[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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[6ff2eb3] | 199 | # Magnetic angles explained in one picture |
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| 200 | self.magneticAnglesWidget = QtGui.QWidget() |
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| 201 | labl = QtGui.QLabel(self.magneticAnglesWidget) |
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| 202 | pixmap = QtGui.QPixmap(GuiUtils.IMAGES_DIRECTORY_LOCATION + '/M_angles_pic.bmp') |
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| 203 | labl.setPixmap(pixmap) |
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| 204 | self.magneticAnglesWidget.setFixedSize(pixmap.width(), pixmap.height()) |
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| 205 | |
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[2a432e7] | 206 | def initializeModels(self): |
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| 207 | """ |
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| 208 | Set up models and views |
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| 209 | """ |
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[86f88d1] | 210 | # Set the main models |
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[cd31251] | 211 | # We can't use a single model here, due to restrictions on flattening |
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| 212 | # the model tree with subclassed QAbstractProxyModel... |
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[60af928] | 213 | self._model_model = QtGui.QStandardItemModel() |
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| 214 | self._poly_model = QtGui.QStandardItemModel() |
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| 215 | self._magnet_model = QtGui.QStandardItemModel() |
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| 216 | |
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| 217 | # Param model displayed in param list |
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| 218 | self.lstParams.setModel(self._model_model) |
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[5236449] | 219 | self.readCategoryInfo() |
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[60af928] | 220 | self.model_parameters = None |
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[ad6b4e2] | 221 | |
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| 222 | # Delegates for custom editing and display |
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| 223 | self.lstParams.setItemDelegate(ModelViewDelegate(self)) |
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| 224 | |
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[86f88d1] | 225 | self.lstParams.setAlternatingRowColors(True) |
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[61a92d4] | 226 | stylesheet = """ |
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[2a432e7] | 227 | QTreeView::item:hover { |
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| 228 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #e7effd, stop: 1 #cbdaf1); |
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| 229 | border: 1px solid #bfcde4; |
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[61a92d4] | 230 | } |
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[2a432e7] | 231 | |
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| 232 | QTreeView::item:selected { |
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| 233 | border: 1px solid #567dbc; |
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| 234 | } |
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| 235 | |
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| 236 | QTreeView::item:selected:active{ |
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| 237 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6ea1f1, stop: 1 #567dbc); |
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| 238 | } |
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| 239 | |
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| 240 | QTreeView::item:selected:!active { |
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| 241 | background: qlineargradient(x1: 0, y1: 0, x2: 0, y2: 1, stop: 0 #6b9be8, stop: 1 #577fbf); |
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| 242 | } |
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| 243 | """ |
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[61a92d4] | 244 | self.lstParams.setStyleSheet(stylesheet) |
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[672b8ab] | 245 | self.lstParams.setContextMenuPolicy(QtCore.Qt.CustomContextMenu) |
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[2add354] | 246 | self.lstParams.customContextMenuRequested.connect(self.showModelDescription) |
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[60af928] | 247 | |
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| 248 | # Poly model displayed in poly list |
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[811bec1] | 249 | self.lstPoly.setModel(self._poly_model) |
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[60af928] | 250 | self.setPolyModel() |
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| 251 | self.setTableProperties(self.lstPoly) |
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[6011788] | 252 | # Delegates for custom editing and display |
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[aca8418] | 253 | self.lstPoly.setItemDelegate(PolyViewDelegate(self)) |
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| 254 | # Polydispersity function combo response |
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| 255 | self.lstPoly.itemDelegate().combo_updated.connect(self.onPolyComboIndexChange) |
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[60af928] | 256 | |
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| 257 | # Magnetism model displayed in magnetism list |
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| 258 | self.lstMagnetic.setModel(self._magnet_model) |
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| 259 | self.setMagneticModel() |
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| 260 | self.setTableProperties(self.lstMagnetic) |
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| 261 | |
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[2a432e7] | 262 | def initializeCategoryCombo(self): |
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| 263 | """ |
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| 264 | Model category combo setup |
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| 265 | """ |
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[60af928] | 266 | category_list = sorted(self.master_category_dict.keys()) |
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[86f88d1] | 267 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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[60af928] | 268 | self.cbCategory.addItems(category_list) |
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[4d457df] | 269 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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[6f7f652] | 270 | self.cbCategory.setCurrentIndex(0) |
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[60af928] | 271 | |
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[e1e3e09] | 272 | def setEnablementOnDataLoad(self): |
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| 273 | """ |
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| 274 | Enable/disable various UI elements based on data loaded |
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| 275 | """ |
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[cbcdd2c] | 276 | # Tag along functionality |
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[b1e36a3] | 277 | self.label.setText("Data loaded from: ") |
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[a0f5c36] | 278 | self.lblFilename.setText(self.logic.data.filename) |
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[5236449] | 279 | self.updateQRange() |
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[e1e3e09] | 280 | # Switch off Data2D control |
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| 281 | self.chk2DView.setEnabled(False) |
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| 282 | self.chk2DView.setVisible(False) |
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[6ff2eb3] | 283 | self.chkMagnetism.setEnabled(self.is2D) |
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[180bd54] | 284 | # Similarly on other tabs |
