options tab |
---|
[180bd54] | 942 | self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) |
---|
[0268aed] | 943 | |
---|
[4d457df] | 944 | def SASModelToQModel(self, model_name, structure_factor=None): |
---|
[60af928] | 945 | """ |
---|
[cbcdd2c] | 946 | Setting model parameters into table based on selected category |
---|
[60af928] | 947 | """ |
---|
| 948 | # Crete/overwrite model items |
---|
| 949 | self._model_model.clear() |
---|
[5236449] | 950 | |
---|
[fd1ae6d1] | 951 | # First, add parameters from the main model |
---|
| 952 | if model_name is not None: |
---|
| 953 | self.fromModelToQModel(model_name) |
---|
[5236449] | 954 | |
---|
[fd1ae6d1] | 955 | # Then, add structure factor derived parameters |
---|
[cd31251] | 956 | if structure_factor is not None and structure_factor != "None": |
---|
[fd1ae6d1] | 957 | if model_name is None: |
---|
| 958 | # Instantiate the current sasmodel for SF-only models |
---|
| 959 | self.kernel_module = self.models[structure_factor]() |
---|
| 960 | self.fromStructureFactorToQModel(structure_factor) |
---|
[cd31251] | 961 | else: |
---|
[fd1ae6d1] | 962 | # Allow the SF combobox visibility for the given sasmodel |
---|
| 963 | self.enableStructureFactorControl(structure_factor) |
---|
[cd31251] | 964 | |
---|
[fd1ae6d1] | 965 | # Then, add multishells |
---|
| 966 | if model_name is not None: |
---|
| 967 | # Multishell models need additional treatment |
---|
| 968 | self.addExtraShells() |
---|
[86f88d1] | 969 | |
---|
[5236449] | 970 | # Add polydispersity to the model |
---|
[86f88d1] | 971 | self.setPolyModel() |
---|
[5236449] | 972 | # Add magnetic parameters to the model |
---|
[86f88d1] | 973 | self.setMagneticModel() |
---|
[5236449] | 974 | |
---|
[a9b568c] | 975 | # Adjust the table cells width |
---|
| 976 | self.lstParams.resizeColumnToContents(0) |
---|
| 977 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 978 | |
---|
[5236449] | 979 | # Now we claim the model has been loaded |
---|
[86f88d1] | 980 | self.model_is_loaded = True |
---|
| 981 | |
---|
[fd1ae6d1] | 982 | # (Re)-create headers |
---|
| 983 | FittingUtilities.addHeadersToModel(self._model_model) |
---|
[6964d44] | 984 | self.lstParams.header().setFont(self.boldFont) |
---|
[fd1ae6d1] | 985 | |
---|
[5236449] | 986 | # Update Q Ranges |
---|
| 987 | self.updateQRange() |
---|
| 988 | |
---|
[fd1ae6d1] | 989 | def fromModelToQModel(self, model_name): |
---|
| 990 | """ |
---|
| 991 | Setting model parameters into QStandardItemModel based on selected _model_ |
---|
| 992 | """ |
---|
| 993 | kernel_module = generate.load_kernel_module(model_name) |
---|
| 994 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
| 995 | |
---|
| 996 | # Instantiate the current sasmodel |
---|
| 997 | self.kernel_module = self.models[model_name]() |
---|
| 998 | |
---|
| 999 | # Explicitly add scale and background with default values |
---|
[6964d44] | 1000 | temp_undo_state = self.undo_supported |
---|
| 1001 | self.undo_supported = False |
---|
[fd1ae6d1] | 1002 | self.addScaleToModel(self._model_model) |
---|
| 1003 | self.addBackgroundToModel(self._model_model) |
---|
[6964d44] | 1004 | self.undo_supported = temp_undo_state |
---|
[fd1ae6d1] | 1005 | |
---|
| 1006 | # Update the QModel |
---|
[aca8418] | 1007 | new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D) |
---|
| 1008 | |
---|
[fd1ae6d1] | 1009 | for row in new_rows: |
---|
| 1010 | self._model_model.appendRow(row) |
---|
| 1011 | # Update the counter used for multishell display |
---|
| 1012 | self._last_model_row = self._model_model.rowCount() |
---|
| 1013 | |
---|
| 1014 | def fromStructureFactorToQModel(self, structure_factor): |
---|
| 1015 | """ |
---|
| 1016 | Setting model parameters into QStandardItemModel based on selected _structure factor_ |
---|
| 1017 | """ |
---|
| 1018 | structure_module = generate.load_kernel_module(structure_factor) |
---|