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| 285 | self.options_widget.setEnablementOnDataLoad() |
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[e1e3e09] | 286 | |
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| 287 | # Smearing tab |
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| 288 | self.smearing_widget.updateSmearing(self.data) |
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[60af928] | 289 | |
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[f46f6dc] | 290 | def acceptsData(self): |
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| 291 | """ Tells the caller this widget can accept new dataset """ |
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[5236449] | 292 | return not self.data_is_loaded |
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[f46f6dc] | 293 | |
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[6f7f652] | 294 | def disableModelCombo(self): |
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[cbcdd2c] | 295 | """ Disable the combobox """ |
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[6f7f652] | 296 | self.cbModel.setEnabled(False) |
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[b1e36a3] | 297 | self.lblModel.setEnabled(False) |
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[6f7f652] | 298 | |
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| 299 | def enableModelCombo(self): |
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[cbcdd2c] | 300 | """ Enable the combobox """ |
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[6f7f652] | 301 | self.cbModel.setEnabled(True) |
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[b1e36a3] | 302 | self.lblModel.setEnabled(True) |
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[6f7f652] | 303 | |
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| 304 | def disableStructureCombo(self): |
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[cbcdd2c] | 305 | """ Disable the combobox """ |
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[6f7f652] | 306 | self.cbStructureFactor.setEnabled(False) |
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[b1e36a3] | 307 | self.lblStructure.setEnabled(False) |
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[6f7f652] | 308 | |
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| 309 | def enableStructureCombo(self): |
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[cbcdd2c] | 310 | """ Enable the combobox """ |
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[6f7f652] | 311 | self.cbStructureFactor.setEnabled(True) |
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[b1e36a3] | 312 | self.lblStructure.setEnabled(True) |
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[6f7f652] | 313 | |
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[0268aed] | 314 | def togglePoly(self, isChecked): |
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[454670d] | 315 | """ Enable/disable the polydispersity tab """ |
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[0268aed] | 316 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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| 317 | |
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| 318 | def toggleMagnetism(self, isChecked): |
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[454670d] | 319 | """ Enable/disable the magnetism tab """ |
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[0268aed] | 320 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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| 321 | |
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| 322 | def toggle2D(self, isChecked): |
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[454670d] | 323 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
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[0268aed] | 324 | self.chkMagnetism.setEnabled(isChecked) |
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| 325 | self.is2D = isChecked |
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[1970780] | 326 | # Reload the current model |
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[e1e3e09] | 327 | if self.kernel_module: |
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| 328 | self.onSelectModel() |
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[5236449] | 329 | |
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[86f88d1] | 330 | def initializeControls(self): |
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| 331 | """ |
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| 332 | Set initial control enablement |
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| 333 | """ |
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| 334 | self.cmdFit.setEnabled(False) |
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[d48cc19] | 335 | self.cmdPlot.setEnabled(False) |
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[180bd54] | 336 | self.options_widget.cmdComputePoints.setVisible(False) # probably redundant |
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[86f88d1] | 337 | self.chkPolydispersity.setEnabled(True) |
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| 338 | self.chkPolydispersity.setCheckState(False) |
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| 339 | self.chk2DView.setEnabled(True) |
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| 340 | self.chk2DView.setCheckState(False) |
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| 341 | self.chkMagnetism.setEnabled(False) |
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| 342 | self.chkMagnetism.setCheckState(False) |
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[cbcdd2c] | 343 | # Tabs |
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[86f88d1] | 344 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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| 345 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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| 346 | self.lblChi2Value.setText("---") |
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[e1e3e09] | 347 | # Smearing tab |
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| 348 | self.smearing_widget.updateSmearing(self.data) |
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[180bd54] | 349 | # Line edits in the option tab |
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| 350 | self.updateQRange() |
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[86f88d1] | 351 | |
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| 352 | def initializeSignals(self): |
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| 353 | """ |
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| 354 | Connect GUI element signals |
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| 355 | """ |
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[cbcdd2c] | 356 | # Comboboxes |
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[cd31251] | 357 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
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| 358 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
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| 359 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
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[cbcdd2c] | 360 | # Checkboxes |
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[86f88d1] | 361 | self.chk2DView.toggled.connect(self.toggle2D) |
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| 362 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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| 363 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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[cbcdd2c] | 364 | # Buttons |
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[5236449] | 365 | self.cmdFit.clicked.connect(self.onFit) |
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[cbcdd2c] | 366 | self.cmdPlot.clicked.connect(self.onPlot) |
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[2add354] | 367 | self.cmdHelp.clicked.connect(self.onHelp) |
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[6ff2eb3] | 368 | self.cmdMagneticDisplay.clicked.connect(self.onDisplayMagneticAngles) |
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[cbcdd2c] | 369 | |
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| 370 | # Respond to change in parameters from the UI |
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| 371 | self._model_model.itemChanged.connect(self.updateParamsFromModel) |
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[cd31251] | 372 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