| 1019 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
---|
| 1020 | |
---|
| 1021 | new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D) |
---|
| 1022 | for row in new_rows: |
---|
| 1023 | self._model_model.appendRow(row) |
---|
| 1024 | # Update the counter used for multishell display |
---|
| 1025 | self._last_model_row = self._model_model.rowCount() |
---|
| 1026 | |
---|
[cd31251] | 1027 | def updateParamsFromModel(self, item): |
---|
| 1028 | """ |
---|
| 1029 | Callback method for updating the sasmodel parameters with the GUI values |
---|
| 1030 | """ |
---|
[cbcdd2c] | 1031 | model_column = item.column() |
---|
[cd31251] | 1032 | |
---|
| 1033 | if model_column == 0: |
---|
[f182f93] | 1034 | self.checkboxSelected(item) |
---|
[2add354] | 1035 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
[6964d44] | 1036 | # Update state stack |
---|
| 1037 | self.updateUndo() |
---|
[cd31251] | 1038 | return |
---|
| 1039 | |
---|
[f182f93] | 1040 | model_row = item.row() |
---|
| 1041 | name_index = self._model_model.index(model_row, 0) |
---|
| 1042 | |
---|
[cd31251] | 1043 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
---|
[2add354] | 1044 | try: |
---|
| 1045 | value = float(item.text()) |
---|
| 1046 | except ValueError: |
---|
| 1047 | # Unparsable field |
---|
| 1048 | return |
---|
[cbcdd2c] | 1049 | parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. |
---|
[00b3b40] | 1050 | property_index = self._model_model.headerData(1, model_column).toInt()[0]-1 # Value, min, max, etc. |
---|
[cbcdd2c] | 1051 | |
---|
[00b3b40] | 1052 | # Update the parameter value - note: this supports +/-inf as well |
---|
[cbcdd2c] | 1053 | self.kernel_module.params[parameter_name] = value |
---|
| 1054 | |
---|
| 1055 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
[00b3b40] | 1056 | self.kernel_module.details[parameter_name][property_index] = value |
---|
| 1057 | |
---|
| 1058 | # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
| 1059 | # TODO: multishell params in self.kernel_module.details[??] = value |
---|
[cbcdd2c] | 1060 | |
---|
[d7ff531] | 1061 | # Force the chart update when actual parameters changed |
---|
| 1062 | if model_column == 1: |
---|
[d48cc19] | 1063 | self.recalculatePlotData() |
---|
[7d077d1] | 1064 | |
---|
[2241130] | 1065 | # Update state stack |
---|
[00b3b40] | 1066 | self.updateUndo() |
---|
[2241130] | 1067 | |
---|
[f182f93] | 1068 | def checkboxSelected(self, item): |
---|
| 1069 | # Assure we're dealing with checkboxes |
---|
| 1070 | if not item.isCheckable(): |
---|
| 1071 | return |
---|
| 1072 | status = item.checkState() |
---|
| 1073 | |
---|
| 1074 | def isCheckable(row): |
---|
| 1075 | return self._model_model.item(row, 0).isCheckable() |
---|
| 1076 | |
---|
| 1077 | # If multiple rows selected - toggle all of them, filtering uncheckable |
---|
| 1078 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] |
---|
| 1079 | |
---|
| 1080 | # Switch off signaling from the model to avoid recursion |
---|
| 1081 | self._model_model.blockSignals(True) |
---|
| 1082 | # Convert to proper indices and set requested enablement |
---|
[aca8418] | 1083 | [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
---|
[f182f93] | 1084 | self._model_model.blockSignals(False) |
---|
| 1085 | |
---|
| 1086 | # update the list of parameters to fit |
---|
[c1e380e] | 1087 | main_params = self.checkedListFromModel(self._model_model) |
---|
| 1088 | poly_params = self.checkedListFromModel(self._poly_model) |
---|
| 1089 | # Retrieve poly params names |
---|
[358b39d] | 1090 | poly_params = [param.rsplit()[-1] + '.width' for param in poly_params] |
---|
[c1e380e] | 1091 | # TODO : add magnetic params |
---|
| 1092 | |
---|
| 1093 | self.parameters_to_fit = main_params + poly_params |
---|
| 1094 | |
---|
| 1095 | def checkedListFromModel(self, model): |
---|
| 1096 | """ |
---|