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[aca8418] | 373 | |
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[cd31251] | 374 | # TODO after the poly_model prototype accepted |
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| 375 | #self._magnet_model.itemChanged.connect(self.onMagneticModelChange) |
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[86f88d1] | 376 | |
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[180bd54] | 377 | # Signals from separate tabs asking for replot |
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| 378 | self.options_widget.plot_signal.connect(self.onOptionsUpdate) |
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| 379 | |
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[2add354] | 380 | def showModelDescription(self, position): |
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| 381 | """ |
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| 382 | Shows a window with model description, when right clicked in the treeview |
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| 383 | """ |
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| 384 | msg = 'Model description:\n' |
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| 385 | if self.kernel_module is not None: |
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| 386 | if str(self.kernel_module.description).rstrip().lstrip() == '': |
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| 387 | msg += "Sorry, no information is available for this model." |
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| 388 | else: |
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| 389 | msg += self.kernel_module.description + '\n' |
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| 390 | else: |
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| 391 | msg += "You must select a model to get information on this" |
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| 392 | |
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| 393 | menu = QtGui.QMenu() |
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[672b8ab] | 394 | label = QtGui.QLabel(msg) |
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| 395 | action = QtGui.QWidgetAction(self) |
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| 396 | action.setDefaultWidget(label) |
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| 397 | menu.addAction(action) |
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| 398 | menu.exec_(self.lstParams.viewport().mapToGlobal(position)) |
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[2add354] | 399 | |
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[0268aed] | 400 | def onSelectModel(self): |
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[cbcdd2c] | 401 | """ |
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[0268aed] | 402 | Respond to select Model from list event |
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[cbcdd2c] | 403 | """ |
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[0268aed] | 404 | model = str(self.cbModel.currentText()) |
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| 405 | |
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| 406 | # Reset structure factor |
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| 407 | self.cbStructureFactor.setCurrentIndex(0) |
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| 408 | |
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[f182f93] | 409 | # Reset parameters to fit |
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| 410 | self.parameters_to_fit = None |
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[d7ff531] | 411 | self.has_error_column = False |
---|
[aca8418] | 412 | self.has_poly_error_column = False |
---|
[f182f93] | 413 | |
---|
[fd1ae6d1] | 414 | self.respondToModelStructure(model=model, structure_factor=None) |
---|
| 415 | |
---|
| 416 | def onSelectStructureFactor(self): |
---|
| 417 | """ |
---|
| 418 | Select Structure Factor from list |
---|
| 419 | """ |
---|
| 420 | model = str(self.cbModel.currentText()) |
---|
| 421 | category = str(self.cbCategory.currentText()) |
---|
| 422 | structure = str(self.cbStructureFactor.currentText()) |
---|
| 423 | if category == CATEGORY_STRUCTURE: |
---|
| 424 | model = None |
---|
| 425 | self.respondToModelStructure(model=model, structure_factor=structure) |
---|
| 426 | |
---|
| 427 | def respondToModelStructure(self, model=None, structure_factor=None): |
---|
[d48cc19] | 428 | # Set enablement on calculate/plot |
---|
| 429 | self.cmdPlot.setEnabled(True) |
---|
| 430 | |
---|
[fd1ae6d1] | 431 | # kernel parameters -> model_model |
---|
| 432 | self.SASModelToQModel(model, structure_factor) |
---|
[0268aed] | 433 | |
---|
| 434 | if self.data_is_loaded: |
---|
[d48cc19] | 435 | self.cmdPlot.setText("Show Plot") |
---|
[0268aed] | 436 | self.calculateQGridForModel() |
---|
| 437 | else: |
---|
[d48cc19] | 438 | self.cmdPlot.setText("Calculate") |
---|
[0268aed] | 439 | # Create default datasets if no data passed |
---|
| 440 | self.createDefaultDataset() |
---|
| 441 | |
---|
[6011788] | 442 | # Update state stack |
---|
[00b3b40] | 443 | self.updateUndo() |
---|
[2add354] | 444 | |
---|
[cd31251] | 445 | def onSelectCategory(self): |
---|
[60af928] | 446 | """ |
---|
| 447 | Select Category from list |
---|
| 448 | """ |
---|
[4d457df] | 449 | category = str(self.cbCategory.currentText()) |
---|
[86f88d1] | 450 | # Check if the user chose "Choose category entry" |
---|
[4d457df] | 451 | if category == CATEGORY_DEFAULT: |
---|
[86f88d1] | 452 | # if the previous category was not the default, keep it. |
---|
| 453 | # Otherwise, just return |
---|
| 454 | if self._previous_category_index != 0: |
---|
[351b53e] | 455 | # We need to block signals, or else state changes on perceived unchanged conditions |
---|
| 456 | self.cbCategory.blockSignals(True) |
---|
[86f88d1] | 457 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
---|
[351b53e] | 458 | self.cbCategory.blockSignals(False) |
---|
[86f88d1] | 459 | return |
---|
| 460 | |
---|
[4d457df] | 461 | if category == CATEGORY_STRUCTURE: |
---|
[6f7f652] | 462 | self.disableModelCombo() |
---|
| 463 | self.enableStructureCombo() |
---|
[29eb947] | 464 | self._model_model.clear() |
---|
[6f7f652] | 465 | return |
---|
| 466 | |
---|
[cbcdd2c] | 467 | # Safely clear and enable the model combo |
---|
[6f7f652] | 468 | self.cbModel.blockSignals(True) |
---|
| 469 | self.cbModel.clear() |
---|
| 470 | self.cbModel.blockSignals(False) |
---|
| 471 | self.enableModelCombo() |
---|
| 472 | self.disableStructureCombo() |
---|
| 473 | |
---|
[86f88d1] | 474 | self._previous_category_index = self.cbCategory.currentIndex() |
---|
[cbcdd2c] | 475 | # Retrieve the list of models |
---|
[4d457df] | 476 | model_list = self.master_category_dict[category] |
---|
[cbcdd2c] | 477 | # Populate the models combobox |
---|
[b1e36a3] | 478 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
[4d457df] | 479 | |
---|
[0268aed] | 480 | def onPolyModelChange(self, item): |
---|
| 481 | """ |
---|
| 482 | Callback method for updating the main model and sasmodel |
---|
| 483 | parameters with the GUI values in the polydispersity view |
---|
| 484 | """ |
---|
| 485 | model_column = item.column() |
---|
| 486 | model_row = item.row() |
---|
| 487 | name_index = self._poly_model.index(model_row, 0) |
---|
[c1e380e] | 488 | parameter_name = str(name_index.data().toString()).lower() # "distribution of sld" etc. |
---|
| 489 | if "distribution of" in parameter_name: |
---|
[358b39d] | 490 | # just the last word |
---|
| 491 | parameter_name = parameter_name.rsplit()[-1] |
---|
[c1e380e] | 492 | |
---|
[06b0138] | 493 | # Extract changed value. |
---|
[8eaa101] | 494 | if model_column == self.lstPoly.itemDelegate().poly_parameter: |
---|
[00b3b40] | 495 | # Is the parameter checked for fitting? |
---|
[0268aed] | 496 | value = item.checkState() |
---|
[1643d8ed] | 497 | parameter_name = parameter_name + '.width' |
---|
[c1e380e] | 498 | if value == QtCore.Qt.Checked: |
---|
| 499 | self.parameters_to_fit.append(parameter_name) |
---|
| 500 | else: |
---|
| 501 | if parameter_name in self.parameters_to_fit: |
---|
| 502 | self.parameters_to_fit.remove(parameter_name) |
---|
| 503 | return |
---|
[8eaa101] | 504 | elif model_column in [self.lstPoly.itemDelegate().poly_min, self.lstPoly.itemDelegate().poly_max]: |
---|
[aca8418] | 505 | try: |
---|
| 506 | value = float(item.text()) |
---|
| 507 | except ValueError: |
---|
| 508 | # Can't be converted properly, bring back the old value and exit |