| 1097 | Returns list of checked parameters for given model |
---|
| 1098 | """ |
---|
| 1099 | def isChecked(row): |
---|
| 1100 | return model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
| 1101 | |
---|
| 1102 | return [str(model.item(row_index, 0).text()) |
---|
| 1103 | for row_index in xrange(model.rowCount()) |
---|
| 1104 | if isChecked(row_index)] |
---|
[f182f93] | 1105 | |
---|
[6fd4e36] | 1106 | def nameForFittedData(self, name): |
---|
[5236449] | 1107 | """ |
---|
[6fd4e36] | 1108 | Generate name for the current fit |
---|
[5236449] | 1109 | """ |
---|
| 1110 | if self.is2D: |
---|
| 1111 | name += "2d" |
---|
| 1112 | name = "M%i [%s]" % (self.tab_id, name) |
---|
[6fd4e36] | 1113 | return name |
---|
| 1114 | |
---|
| 1115 | def createNewIndex(self, fitted_data): |
---|
| 1116 | """ |
---|
| 1117 | Create a model or theory index with passed Data1D/Data2D |
---|
| 1118 | """ |
---|
| 1119 | if self.data_is_loaded: |
---|
[0268aed] | 1120 | if not fitted_data.name: |
---|
| 1121 | name = self.nameForFittedData(self.data.filename) |
---|
| 1122 | fitted_data.title = name |
---|
| 1123 | fitted_data.name = name |
---|
| 1124 | fitted_data.filename = name |
---|
[7d077d1] | 1125 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 1126 | self.updateModelIndex(fitted_data) |
---|
| 1127 | else: |
---|
[0268aed] | 1128 | name = self.nameForFittedData(self.kernel_module.name) |
---|
| 1129 | fitted_data.title = name |
---|
| 1130 | fitted_data.name = name |
---|
| 1131 | fitted_data.filename = name |
---|
| 1132 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 1133 | self.createTheoryIndex(fitted_data) |
---|
| 1134 | |
---|
| 1135 | def updateModelIndex(self, fitted_data): |
---|
| 1136 | """ |
---|
| 1137 | Update a QStandardModelIndex containing model data |
---|
| 1138 | """ |
---|
[00b3b40] | 1139 | name = self.nameFromData(fitted_data) |
---|
[0268aed] | 1140 | # Make this a line if no other defined |
---|
[7d077d1] | 1141 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
---|
[0268aed] | 1142 | fitted_data.symbol = 'Line' |
---|
[6fd4e36] | 1143 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
| 1144 | GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) |
---|
| 1145 | |
---|
| 1146 | def createTheoryIndex(self, fitted_data): |
---|
| 1147 | """ |
---|
| 1148 | Create a QStandardModelIndex containing model data |
---|
| 1149 | """ |
---|
[00b3b40] | 1150 | name = self.nameFromData(fitted_data) |
---|
| 1151 | # Notify the GUI manager so it can create the theory model in DataExplorer |
---|
| 1152 | new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) |
---|
| 1153 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
---|
| 1154 | |
---|
| 1155 | def nameFromData(self, fitted_data): |
---|
| 1156 | """ |
---|
| 1157 | Return name for the dataset. Terribly impure function. |
---|
| 1158 | """ |
---|
[0268aed] | 1159 | if fitted_data.name is None: |
---|
[00b3b40] | 1160 | name = self.nameForFittedData(self.logic.data.filename) |
---|
[0268aed] | 1161 | fitted_data.title = name |
---|
| 1162 | fitted_data.name = name |
---|
| 1163 | fitted_data.filename = name |
---|
| 1164 | else: |
---|
| 1165 | name = fitted_data.name |
---|
[00b3b40] | 1166 | return name |
---|
[5236449] | 1167 | |
---|
[4d457df] | 1168 | def methodCalculateForData(self): |
---|
| 1169 | '''return the method for data calculation''' |
---|
| 1170 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
| 1171 | |
---|
| 1172 | def methodCompleteForData(self): |
---|
| 1173 | '''return the method for result parsin on calc complete ''' |
---|
| 1174 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
| 1175 | |
---|
[b1e36a3] | 1176 | def calculateQGridForModel(self): |
---|
[86f88d1] | 1177 | """ |
---|
| 1178 | Prepare the fitting data object, based on current ModelModel |
---|
| 1179 | """ |
---|
[180bd54] | 1180 | if self.kernel_module is None: |