---|
| 509 | return |
---|
| 510 | |
---|
| 511 | current_details = self.kernel_module.details[parameter_name] |
---|
| 512 | current_details[model_column-1] = value |
---|
[8eaa101] | 513 | elif model_column == self.lstPoly.itemDelegate().poly_function: |
---|
[919d47c] | 514 | # name of the function - just pass |
---|
| 515 | return |
---|
[0268aed] | 516 | else: |
---|
| 517 | try: |
---|
| 518 | value = float(item.text()) |
---|
| 519 | except ValueError: |
---|
| 520 | # Can't be converted properly, bring back the old value and exit |
---|
| 521 | return |
---|
| 522 | |
---|
[aca8418] | 523 | # Update the sasmodel |
---|
| 524 | # PD[ratio] -> width, npts -> npts, nsigs -> nsigmas |
---|
[919d47c] | 525 | self.kernel_module.setParam(parameter_name + '.' + \ |
---|
[8eaa101] | 526 | self.lstPoly.itemDelegate().columnDict()[model_column], value) |
---|
[0268aed] | 527 | |
---|
[2add354] | 528 | def onHelp(self): |
---|
| 529 | """ |
---|
| 530 | Show the "Fitting" section of help |
---|
| 531 | """ |
---|
[b0c5e8c] | 532 | tree_location = GuiUtils.HELP_DIRECTORY_LOCATION + "/user/sasgui/perspectives/fitting/" |
---|
[70080a0] | 533 | |
---|
| 534 | # Actual file will depend on the current tab |
---|
| 535 | tab_id = self.tabFitting.currentIndex() |
---|
| 536 | helpfile = "fitting.html" |
---|
| 537 | if tab_id == 0: |
---|
| 538 | helpfile = "fitting_help.html" |
---|
| 539 | elif tab_id == 1: |
---|
| 540 | helpfile = "residuals_help.html" |
---|
| 541 | elif tab_id == 2: |
---|
| 542 | helpfile = "sm_help.html" |
---|
| 543 | elif tab_id == 3: |
---|
| 544 | helpfile = "pd_help.html" |
---|
| 545 | elif tab_id == 4: |
---|
| 546 | helpfile = "mag_help.html" |
---|
| 547 | help_location = tree_location + helpfile |
---|
| 548 | self.helpView.load(QtCore.QUrl(help_location)) |
---|
[2add354] | 549 | self.helpView.show() |
---|
| 550 | |
---|
[6ff2eb3] | 551 | def onDisplayMagneticAngles(self): |
---|
| 552 | """ |
---|
| 553 | Display a simple image showing direction of magnetic angles |
---|
| 554 | """ |
---|
| 555 | self.magneticAnglesWidget.show() |
---|
| 556 | |
---|
[0268aed] | 557 | def onFit(self): |
---|
| 558 | """ |
---|
| 559 | Perform fitting on the current data |
---|
| 560 | """ |
---|
[f182f93] | 561 | fitter = Fit() |
---|
| 562 | |
---|
| 563 | # Data going in |
---|
| 564 | data = self.logic.data |
---|
| 565 | model = self.kernel_module |
---|
| 566 | qmin = self.q_range_min |
---|
| 567 | qmax = self.q_range_max |
---|
| 568 | params_to_fit = self.parameters_to_fit |
---|
| 569 | |
---|
[180bd54] | 570 | # Potential weights added directly to data |
---|
[9d266d2] | 571 | self.addWeightingToData(data) |
---|
| 572 | |
---|
[98b13f72] | 573 | # Potential smearing added |
---|
[180bd54] | 574 | # Remember that smearing_min/max can be None -> |
---|
| 575 | # deal with it until Python gets discriminated unions |
---|
[98b13f72] | 576 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
| 577 | |
---|
[f182f93] | 578 | # These should be updating somehow? |
---|
| 579 | fit_id = 0 |
---|
| 580 | constraints = [] |
---|
| 581 | smearer = None |
---|
| 582 | page_id = [210] |
---|
| 583 | handler = None |
---|
| 584 | batch_inputs = {} |
---|
| 585 | batch_outputs = {} |
---|
| 586 | list_page_id = [page_id] |
---|
| 587 | #--------------------------------- |
---|
| 588 | |
---|
| 589 | # Parameterize the fitter |
---|
| 590 | fitter.set_model(model, fit_id, params_to_fit, data=data, |
---|
| 591 | constraints=constraints) |
---|
[2add354] | 592 | |
---|
[f182f93] | 593 | fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, |
---|
| 594 | qmax=qmax) |
---|
| 595 | fitter.select_problem_for_fit(id=fit_id, value=1) |
---|
| 596 | |
---|
| 597 | fitter.fitter_id = page_id |
---|
| 598 | |
---|
| 599 | # Create the fitting thread, based on the fitter |
---|
| 600 | calc_fit = FitThread(handler=handler, |
---|
| 601 | fn=[fitter], |
---|
| 602 | batch_inputs=batch_inputs, |
---|
| 603 | batch_outputs=batch_outputs, |
---|
| 604 | page_id=list_page_id, |
---|
| 605 | updatefn=self.updateFit, |
---|
| 606 | completefn=None) |
---|
| 607 | |
---|
| 608 | # start the trhrhread |
---|
| 609 | calc_thread = threads.deferToThread(calc_fit.compute) |
---|
| 610 | calc_thread.addCallback(self.fitComplete) |
---|
[02ddfb4] | 611 | calc_thread.addErrback(self.fitFailed) |
---|
[f182f93] | 612 | |
---|
| 613 | #disable the Fit button |
---|
[d7ff531] | 614 | self.cmdFit.setText('Calculating...') |
---|
| 615 | self.communicate.statusBarUpdateSignal.emit('Fitting started...') |
---|
[f182f93] | 616 | self.cmdFit.setEnabled(False) |
---|
[0268aed] | 617 | |
---|
[f182f93] | 618 | def updateFit(self): |
---|
| 619 | """ |
---|
| 620 | """ |
---|
| 621 | print "UPDATE FIT" |
---|
[0268aed] | 622 | pass |
---|
| 623 | |
---|
[02ddfb4] | 624 | def fitFailed(self, reason): |
---|
| 625 | """ |
---|
| 626 | """ |
---|
| 627 | print "FIT FAILED: ", reason |
---|
| 628 | pass |
---|
| 629 | |
---|
[f182f93] | 630 | def fitComplete(self, result): |
---|
| 631 | """ |
---|
| 632 | Receive and display fitting results |
---|
| 633 | "result" is a tuple of actual result list and the fit time in seconds |
---|
| 634 | """ |
---|
| 635 | #re-enable the Fit button |
---|
| 636 | self.cmdFit.setText("Fit") |
---|
| 637 | self.cmdFit.setEnabled(True) |
---|
[d7ff531] | 638 | |
---|
| 639 | assert result is not None |
---|
| 640 | |
---|
[f182f93] | 641 | res_list = result[0] |
---|
| 642 | res = res_list[0] |
---|
| 643 | if res.fitness is None or \ |
---|
[180bd54] | 644 | not np.isfinite(res.fitness) or \ |
---|
[1bc27f1] | 645 | np.any(res.pvec is None) or \ |
---|
[180bd54] | 646 | not np.all(np.isfinite(res.pvec)): |
---|
[f182f93] | 647 | msg = "Fitting did not converge!!!" |
---|
[454670d] | 648 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
[f182f93] | 649 | logging.error(msg) |
---|
| 650 | return |
---|
| 651 | |
---|
| 652 | elapsed = result[1] |
---|
| 653 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
---|
| 654 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
| 655 | |
---|
[2add354] | 656 | self.chi2 = res.fitness |
---|
[aca8418] | 657 | param_list = res.param_list # ['radius', 'radius.width'] |
---|
| 658 | param_values = res.pvec # array([ 0.36221662, 0.0146783 ]) |
---|
| 659 | param_stderr = res.stderr # array([ 1.71293015, 1.71294233]) |
---|
[f182f93] | 660 | params_and_errors = zip(param_values, param_stderr) |
---|
| 661 | param_dict = dict(izip(param_list, params_and_errors)) |
---|
| 662 | |
---|
| 663 | # Dictionary of fitted parameter: value, error |
---|
| 664 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
---|
| 665 | self.updateModelFromList(param_dict) |
---|
| 666 | |
---|
[aca8418] | 667 | self.updatePolyModelFromList(param_dict) |
---|
| 668 | |
---|
[d7ff531] | 669 | # update charts |
---|
| 670 | self.onPlot() |
---|
| 671 | |
---|
[f182f93] | 672 | # Read only value - we can get away by just printing it here |
---|
[2add354] | 673 | chi2_repr = GuiUtils.formatNumber(self.chi2, high=True) |
---|
[f182f93] | 674 | self.lblChi2Value.setText(chi2_repr) |
---|
| 675 | |
---|
| 676 | def iterateOverModel(self, func): |
---|
| 677 | """ |
---|
| 678 | Take func and throw it inside the model row loop |
---|
| 679 | """ |
---|
| 680 | for row_i in xrange(self._model_model.rowCount()): |
---|
| 681 | func(row_i) |
---|
| 682 | |
---|
| 683 | def updateModelFromList(self, param_dict): |
---|
| 684 | """ |
---|
| 685 | Update the model with new parameters, create the errors column |
---|
| 686 | """ |
---|
| 687 | assert isinstance(param_dict, dict) |
---|
| 688 | if not dict: |
---|
| 689 | return |
---|
| 690 | |
---|
[919d47c] | 691 | def updateFittedValues(row): |
---|
[f182f93] | 692 | # Utility function for main model update |
---|
[d7ff531] | 693 | # internal so can use closure for param_dict |
---|
[919d47c] | 694 | param_name = str(self._model_model.item(row, 0).text()) |
---|
[f182f93] | 695 | if param_name not in param_dict.keys(): |
---|
| 696 | return |
---|
| 697 | # modify the param value |
---|
[454670d] | 698 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
[919d47c] | 699 | self._model_model.item(row, 1).setText(param_repr) |
---|
[f182f93] | 700 | if self.has_error_column: |
---|
[454670d] | 701 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
[919d47c] | 702 | self._model_model.item(row, 2).setText(error_repr) |
---|
[f182f93] | 703 | |
---|
[919d47c] | 704 | def updatePolyValues(row): |
---|
| 705 | # Utility function for updateof polydispersity part of the main model |
---|