---|
| 1181 | return |
---|
[4d457df] | 1182 | # Awful API to a backend method. |
---|
| 1183 | method = self.methodCalculateForData()(data=self.data, |
---|
[1bc27f1] | 1184 | model=self.kernel_module, |
---|
| 1185 | page_id=0, |
---|
| 1186 | qmin=self.q_range_min, |
---|
| 1187 | qmax=self.q_range_max, |
---|
| 1188 | smearer=None, |
---|
| 1189 | state=None, |
---|
| 1190 | weight=None, |
---|
| 1191 | fid=None, |
---|
| 1192 | toggle_mode_on=False, |
---|
| 1193 | completefn=None, |
---|
| 1194 | update_chisqr=True, |
---|
| 1195 | exception_handler=self.calcException, |
---|
| 1196 | source=None) |
---|
[4d457df] | 1197 | |
---|
| 1198 | calc_thread = threads.deferToThread(method.compute) |
---|
| 1199 | calc_thread.addCallback(self.methodCompleteForData()) |
---|
[c1e380e] | 1200 | calc_thread.addErrback(self.calculateDataFailed) |
---|
[6964d44] | 1201 | |
---|
[aca8418] | 1202 | def calculateDataFailed(self, reason): |
---|
[6964d44] | 1203 | """ |
---|
[c1e380e] | 1204 | Thread returned error |
---|
[6964d44] | 1205 | """ |
---|
[aca8418] | 1206 | print "Calculate Data failed with ", reason |
---|
[5236449] | 1207 | |
---|
[cbcdd2c] | 1208 | def complete1D(self, return_data): |
---|
[5236449] | 1209 | """ |
---|
[4d457df] | 1210 | Plot the current 1D data |
---|
| 1211 | """ |
---|
[d48cc19] | 1212 | fitted_data = self.logic.new1DPlot(return_data, self.tab_id) |
---|
| 1213 | self.calculateResiduals(fitted_data) |
---|
| 1214 | self.model_data = fitted_data |
---|
[cbcdd2c] | 1215 | |
---|
| 1216 | def complete2D(self, return_data): |
---|
| 1217 | """ |
---|
[4d457df] | 1218 | Plot the current 2D data |
---|
| 1219 | """ |
---|
[6fd4e36] | 1220 | fitted_data = self.logic.new2DPlot(return_data) |
---|
| 1221 | self.calculateResiduals(fitted_data) |
---|
[d48cc19] | 1222 | self.model_data = fitted_data |
---|
[6fd4e36] | 1223 | |
---|
| 1224 | def calculateResiduals(self, fitted_data): |
---|
| 1225 | """ |
---|
| 1226 | Calculate and print Chi2 and display chart of residuals |
---|
| 1227 | """ |
---|
| 1228 | # Create a new index for holding data |
---|
[7d077d1] | 1229 | fitted_data.symbol = "Line" |
---|
[6964d44] | 1230 | |
---|
| 1231 | # Modify fitted_data with weighting |
---|
| 1232 | self.addWeightingToData(fitted_data) |
---|
| 1233 | |
---|
[6fd4e36] | 1234 | self.createNewIndex(fitted_data) |
---|
| 1235 | # Calculate difference between return_data and logic.data |
---|
[2add354] | 1236 | self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
---|
[6fd4e36] | 1237 | # Update the control |
---|
[2add354] | 1238 | chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True) |
---|
[f182f93] | 1239 | self.lblChi2Value.setText(chi2_repr) |
---|
[cbcdd2c] | 1240 | |
---|
[d48cc19] | 1241 | self.communicate.plotUpdateSignal.emit([fitted_data]) |
---|
| 1242 | |
---|
[0268aed] | 1243 | # Plot residuals if actual data |
---|
[aca8418] | 1244 | if not self.data_is_loaded: |
---|
| 1245 | return |
---|
| 1246 | |
---|
| 1247 | residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) |
---|
| 1248 | residuals_plot.id = "Residual " + residuals_plot.id |
---|
| 1249 | self.createNewIndex(residuals_plot) |
---|
| 1250 | self.communicate.plotUpdateSignal.emit([residuals_plot]) |
---|
[5236449] | 1251 | |
---|
| 1252 | def calcException(self, etype, value, tb): |
---|
| 1253 | """ |
---|
[c1e380e] | 1254 | Thread threw an exception. |
---|
[5236449] | 1255 | """ |
---|
[c1e380e] | 1256 | # TODO: remimplement thread cancellation |
---|
[5236449] | 1257 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
---|
[60af928] | 1258 | |
---|
| 1259 | def setTableProperties(self, table): |
---|
| 1260 | """ |
---|
| 1261 | Setting table properties |
---|
| 1262 | """ |
---|
| 1263 | # Table properties |
---|
| 1264 | table.verticalHeader().setVisible(False) |
---|
| 1265 | table.setAlternatingRowColors(True) |
---|