| 706 | param_name = str(self._model_model.item(row, 0).text())+'.width' |
---|
| 707 | if param_name not in param_dict.keys(): |
---|
| 708 | return |
---|
| 709 | # modify the param value |
---|
| 710 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 711 | self._model_model.item(row, 0).child(0).child(0,1).setText(param_repr) |
---|
| 712 | |
---|
| 713 | def createErrorColumn(row): |
---|
[f182f93] | 714 | # Utility function for error column update |
---|
| 715 | item = QtGui.QStandardItem() |
---|
[919d47c] | 716 | def createItem(param_name): |
---|
[f182f93] | 717 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 718 | item.setText(error_repr) |
---|
[919d47c] | 719 | def curr_param(): |
---|
| 720 | return str(self._model_model.item(row, 0).text()) |
---|
| 721 | |
---|
| 722 | [createItem(param_name) for param_name in param_dict.keys() if curr_param() == param_name] |
---|
| 723 | |
---|
[f182f93] | 724 | error_column.append(item) |
---|
| 725 | |
---|
[2da5759] | 726 | # block signals temporarily, so we don't end up |
---|
| 727 | # updating charts with every single model change on the end of fitting |
---|
| 728 | self._model_model.blockSignals(True) |
---|
[d7ff531] | 729 | self.iterateOverModel(updateFittedValues) |
---|
[919d47c] | 730 | self.iterateOverModel(updatePolyValues) |
---|
[2da5759] | 731 | self._model_model.blockSignals(False) |
---|
[f182f93] | 732 | |
---|
| 733 | if self.has_error_column: |
---|
| 734 | return |
---|
| 735 | |
---|
| 736 | error_column = [] |
---|
[d7ff531] | 737 | self.iterateOverModel(createErrorColumn) |
---|
[f182f93] | 738 | |
---|
[d7ff531] | 739 | # switch off reponse to model change |
---|
| 740 | self._model_model.blockSignals(True) |
---|
[f182f93] | 741 | self._model_model.insertColumn(2, error_column) |
---|
[d7ff531] | 742 | self._model_model.blockSignals(False) |
---|
[f182f93] | 743 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
---|
[d7ff531] | 744 | # Adjust the table cells width. |
---|
| 745 | # TODO: find a way to dynamically adjust column width while resized expanding |
---|
| 746 | self.lstParams.resizeColumnToContents(0) |
---|
| 747 | self.lstParams.resizeColumnToContents(4) |
---|
| 748 | self.lstParams.resizeColumnToContents(5) |
---|
| 749 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 750 | |
---|
| 751 | self.has_error_column = True |
---|
[f182f93] | 752 | |
---|
[aca8418] | 753 | def updatePolyModelFromList(self, param_dict): |
---|
| 754 | """ |
---|
| 755 | Update the polydispersity model with new parameters, create the errors column |
---|
| 756 | """ |
---|
| 757 | assert isinstance(param_dict, dict) |
---|
| 758 | if not dict: |
---|
| 759 | return |
---|
| 760 | |
---|
| 761 | def updateFittedValues(row_i): |
---|
| 762 | # Utility function for main model update |
---|
| 763 | # internal so can use closure for param_dict |
---|
| 764 | if row_i >= self._poly_model.rowCount(): |
---|
| 765 | return |
---|
| 766 | param_name = str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
| 767 | if param_name not in param_dict.keys(): |
---|
| 768 | return |
---|
| 769 | # modify the param value |
---|
| 770 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 771 | self._poly_model.item(row_i, 1).setText(param_repr) |
---|
| 772 | if self.has_poly_error_column: |
---|
| 773 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 774 | self._poly_model.item(row_i, 2).setText(error_repr) |
---|
| 775 | |
---|
[919d47c] | 776 | |
---|
[aca8418] | 777 | def createErrorColumn(row_i): |
---|
| 778 | # Utility function for error column update |
---|
| 779 | if row_i >= self._poly_model.rowCount(): |
---|
| 780 | return |
---|
| 781 | item = QtGui.QStandardItem() |
---|
[919d47c] | 782 | |
---|
| 783 | def createItem(param_name): |
---|
[aca8418] | 784 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 785 | item.setText(error_repr) |
---|
[919d47c] | 786 | |
---|
| 787 | def poly_param(): |
---|
| 788 | return str(self._poly_model.item(row_i, 0).text()).rsplit()[-1] + '.width' |
---|
| 789 | |
---|
| 790 | [createItem(param_name) for param_name in param_dict.keys() if poly_param() == param_name] |
---|
| 791 | |
---|
[aca8418] | 792 | error_column.append(item) |
---|
| 793 | |
---|
| 794 | # block signals temporarily, so we don't end up |
---|
| 795 | # updating charts with every single model change on the end of fitting |
---|
| 796 | self._poly_model.blockSignals(True) |
---|
| 797 | self.iterateOverModel(updateFittedValues) |
---|
| 798 | self._poly_model.blockSignals(False) |
---|
| 799 | |
---|
| 800 | if self.has_poly_error_column: |
---|
| 801 | return |
---|
| 802 | |
---|
[8eaa101] | 803 | self.lstPoly.itemDelegate().addErrorColumn() |
---|
[aca8418] | 804 | error_column = [] |
---|
| 805 | self.iterateOverModel(createErrorColumn) |
---|
| 806 | |
---|
| 807 | # switch off reponse to model change |
---|
| 808 | self._poly_model.blockSignals(True) |
---|
| 809 | self._poly_model.insertColumn(2, error_column) |
---|
| 810 | self._poly_model.blockSignals(False) |
---|
| 811 | FittingUtilities.addErrorPolyHeadersToModel(self._poly_model) |
---|
| 812 | |
---|
| 813 | self.has_poly_error_column = True |
---|
| 814 | |
---|
[0268aed] | 815 | def onPlot(self): |
---|
| 816 | """ |
---|
| 817 | Plot the current set of data |
---|
| 818 | """ |
---|
[d48cc19] | 819 | # Regardless of previous state, this should now be `plot show` functionality only |
---|
| 820 | self.cmdPlot.setText("Show Plot") |
---|
[1bc27f1] | 821 | if not self.data_is_loaded: |
---|
| 822 | self.recalculatePlotData() |
---|
[d48cc19] | 823 | self.showPlot() |
---|
| 824 | |
---|
| 825 | def recalculatePlotData(self): |
---|
| 826 | """ |
---|
| 827 | Generate a new dataset for model |
---|
| 828 | """ |
---|
[180bd54] | 829 | if not self.data_is_loaded: |
---|
[0268aed] | 830 | self.createDefaultDataset() |
---|
| 831 | self.calculateQGridForModel() |
---|
| 832 | |
---|
[d48cc19] | 833 | def showPlot(self): |
---|
| 834 | """ |
---|
| 835 | Show the current plot in MPL |
---|
| 836 | """ |
---|
| 837 | # Show the chart if ready |
---|
| 838 | data_to_show = self.data if self.data_is_loaded else self.model_data |
---|
| 839 | if data_to_show is not None: |
---|
| 840 | self.communicate.plotRequestedSignal.emit([data_to_show]) |
---|
| 841 | |
---|
[180bd54] | 842 | def onOptionsUpdate(self): |
---|
[0268aed] | 843 | """ |
---|
[180bd54] | 844 | Update local option values and replot |
---|
[0268aed] | 845 | """ |
---|
[180bd54] | 846 | self.q_range_min, self.q_range_max, self.npts, self.log_points, self.weighting = \ |
---|
| 847 | self.options_widget.state() |
---|
[61a92d4] | 848 | # set Q range labels on the main tab |
---|
| 849 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 850 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
[d48cc19] | 851 | self.recalculatePlotData() |
---|
[6c8fb2c] | 852 | |
---|
[0268aed] | 853 | def setDefaultStructureCombo(self): |
---|
| 854 | """ |
---|
| 855 | Fill in the structure factors combo box with defaults |
---|
| 856 | """ |
---|
| 857 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
---|
| 858 | factors = [factor[0] for factor in structure_factor_list] |
---|
| 859 | factors.insert(0, STRUCTURE_DEFAULT) |
---|
| 860 | self.cbStructureFactor.clear() |
---|
| 861 | self.cbStructureFactor.addItems(sorted(factors)) |
---|
| 862 | |
---|
[4d457df] | 863 | def createDefaultDataset(self): |
---|
| 864 | """ |
---|
| 865 | Generate default Dataset 1D/2D for the given model |
---|
| 866 | """ |
---|
| 867 | # Create default datasets if no data passed |
---|
| 868 | if self.is2D: |
---|
[180bd54] | 869 | qmax = self.q_range_max/np.sqrt(2) |
---|
[4d457df] | 870 | qstep = self.npts |
---|
| 871 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
---|
[180bd54] | 872 | return |
---|
| 873 | elif self.log_points: |
---|
| 874 | qmin = -10.0 if self.q_range_min < 1.e-10 else np.log10(self.q_range_min) |
---|
[1bc27f1] | 875 | qmax = 10.0 if self.q_range_max > 1.e10 else np.log10(self.q_range_max) |
---|
[180bd54] | 876 | interval = np.logspace(start=qmin, stop=qmax, num=self.npts, endpoint=True, base=10.0) |
---|
[4d457df] | 877 | else: |
---|
[180bd54] | 878 | interval = np.linspace(start=self.q_range_min, stop=self.q_range_max, |
---|
[1bc27f1] | 879 | num=self.npts, endpoint=True) |
---|
[180bd54] | 880 | self.logic.createDefault1dData(interval, self.tab_id) |
---|
[60af928] | 881 | |
---|
[5236449] | 882 | def readCategoryInfo(self): |
---|
[60af928] | 883 | """ |
---|
| 884 | Reads the categories in from file |
---|
| 885 | """ |
---|
| 886 | self.master_category_dict = defaultdict(list) |