| 1266 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 1267 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
---|
[f46f6dc] | 1268 | table.resizeColumnsToContents() |
---|
| 1269 | |
---|
[60af928] | 1270 | # Header |
---|
| 1271 | header = table.horizontalHeader() |
---|
[f46f6dc] | 1272 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
---|
| 1273 | |
---|
| 1274 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
---|
[b1e36a3] | 1275 | # Resize column 0 and 6 to content |
---|
[f46f6dc] | 1276 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
---|
| 1277 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
---|
[60af928] | 1278 | |
---|
| 1279 | def setPolyModel(self): |
---|
| 1280 | """ |
---|
| 1281 | Set polydispersity values |
---|
| 1282 | """ |
---|
[86f88d1] | 1283 | if not self.model_parameters: |
---|
| 1284 | return |
---|
| 1285 | self._poly_model.clear() |
---|
| 1286 | |
---|
[aca8418] | 1287 | [self.setPolyModelParameters(row, param) for row, param in \ |
---|
| 1288 | enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse] |
---|
[4d457df] | 1289 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
[60af928] | 1290 | |
---|
[aca8418] | 1291 | def setPolyModelParameters(self, row, param): |
---|
| 1292 | """ |
---|
[1643d8ed] | 1293 | Creates a checked row for a polydisperse parameter |
---|
[aca8418] | 1294 | """ |
---|
[06b0138] | 1295 | # Not suitable for multishell |
---|
| 1296 | if '[' in param.name: |
---|
| 1297 | return |
---|
[144ec831] | 1298 | # Polydisp. values from the sasmodel |
---|
| 1299 | width = self.kernel_module.getParam(param.name + '.width') |
---|
| 1300 | npts = self.kernel_module.getParam(param.name + '.npts') |
---|
| 1301 | nsigs = self.kernel_module.getParam(param.name + '.nsigmas') |
---|
| 1302 | |
---|
| 1303 | # Construct a row with polydisp. related variable. |
---|
| 1304 | # This will get added to the polydisp. model |
---|
| 1305 | # Note: last argument needs extra space padding for decent display of the control |
---|
| 1306 | checked_list = ["Distribution of " + param.name, str(width), |
---|
[aca8418] | 1307 | str(param.limits[0]), str(param.limits[1]), |
---|
| 1308 | str(npts), str(nsigs), "gaussian "] |
---|
| 1309 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
| 1310 | |
---|
| 1311 | # All possible polydisp. functions as strings in combobox |
---|
| 1312 | func = QtGui.QComboBox() |
---|
| 1313 | func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.iterkeys()]) |
---|
[144ec831] | 1314 | # set the default index |
---|
[aca8418] | 1315 | func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION)) |
---|
| 1316 | |
---|
| 1317 | def onPolyComboIndexChange(self, combo_string, row_index): |
---|
| 1318 | """ |
---|
| 1319 | Modify polydisp. defaults on function choice |
---|
| 1320 | """ |
---|
[144ec831] | 1321 | # Get npts/nsigs for current selection |
---|
[aca8418] | 1322 | param = self.model_parameters.form_volume_parameters[row_index] |
---|
| 1323 | |
---|
[919d47c] | 1324 | def updateFunctionCaption(row): |
---|
| 1325 | # Utility function for update of polydispersity function name in the main model |
---|
[1643d8ed] | 1326 | param_name = str(self._model_model.item(row, 0).text()) |
---|
[919d47c] | 1327 | if param_name != param.name: |
---|
| 1328 | return |
---|
[144ec831] | 1329 | # Modify the param value |
---|
[919d47c] | 1330 | self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string) |
---|
| 1331 | |
---|
[aca8418] | 1332 | if combo_string == 'array': |
---|
| 1333 | try: |
---|
| 1334 | self.loadPolydispArray() |
---|
[919d47c] | 1335 | # Update main model for display |
---|
| 1336 | self.iterateOverModel(updateFunctionCaption) |
---|
[06b0138] | 1337 | except (ValueError, IOError): |
---|
[aca8418] | 1338 | # Don't do anything if file lookup failed |
---|
| 1339 | return |
---|
| 1340 | # disable the row |
---|
| 1341 | [self._poly_model.item(row_index, i).setEnabled(False) for i in xrange(6)] |
---|
| 1342 | return |
---|
| 1343 | |
---|
| 1344 | # Enable the row in case it was disabled by Array |
---|
[919d47c] | 1345 | self._poly_model.blockSignals(True) |
---|
| 1346 | [self._poly_model.item(row_index, i).setEnabled(True) for i in xrange(6)] |
---|
| 1347 | self._poly_model.blockSignals(False) |
---|
[aca8418] | 1348 | |
---|
[8eaa101] | 1349 | npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts) |
---|
| 1350 | nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs) |
---|
[aca8418] | 1351 | |
---|
| 1352 | npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts'] |
---|
| 1353 | nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas'] |
---|
| 1354 | |
---|
| 1355 | self._poly_model.setData(npts_index, QtCore.QVariant(npts)) |
---|
| 1356 | self._poly_model.setData(nsigs_index, QtCore.QVariant(nsigs)) |
---|
| 1357 | |
---|
[919d47c] | 1358 | self.iterateOverModel(updateFunctionCaption) |
---|
| 1359 | |
---|
[aca8418] | 1360 | def loadPolydispArray(self): |
---|
| 1361 | """ |
---|
| 1362 | Show the load file dialog and loads requested data into state |
---|
| 1363 | """ |
---|
| 1364 | datafile = QtGui.QFileDialog.getOpenFileName( |
---|
[72f4834] | 1365 | self, "Choose a weight file", "", "All files (*.*)", |
---|
| 1366 | None, QtGui.QFileDialog.DontUseNativeDialog) |
---|
| 1367 | |
---|
| 1368 | if datafile is None: |
---|
[aca8418] | 1369 | logging.info("No weight data chosen.") |
---|
[1643d8ed] | 1370 | raise IOError |
---|
[72f4834] | 1371 | |
---|
[aca8418] | 1372 | values = [] |
---|
| 1373 | weights = [] |
---|
[919d47c] | 1374 | def appendData(data_tuple): |
---|
| 1375 | """ |
---|
| 1376 | Fish out floats from a tuple of strings |
---|
| 1377 | """ |
---|
| 1378 | try: |
---|
| 1379 | values.append(float(data_tuple[0])) |
---|
| 1380 | weights.append(float(data_tuple[1])) |
---|
| 1381 | except (ValueError, IndexError): |
---|
| 1382 | # just pass through if line with bad data |
---|
| 1383 | return |
---|
| 1384 | |
---|
[aca8418] | 1385 | with open(datafile, 'r') as column_file: |
---|
| 1386 | column_data = [line.rstrip().split() for line in column_file.readlines()] |
---|
[919d47c] | 1387 | [appendData(line) for line in column_data] |
---|
[aca8418] | 1388 | |
---|
[1643d8ed] | 1389 | # If everything went well - update the sasmodel values |
---|
[aca8418] | 1390 | self.disp_model = POLYDISPERSITY_MODELS['array']() |
---|
| 1391 | self.disp_model.set_weights(np.array(values), np.array(weights)) |
---|
| 1392 | |
---|
[60af928] | 1393 | def setMagneticModel(self): |
---|
| 1394 | """ |
---|
| 1395 | Set magnetism values on model |
---|
| 1396 | """ |
---|
[86f88d1] | 1397 | if not self.model_parameters: |
---|
| 1398 | return |
---|
| 1399 | self._magnet_model.clear() |
---|
[aca8418] | 1400 | [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \ |
---|
[06b0138] | 1401 | self.model_parameters.call_parameters if param.type == 'magnetic'] |
---|
[4d457df] | 1402 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
[60af928] | 1403 | |
---|
[aca8418] | 1404 | def addCheckedMagneticListToModel(self, param, model): |
---|
| 1405 | """ |
---|
| 1406 | Wrapper for model update with a subset of magnetic parameters |
---|
| 1407 | """ |
---|
| 1408 | checked_list = [param.name, |
---|
| 1409 | str(param.default), |
---|
| 1410 | str(param.limits[0]), |
---|
| 1411 | str(param.limits[1]), |
---|
| 1412 | param.units] |
---|
| 1413 | |
---|
| 1414 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
| 1415 | |
---|
[fd1ae6d1] | 1416 | def enableStructureFactorControl(self, structure_factor): |
---|
[cd31251] | 1417 | """ |
---|
| 1418 | Add structure factors to the list of parameters |
---|
| 1419 | """ |
---|
[fd1ae6d1] | 1420 | if self.kernel_module.is_form_factor or structure_factor == 'None': |
---|
[cd31251] | 1421 | self.enableStructureCombo() |