---|
| 887 | self.by_model_dict = defaultdict(list) |
---|
| 888 | self.model_enabled_dict = defaultdict(bool) |
---|
| 889 | |
---|
[cbcdd2c] | 890 | categorization_file = CategoryInstaller.get_user_file() |
---|
| 891 | if not os.path.isfile(categorization_file): |
---|
| 892 | categorization_file = CategoryInstaller.get_default_file() |
---|
| 893 | with open(categorization_file, 'rb') as cat_file: |
---|
[60af928] | 894 | self.master_category_dict = json.load(cat_file) |
---|
[5236449] | 895 | self.regenerateModelDict() |
---|
[60af928] | 896 | |
---|
[5236449] | 897 | # Load the model dict |
---|
| 898 | models = load_standard_models() |
---|
| 899 | for model in models: |
---|
| 900 | self.models[model.name] = model |
---|
| 901 | |
---|
| 902 | def regenerateModelDict(self): |
---|
[60af928] | 903 | """ |
---|
[cbcdd2c] | 904 | Regenerates self.by_model_dict which has each model name as the |
---|
[60af928] | 905 | key and the list of categories belonging to that model |
---|
| 906 | along with the enabled mapping |
---|
| 907 | """ |
---|
| 908 | self.by_model_dict = defaultdict(list) |
---|
| 909 | for category in self.master_category_dict: |
---|
| 910 | for (model, enabled) in self.master_category_dict[category]: |
---|
| 911 | self.by_model_dict[model].append(category) |
---|
| 912 | self.model_enabled_dict[model] = enabled |
---|
| 913 | |
---|
[86f88d1] | 914 | def addBackgroundToModel(self, model): |
---|
| 915 | """ |
---|
| 916 | Adds background parameter with default values to the model |
---|
| 917 | """ |
---|
[cbcdd2c] | 918 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 919 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
---|
[4d457df] | 920 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[2add354] | 921 | last_row = model.rowCount()-1 |
---|
| 922 | model.item(last_row, 0).setEditable(False) |
---|
| 923 | model.item(last_row, 4).setEditable(False) |
---|
[86f88d1] | 924 | |
---|
| 925 | def addScaleToModel(self, model): |
---|
| 926 | """ |
---|
| 927 | Adds scale parameter with default values to the model |
---|
| 928 | """ |
---|
[cbcdd2c] | 929 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 930 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
---|
[4d457df] | 931 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[2add354] | 932 | last_row = model.rowCount()-1 |
---|
| 933 | model.item(last_row, 0).setEditable(False) |
---|
| 934 | model.item(last_row, 4).setEditable(False) |
---|
[86f88d1] | 935 | |
---|
[9d266d2] | 936 | def addWeightingToData(self, data): |
---|
| 937 | """ |
---|
| 938 | Adds weighting contribution to fitting data |
---|
[1bc27f1] | 939 | """ |
---|
[e1e3e09] | 940 | # Send original data for weighting |
---|
[dc5ef15] | 941 | weight = FittingUtilities.getWeight(data=data, is2d=self.is2D, flag=self.weighting) |
---|
[180bd54] | 942 | update_module = data.err_data if self.is2D else data.dy |
---|
[6964d44] | 943 | # Overwrite relevant values in data |
---|
[180bd54] | 944 | update_module = weight |
---|
[9d266d2] | 945 | |
---|
[0268aed] | 946 | def updateQRange(self): |
---|
| 947 | """ |
---|
| 948 | Updates Q Range display |
---|
| 949 | """ |
---|
| 950 | if self.data_is_loaded: |
---|
| 951 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
| 952 | # set Q range labels on the main tab |
---|
| 953 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 954 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
| 955 | # set Q range labels on the options tab |
---|
[180bd54] | 956 | self.options_widget.updateQRange(self.q_range_min, self.q_range_max, self.npts) |
---|
[0268aed] | 957 | |
---|
[4d457df] | 958 | def SASModelToQModel(self, model_name, structure_factor=None): |
---|
[60af928] | 959 | """ |
---|
[cbcdd2c] | 960 | Setting model parameters into table based on selected category |
---|
[60af928] | 961 | """ |
---|
| 962 | # Crete/overwrite model items |
---|
| 963 | self._model_model.clear() |
---|
[5236449] | 964 | |
---|
[fd1ae6d1] | 965 | # First, add parameters from the main model |
---|
| 966 | if model_name is not None: |
---|
| 967 | self.fromModelToQModel(model_name) |
---|
[5236449] | 968 | |
---|
[fd1ae6d1] | 969 | # Then, add structure factor derived parameters |
---|
[cd31251] | 970 | if structure_factor is not None and structure_factor != "None": |
---|
[fd1ae6d1] | 971 | if model_name is None: |
---|
| 972 | # Instantiate the current sasmodel for SF-only models |
---|
| 973 | self.kernel_module = self.models[structure_factor]() |
---|
| 974 | self.fromStructureFactorToQModel(structure_factor) |
---|
[cd31251] | 975 | else: |
---|
[fd1ae6d1] | 976 | # Allow the SF combobox visibility for the given sasmodel |
---|
| 977 | self.enableStructureFactorControl(structure_factor) |
---|
[cd31251] | 978 | |
---|
[fd1ae6d1] | 979 | # Then, add multishells |
---|
| 980 | if model_name is not None: |
---|
| 981 | # Multishell models need additional treatment |
---|
| 982 | self.addExtraShells() |
---|
[86f88d1] | 983 | |
---|
[5236449] | 984 | # Add polydispersity to the model |
---|
[86f88d1] | 985 | self.setPolyModel() |
---|
[5236449] | 986 | # Add magnetic parameters to the model |
---|
[86f88d1] | 987 | self.setMagneticModel() |
---|
[5236449] | 988 | |
---|
[a9b568c] | 989 | # Adjust the table cells width |
---|
| 990 | self.lstParams.resizeColumnToContents(0) |
---|
| 991 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 992 | |
---|
[5236449] | 993 | # Now we claim the model has been loaded |
---|
[86f88d1] | 994 | self.model_is_loaded = True |
---|
| 995 | |
---|
[fd1ae6d1] | 996 | # (Re)-create headers |
---|
| 997 | FittingUtilities.addHeadersToModel(self._model_model) |
---|
[6964d44] | 998 | self.lstParams.header().setFont(self.boldFont) |
---|
[fd1ae6d1] | 999 | |
---|
[5236449] | 1000 | # Update Q Ranges |
---|
| 1001 | self.updateQRange() |
---|
| 1002 | |
---|
[fd1ae6d1] | 1003 | def fromModelToQModel(self, model_name): |
---|
| 1004 | """ |
---|
| 1005 | Setting model parameters into QStandardItemModel based on selected _model_ |
---|
| 1006 | """ |
---|
| 1007 | kernel_module = generate.load_kernel_module(model_name) |
---|
| 1008 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
| 1009 | |
---|
| 1010 | # Instantiate the current sasmodel |
---|
| 1011 | self.kernel_module = self.models[model_name]() |
---|
| 1012 | |
---|
| 1013 | # Explicitly add scale and background with default values |
---|
[6964d44] | 1014 | temp_undo_state = self.undo_supported |
---|
| 1015 | self.undo_supported = False |
---|
[fd1ae6d1] | 1016 | self.addScaleToModel(self._model_model) |
---|
| 1017 | self.addBackgroundToModel(self._model_model) |
---|
[6964d44] | 1018 | self.undo_supported = temp_undo_state |
---|
[fd1ae6d1] | 1019 | |
---|
| 1020 | # Update the QModel |
---|
[aca8418] | 1021 | new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.kernel_module, self.is2D) |
---|
| 1022 | |
---|
[fd1ae6d1] | 1023 | for row in new_rows: |
---|
| 1024 | self._model_model.appendRow(row) |
---|
| 1025 | # Update the counter used for multishell display |
---|
| 1026 | self._last_model_row = self._model_model.rowCount() |
---|
| 1027 | |
---|
| 1028 | def fromStructureFactorToQModel(self, structure_factor): |
---|
| 1029 | """ |
---|
| 1030 | Setting model parameters into QStandardItemModel based on selected _structure factor_ |
---|
| 1031 | """ |
---|
| 1032 | structure_module = generate.load_kernel_module(structure_factor) |
---|
| 1033 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
---|
| 1034 | |
---|
| 1035 | new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D) |
---|
| 1036 | for row in new_rows: |
---|
| 1037 | self._model_model.appendRow(row) |
---|
| 1038 | # Update the counter used for multishell display |
---|
| 1039 | self._last_model_row = self._model_model.rowCount() |
---|
| 1040 | |
---|
[cd31251] | 1041 | def updateParamsFromModel(self, item): |
---|
| 1042 | """ |
---|
| 1043 | Callback method for updating the sasmodel parameters with the GUI values |
---|
| 1044 | """ |
---|
[cbcdd2c] | 1045 | model_column = item.column() |
---|
[cd31251] | 1046 | |
---|
| 1047 | if model_column == 0: |
---|
[f182f93] | 1048 | self.checkboxSelected(item) |
---|
[2add354] | 1049 | self.cmdFit.setEnabled(self.parameters_to_fit != [] and self.logic.data_is_loaded) |
---|
[6964d44] | 1050 | # Update state stack |
---|
| 1051 | self.updateUndo() |
---|
[cd31251] | 1052 | return |
---|
| 1053 | |
---|
[f182f93] | 1054 | model_row = item.row() |
---|
| 1055 | name_index = self._model_model.index(model_row, 0) |
---|
| 1056 | |
---|