---|
| 1422 | else: |
---|
| 1423 | self.disableStructureCombo() |
---|
| 1424 | |
---|
[60af928] | 1425 | def addExtraShells(self): |
---|
| 1426 | """ |
---|
[f46f6dc] | 1427 | Add a combobox for multiple shell display |
---|
[60af928] | 1428 | """ |
---|
[4d457df] | 1429 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
[f46f6dc] | 1430 | |
---|
| 1431 | if param_length == 0: |
---|
| 1432 | return |
---|
| 1433 | |
---|
[6f7f652] | 1434 | # cell 1: variable name |
---|
[f46f6dc] | 1435 | item1 = QtGui.QStandardItem(param_name) |
---|
| 1436 | |
---|
[60af928] | 1437 | func = QtGui.QComboBox() |
---|
[b1e36a3] | 1438 | # Available range of shells displayed in the combobox |
---|
| 1439 | func.addItems([str(i) for i in xrange(param_length+1)]) |
---|
[a9b568c] | 1440 | |
---|
[b1e36a3] | 1441 | # Respond to index change |
---|
[86f88d1] | 1442 | func.currentIndexChanged.connect(self.modifyShellsInList) |
---|
[60af928] | 1443 | |
---|
[6f7f652] | 1444 | # cell 2: combobox |
---|
[f46f6dc] | 1445 | item2 = QtGui.QStandardItem() |
---|
| 1446 | self._model_model.appendRow([item1, item2]) |
---|
[60af928] | 1447 | |
---|
[6f7f652] | 1448 | # Beautify the row: span columns 2-4 |
---|
[60af928] | 1449 | shell_row = self._model_model.rowCount() |
---|
[f46f6dc] | 1450 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
[86f88d1] | 1451 | |
---|
[4d457df] | 1452 | self.lstParams.setIndexWidget(shell_index, func) |
---|
[86f88d1] | 1453 | self._last_model_row = self._model_model.rowCount() |
---|
| 1454 | |
---|
[a9b568c] | 1455 | # Set the index to the state-kept value |
---|
| 1456 | func.setCurrentIndex(self.current_shell_displayed |
---|
| 1457 | if self.current_shell_displayed < func.count() else 0) |
---|
| 1458 | |
---|
[86f88d1] | 1459 | def modifyShellsInList(self, index): |
---|
| 1460 | """ |
---|
| 1461 | Add/remove additional multishell parameters |
---|
| 1462 | """ |
---|
| 1463 | # Find row location of the combobox |
---|
| 1464 | last_row = self._last_model_row |
---|
| 1465 | remove_rows = self._model_model.rowCount() - last_row |
---|
| 1466 | |
---|
| 1467 | if remove_rows > 1: |
---|
| 1468 | self._model_model.removeRows(last_row, remove_rows) |
---|
| 1469 | |
---|
[4d457df] | 1470 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
---|
[a9b568c] | 1471 | self.current_shell_displayed = index |
---|
[60af928] | 1472 | |
---|
[672b8ab] | 1473 | def readFitPage(self, fp): |
---|
| 1474 | """ |
---|
| 1475 | Read in state from a fitpage object and update GUI |
---|
| 1476 | """ |
---|
| 1477 | assert isinstance(fp, FitPage) |
---|
| 1478 | # Main tab info |
---|
| 1479 | self.logic.data.filename = fp.filename |
---|
| 1480 | self.data_is_loaded = fp.data_is_loaded |
---|
| 1481 | self.chkPolydispersity.setCheckState(fp.is_polydisperse) |
---|
| 1482 | self.chkMagnetism.setCheckState(fp.is_magnetic) |
---|
| 1483 | self.chk2DView.setCheckState(fp.is2D) |
---|
| 1484 | |
---|
| 1485 | # Update the comboboxes |
---|
| 1486 | self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category)) |
---|
| 1487 | self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model)) |
---|
| 1488 | if fp.current_factor: |
---|
| 1489 | self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor)) |
---|
| 1490 | |
---|
| 1491 | self.chi2 = fp.chi2 |
---|
| 1492 | |
---|
| 1493 | # Options tab |
---|
| 1494 | self.q_range_min = fp.fit_options[fp.MIN_RANGE] |
---|
| 1495 | self.q_range_max = fp.fit_options[fp.MAX_RANGE] |
---|
| 1496 | self.npts = fp.fit_options[fp.NPTS] |
---|
| 1497 | self.log_points = fp.fit_options[fp.LOG_POINTS] |
---|
| 1498 | self.weighting = fp.fit_options[fp.WEIGHTING] |
---|
| 1499 | |
---|
| 1500 | # Models |
---|
[d60da0c] | 1501 | self._model_model = fp.model_model |
---|
| 1502 | self._poly_model = fp.poly_model |
---|
| 1503 | self._magnet_model = fp.magnetism_model |
---|
[672b8ab] | 1504 | |
---|
| 1505 | # Resolution tab |
---|
| 1506 | smearing = fp.smearing_options[fp.SMEARING_OPTION] |
---|
| 1507 | accuracy = fp.smearing_options[fp.SMEARING_ACCURACY] |
---|
| 1508 | smearing_min = fp.smearing_options[fp.SMEARING_MIN] |
---|
| 1509 | smearing_max = fp.smearing_options[fp.SMEARING_MAX] |
---|
| 1510 | self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max) |
---|
| 1511 | |
---|
| 1512 | # TODO: add polidyspersity and magnetism |
---|
| 1513 | |
---|
| 1514 | def saveToFitPage(self, fp): |
---|
| 1515 | """ |
---|
| 1516 | Write current state to the given fitpage |
---|
| 1517 | """ |
---|
| 1518 | assert isinstance(fp, FitPage) |
---|
| 1519 | |
---|
| 1520 | # Main tab info |
---|
| 1521 | fp.filename = self.logic.data.filename |
---|
| 1522 | fp.data_is_loaded = self.data_is_loaded |
---|
| 1523 | fp.is_polydisperse = self.chkPolydispersity.isChecked() |
---|
| 1524 | fp.is_magnetic = self.chkMagnetism.isChecked() |
---|
| 1525 | fp.is2D = self.chk2DView.isChecked() |
---|
| 1526 | fp.data = self.data |
---|
| 1527 | |
---|
| 1528 | # Use current models - they contain all the required parameters |
---|
| 1529 | fp.model_model = self._model_model |
---|
| 1530 | fp.poly_model = self._poly_model |
---|
| 1531 | fp.magnetism_model = self._magnet_model |
---|
| 1532 | |
---|
| 1533 | if self.cbCategory.currentIndex() != 0: |
---|
| 1534 | fp.current_category = str(self.cbCategory.currentText()) |
---|
| 1535 | fp.current_model = str(self.cbModel.currentText()) |
---|
| 1536 | |
---|
| 1537 | if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0: |
---|
| 1538 | fp.current_factor = str(self.cbStructureFactor.currentText()) |
---|
| 1539 | else: |
---|
| 1540 | fp.current_factor = '' |
---|
| 1541 | |
---|
| 1542 | fp.chi2 = self.chi2 |
---|
| 1543 | fp.parameters_to_fit = self.parameters_to_fit |
---|
[6964d44] | 1544 | fp.kernel_module = self.kernel_module |
---|
[672b8ab] | 1545 | |
---|
| 1546 | # Options tab |
---|
| 1547 | fp.fit_options[fp.MIN_RANGE] = self.q_range_min |
---|
| 1548 | fp.fit_options[fp.MAX_RANGE] = self.q_range_max |
---|
| 1549 | fp.fit_options[fp.NPTS] = self.npts |
---|
| 1550 | #fp.fit_options[fp.NPTS_FIT] = self.npts_fit |
---|
| 1551 | fp.fit_options[fp.LOG_POINTS] = self.log_points |
---|
| 1552 | fp.fit_options[fp.WEIGHTING] = self.weighting |
---|
| 1553 | |
---|
| 1554 | # Resolution tab |
---|
| 1555 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
| 1556 | fp.smearing_options[fp.SMEARING_OPTION] = smearing |
---|
| 1557 | fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy |
---|
| 1558 | fp.smearing_options[fp.SMEARING_MIN] = smearing_min |
---|
| 1559 | fp.smearing_options[fp.SMEARING_MAX] = smearing_max |
---|
| 1560 | |
---|
| 1561 | # TODO: add polidyspersity and magnetism |
---|
| 1562 | |
---|
[00b3b40] | 1563 | |
---|
| 1564 | def updateUndo(self): |
---|
| 1565 | """ |
---|
| 1566 | Create a new state page and add it to the stack |
---|
| 1567 | """ |
---|
| 1568 | if self.undo_supported: |
---|
| 1569 | self.pushFitPage(self.currentState()) |
---|
| 1570 | |
---|
[672b8ab] | 1571 | def currentState(self): |
---|
| 1572 | """ |
---|
| 1573 | Return fit page with current state |
---|
| 1574 | """ |
---|
| 1575 | new_page = FitPage() |
---|
| 1576 | self.saveToFitPage(new_page) |
---|
| 1577 | |
---|
| 1578 | return new_page |
---|
| 1579 | |
---|
| 1580 | def pushFitPage(self, new_page): |
---|
| 1581 | """ |
---|
| 1582 | Add a new fit page object with current state |
---|
| 1583 | """ |
---|
[6011788] | 1584 | self.page_stack.append(new_page) |
---|
[672b8ab] | 1585 | |
---|
| 1586 | def popFitPage(self): |
---|
| 1587 | """ |
---|
| 1588 | Remove top fit page from stack |
---|
| 1589 | """ |
---|
[6011788] | 1590 | if self.page_stack: |
---|
| 1591 | self.page_stack.pop() |
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[672b8ab] | 1592 | |
---|