[cd31251] | 1057 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
---|
[2add354] | 1058 | try: |
---|
| 1059 | value = float(item.text()) |
---|
| 1060 | except ValueError: |
---|
| 1061 | # Unparsable field |
---|
| 1062 | return |
---|
[cbcdd2c] | 1063 | parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. |
---|
[00b3b40] | 1064 | property_index = self._model_model.headerData(1, model_column).toInt()[0]-1 # Value, min, max, etc. |
---|
[cbcdd2c] | 1065 | |
---|
[00b3b40] | 1066 | # Update the parameter value - note: this supports +/-inf as well |
---|
[cbcdd2c] | 1067 | self.kernel_module.params[parameter_name] = value |
---|
| 1068 | |
---|
| 1069 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
[00b3b40] | 1070 | self.kernel_module.details[parameter_name][property_index] = value |
---|
| 1071 | |
---|
| 1072 | # TODO: magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
| 1073 | # TODO: multishell params in self.kernel_module.details[??] = value |
---|
[cbcdd2c] | 1074 | |
---|
[d7ff531] | 1075 | # Force the chart update when actual parameters changed |
---|
| 1076 | if model_column == 1: |
---|
[d48cc19] | 1077 | self.recalculatePlotData() |
---|
[7d077d1] | 1078 | |
---|
[2241130] | 1079 | # Update state stack |
---|
[00b3b40] | 1080 | self.updateUndo() |
---|
[2241130] | 1081 | |
---|
[f182f93] | 1082 | def checkboxSelected(self, item): |
---|
| 1083 | # Assure we're dealing with checkboxes |
---|
| 1084 | if not item.isCheckable(): |
---|
| 1085 | return |
---|
| 1086 | status = item.checkState() |
---|
| 1087 | |
---|
| 1088 | def isCheckable(row): |
---|
| 1089 | return self._model_model.item(row, 0).isCheckable() |
---|
| 1090 | |
---|
| 1091 | # If multiple rows selected - toggle all of them, filtering uncheckable |
---|
| 1092 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] |
---|
| 1093 | |
---|
| 1094 | # Switch off signaling from the model to avoid recursion |
---|
| 1095 | self._model_model.blockSignals(True) |
---|
| 1096 | # Convert to proper indices and set requested enablement |
---|
[aca8418] | 1097 | [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
---|
[f182f93] | 1098 | self._model_model.blockSignals(False) |
---|
| 1099 | |
---|
| 1100 | # update the list of parameters to fit |
---|
[c1e380e] | 1101 | main_params = self.checkedListFromModel(self._model_model) |
---|
| 1102 | poly_params = self.checkedListFromModel(self._poly_model) |
---|
| 1103 | # Retrieve poly params names |
---|
[358b39d] | 1104 | poly_params = [param.rsplit()[-1] + '.width' for param in poly_params] |
---|
[c1e380e] | 1105 | # TODO : add magnetic params |
---|
| 1106 | |
---|
| 1107 | self.parameters_to_fit = main_params + poly_params |
---|
| 1108 | |
---|
| 1109 | def checkedListFromModel(self, model): |
---|
| 1110 | """ |
---|
| 1111 | Returns list of checked parameters for given model |
---|
| 1112 | """ |
---|
| 1113 | def isChecked(row): |
---|
| 1114 | return model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
| 1115 | |
---|
| 1116 | return [str(model.item(row_index, 0).text()) |
---|
| 1117 | for row_index in xrange(model.rowCount()) |
---|
| 1118 | if isChecked(row_index)] |
---|
[f182f93] | 1119 | |
---|
[6fd4e36] | 1120 | def nameForFittedData(self, name): |
---|
[5236449] | 1121 | """ |
---|
[6fd4e36] | 1122 | Generate name for the current fit |
---|
[5236449] | 1123 | """ |
---|
| 1124 | if self.is2D: |
---|
| 1125 | name += "2d" |
---|
| 1126 | name = "M%i [%s]" % (self.tab_id, name) |
---|
[6fd4e36] | 1127 | return name |
---|
| 1128 | |
---|
| 1129 | def createNewIndex(self, fitted_data): |
---|
| 1130 | """ |
---|
| 1131 | Create a model or theory index with passed Data1D/Data2D |
---|
| 1132 | """ |
---|
| 1133 | if self.data_is_loaded: |
---|
[0268aed] | 1134 | if not fitted_data.name: |
---|
| 1135 | name = self.nameForFittedData(self.data.filename) |
---|
| 1136 | fitted_data.title = name |
---|
| 1137 | fitted_data.name = name |
---|
| 1138 | fitted_data.filename = name |
---|
[7d077d1] | 1139 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 1140 | self.updateModelIndex(fitted_data) |
---|
| 1141 | else: |
---|
[0268aed] | 1142 | name = self.nameForFittedData(self.kernel_module.name) |
---|
| 1143 | fitted_data.title = name |
---|
| 1144 | fitted_data.name = name |
---|
| 1145 | fitted_data.filename = name |
---|
| 1146 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 1147 | self.createTheoryIndex(fitted_data) |
---|
| 1148 | |
---|
| 1149 | def updateModelIndex(self, fitted_data): |
---|
| 1150 | """ |
---|
| 1151 | Update a QStandardModelIndex containing model data |
---|
| 1152 | """ |
---|
[00b3b40] | 1153 | name = self.nameFromData(fitted_data) |
---|
[0268aed] | 1154 | # Make this a line if no other defined |
---|
[7d077d1] | 1155 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
---|
[0268aed] | 1156 | fitted_data.symbol = 'Line' |
---|
[6fd4e36] | 1157 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
| 1158 | GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) |
---|
| 1159 | |
---|
| 1160 | def createTheoryIndex(self, fitted_data): |
---|
| 1161 | """ |
---|
| 1162 | Create a QStandardModelIndex containing model data |
---|
| 1163 | """ |
---|
[00b3b40] | 1164 | name = self.nameFromData(fitted_data) |
---|
| 1165 | # Notify the GUI manager so it can create the theory model in DataExplorer |
---|
| 1166 | new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) |
---|
| 1167 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
---|
| 1168 | |
---|
| 1169 | def nameFromData(self, fitted_data): |
---|
| 1170 | """ |
---|
| 1171 | Return name for the dataset. Terribly impure function. |
---|
| 1172 | """ |
---|
[0268aed] | 1173 | if fitted_data.name is None: |
---|
[00b3b40] | 1174 | name = self.nameForFittedData(self.logic.data.filename) |
---|
[0268aed] | 1175 | fitted_data.title = name |
---|
| 1176 | fitted_data.name = name |
---|
| 1177 | fitted_data.filename = name |
---|
| 1178 | else: |
---|
| 1179 | name = fitted_data.name |
---|
[00b3b40] | 1180 | return name |
---|
[5236449] | 1181 | |
---|
[4d457df] | 1182 | def methodCalculateForData(self): |
---|
| 1183 | '''return the method for data calculation''' |
---|
| 1184 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
| 1185 | |
---|
| 1186 | def methodCompleteForData(self): |
---|
| 1187 | '''return the method for result parsin on calc complete ''' |
---|
| 1188 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
| 1189 | |
---|
[b1e36a3] | 1190 | def calculateQGridForModel(self): |
---|
[86f88d1] | 1191 | """ |
---|
| 1192 | Prepare the fitting data object, based on current ModelModel |
---|
| 1193 | """ |
---|
[180bd54] | 1194 | if self.kernel_module is None: |
---|
| 1195 | return |
---|
[4d457df] | 1196 | # Awful API to a backend method. |
---|
| 1197 | method = self.methodCalculateForData()(data=self.data, |
---|
[1bc27f1] | 1198 | model=self.kernel_module, |
---|
| 1199 | page_id=0, |
---|
| 1200 | qmin=self.q_range_min, |
---|
| 1201 | qmax=self.q_range_max, |
---|
| 1202 | smearer=None, |
---|
| 1203 | state=None, |
---|
| 1204 | weight=None, |
---|
| 1205 | fid=None, |
---|
| 1206 | toggle_mode_on=False, |
---|
| 1207 | completefn=None, |
---|
| 1208 | update_chisqr=True, |
---|
| 1209 | exception_handler=self.calcException, |
---|
| 1210 | source=None) |
---|
[4d457df] | 1211 | |
---|
| 1212 | calc_thread = threads.deferToThread(method.compute) |
---|
| 1213 | calc_thread.addCallback(self.methodCompleteForData()) |
---|
[c1e380e] | 1214 | calc_thread.addErrback(self.calculateDataFailed) |
---|
[6964d44] | 1215 | |
---|
[aca8418] | 1216 | def calculateDataFailed(self, reason): |
---|
[6964d44] | 1217 | """ |
---|
[c1e380e] | 1218 | Thread returned error |
---|
[6964d44] | 1219 | """ |
---|
[aca8418] | 1220 | print "Calculate Data failed with ", reason |
---|
[5236449] | 1221 | |
---|
[cbcdd2c] | 1222 | def complete1D(self, return_data): |
---|
[5236449] | 1223 | """ |
---|
[4d457df] | 1224 | Plot the current 1D data |
---|
| 1225 | """ |
---|
[d48cc19] | 1226 | fitted_data = self.logic.new1DPlot(return_data, self.tab_id) |
---|
| 1227 | self.calculateResiduals(fitted_data) |
---|
| 1228 | self.model_data = fitted_data |
---|
[cbcdd2c] | 1229 | |
---|
| 1230 | def complete2D(self, return_data): |
---|
| 1231 | """ |
---|
[4d457df] | 1232 | Plot the current 2D data |
---|
| 1233 | """ |
---|
[6fd4e36] | 1234 | fitted_data = self.logic.new2DPlot(return_data) |
---|
| 1235 | self.calculateResiduals(fitted_data) |
---|
[d48cc19] | 1236 | self.model_data = fitted_data |
---|
[6fd4e36] | 1237 | |
---|
| 1238 | def calculateResiduals(self, fitted_data): |
---|
| 1239 | """ |
---|
| 1240 | Calculate and print Chi2 and display chart of residuals |
---|
| 1241 | """ |
---|
| 1242 | # Create a new index for holding data |
---|
[7d077d1] | 1243 | fitted_data.symbol = "Line" |
---|
[6964d44] | 1244 | |
---|
| 1245 | # Modify fitted_data with weighting |
---|
| 1246 | self.addWeightingToData(fitted_data) |
---|
| 1247 | |
---|
[6fd4e36] | 1248 | self.createNewIndex(fitted_data) |
---|
| 1249 | # Calculate difference between return_data and logic.data |
---|
[2add354] | 1250 | self.chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
---|
[6fd4e36] | 1251 | # Update the control |
---|
[2add354] | 1252 | chi2_repr = "---" if self.chi2 is None else GuiUtils.formatNumber(self.chi2, high=True) |
---|
[f182f93] | 1253 | self.lblChi2Value.setText(chi2_repr) |
---|
[cbcdd2c] | 1254 | |
---|
[d48cc19] | 1255 | self.communicate.plotUpdateSignal.emit([fitted_data]) |
---|
| 1256 | |
---|
[0268aed] | 1257 | # Plot residuals if actual data |
---|
[aca8418] | 1258 | if not self.data_is_loaded: |
---|
| 1259 | return |
---|
| 1260 | |
---|
| 1261 | residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) |
---|
| 1262 | residuals_plot.id = "Residual " + residuals_plot.id |
---|
| 1263 | self.createNewIndex(residuals_plot) |
---|
| 1264 | self.communicate.plotUpdateSignal.emit([residuals_plot]) |
---|
[5236449] | 1265 | |
---|
| 1266 | def calcException(self, etype, value, tb): |
---|
| 1267 | """ |
---|
[c1e380e] | 1268 | Thread threw an exception. |
---|
[5236449] | 1269 | """ |
---|
[c1e380e] | 1270 | # TODO: remimplement thread cancellation |
---|
[5236449] | 1271 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
---|
[60af928] | 1272 | |
---|
| 1273 | def setTableProperties(self, table): |
---|
| 1274 | """ |
---|
| 1275 | Setting table properties |
---|
| 1276 | """ |
---|
| 1277 | # Table properties |
---|
| 1278 | table.verticalHeader().setVisible(False) |
---|
| 1279 | table.setAlternatingRowColors(True) |
---|
| 1280 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 1281 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
---|
[f46f6dc] | 1282 | table.resizeColumnsToContents() |
---|
| 1283 | |
---|
[60af928] | 1284 | # Header |
---|
| 1285 | header = table.horizontalHeader() |
---|
[f46f6dc] | 1286 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
---|
| 1287 | |
---|
| 1288 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
---|
[b1e36a3] | 1289 | # Resize column 0 and 6 to content |
---|
[f46f6dc] | 1290 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
---|
| 1291 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
---|
[60af928] | 1292 | |
---|
| 1293 | def setPolyModel(self): |
---|
| 1294 | """ |
---|
| 1295 | Set polydispersity values |
---|
| 1296 | """ |
---|
[86f88d1] | 1297 | if not self.model_parameters: |
---|
| 1298 | return |
---|
| 1299 | self._poly_model.clear() |
---|
| 1300 | |
---|
[aca8418] | 1301 | [self.setPolyModelParameters(row, param) for row, param in \ |
---|
| 1302 | enumerate(self.model_parameters.form_volume_parameters) if param.polydisperse] |
---|
[4d457df] | 1303 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
[60af928] | 1304 | |
---|
[aca8418] | 1305 | def setPolyModelParameters(self, row, param): |
---|
| 1306 | """ |
---|
[1643d8ed] | 1307 | Creates a checked row for a polydisperse parameter |
---|
[aca8418] | 1308 | """ |
---|
[06b0138] | 1309 | # Not suitable for multishell |
---|
| 1310 | if '[' in param.name: |
---|
| 1311 | return |
---|
[144ec831] | 1312 | # Polydisp. values from the sasmodel |
---|
| 1313 | width = self.kernel_module.getParam(param.name + '.width') |
---|
| 1314 | npts = self.kernel_module.getParam(param.name + '.npts') |
---|
| 1315 | nsigs = self.kernel_module.getParam(param.name + '.nsigmas') |
---|
| 1316 | |
---|
| 1317 | # Construct a row with polydisp. related variable. |
---|
| 1318 | # This will get added to the polydisp. model |
---|
| 1319 | # Note: last argument needs extra space padding for decent display of the control |
---|
| 1320 | checked_list = ["Distribution of " + param.name, str(width), |
---|
[aca8418] | 1321 | str(param.limits[0]), str(param.limits[1]), |
---|
| 1322 | str(npts), str(nsigs), "gaussian "] |
---|
| 1323 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
| 1324 | |
---|
| 1325 | # All possible polydisp. functions as strings in combobox |
---|
| 1326 | func = QtGui.QComboBox() |
---|
| 1327 | func.addItems([str(name_disp) for name_disp in POLYDISPERSITY_MODELS.iterkeys()]) |
---|
[144ec831] | 1328 | # set the default index |
---|
[aca8418] | 1329 | func.setCurrentIndex(func.findText(DEFAULT_POLYDISP_FUNCTION)) |
---|
| 1330 | |
---|
| 1331 | def onPolyComboIndexChange(self, combo_string, row_index): |
---|
| 1332 | """ |
---|
| 1333 | Modify polydisp. defaults on function choice |
---|
| 1334 | """ |
---|
[144ec831] | 1335 | # Get npts/nsigs for current selection |
---|
[aca8418] | 1336 | param = self.model_parameters.form_volume_parameters[row_index] |
---|
| 1337 | |
---|
[919d47c] | 1338 | def updateFunctionCaption(row): |
---|
| 1339 | # Utility function for update of polydispersity function name in the main model |
---|
[1643d8ed] | 1340 | param_name = str(self._model_model.item(row, 0).text()) |
---|
[919d47c] | 1341 | if param_name != param.name: |
---|
| 1342 | return |
---|
[144ec831] | 1343 | # Modify the param value |
---|
[919d47c] | 1344 | self._model_model.item(row, 0).child(0).child(0,4).setText(combo_string) |
---|
| 1345 | |
---|
[aca8418] | 1346 | if combo_string == 'array': |
---|
| 1347 | try: |
---|
| 1348 | self.loadPolydispArray() |
---|
[919d47c] | 1349 | # Update main model for display |
---|
| 1350 | self.iterateOverModel(updateFunctionCaption) |
---|
[06b0138] | 1351 | except (ValueError, IOError): |
---|
[aca8418] | 1352 | # Don't do anything if file lookup failed |
---|
| 1353 | return |
---|
| 1354 | # disable the row |
---|
| 1355 | [self._poly_model.item(row_index, i).setEnabled(False) for i in xrange(6)] |
---|
| 1356 | return |
---|
| 1357 | |
---|
| 1358 | # Enable the row in case it was disabled by Array |
---|
[919d47c] | 1359 | self._poly_model.blockSignals(True) |
---|
| 1360 | [self._poly_model.item(row_index, i).setEnabled(True) for i in xrange(6)] |
---|
| 1361 | self._poly_model.blockSignals(False) |
---|
[aca8418] | 1362 | |
---|
[8eaa101] | 1363 | npts_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_npts) |
---|
| 1364 | nsigs_index = self._poly_model.index(row_index, self.lstPoly.itemDelegate().poly_nsigs) |
---|
[aca8418] | 1365 | |
---|
| 1366 | npts = POLYDISPERSITY_MODELS[str(combo_string)].default['npts'] |
---|
| 1367 | nsigs = POLYDISPERSITY_MODELS[str(combo_string)].default['nsigmas'] |
---|
| 1368 | |
---|
| 1369 | self._poly_model.setData(npts_index, QtCore.QVariant(npts)) |
---|
| 1370 | self._poly_model.setData(nsigs_index, QtCore.QVariant(nsigs)) |
---|
| 1371 | |
---|
[919d47c] | 1372 | self.iterateOverModel(updateFunctionCaption) |
---|
| 1373 | |
---|
[aca8418] | 1374 | def loadPolydispArray(self): |
---|
| 1375 | """ |
---|
| 1376 | Show the load file dialog and loads requested data into state |
---|
| 1377 | """ |
---|
| 1378 | datafile = QtGui.QFileDialog.getOpenFileName( |
---|
[72f4834] | 1379 | self, "Choose a weight file", "", "All files (*.*)", |
---|
| 1380 | None, QtGui.QFileDialog.DontUseNativeDialog) |
---|
| 1381 | |
---|
| 1382 | if datafile is None: |
---|
[aca8418] | 1383 | logging.info("No weight data chosen.") |
---|
[1643d8ed] | 1384 | raise IOError |
---|
[72f4834] | 1385 | |
---|
[aca8418] | 1386 | values = [] |
---|
| 1387 | weights = [] |
---|
[919d47c] | 1388 | def appendData(data_tuple): |
---|
| 1389 | """ |
---|
| 1390 | Fish out floats from a tuple of strings |
---|
| 1391 | """ |
---|
| 1392 | try: |
---|
| 1393 | values.append(float(data_tuple[0])) |
---|
| 1394 | weights.append(float(data_tuple[1])) |
---|
| 1395 | except (ValueError, IndexError): |
---|
| 1396 | # just pass through if line with bad data |
---|
| 1397 | return |
---|
| 1398 | |
---|
[aca8418] | 1399 | with open(datafile, 'r') as column_file: |
---|
| 1400 | column_data = [line.rstrip().split() for line in column_file.readlines()] |
---|
[919d47c] | 1401 | [appendData(line) for line in column_data] |
---|
[aca8418] | 1402 | |
---|
[1643d8ed] | 1403 | # If everything went well - update the sasmodel values |
---|
[aca8418] | 1404 | self.disp_model = POLYDISPERSITY_MODELS['array']() |
---|
| 1405 | self.disp_model.set_weights(np.array(values), np.array(weights)) |
---|
| 1406 | |
---|
[60af928] | 1407 | def setMagneticModel(self): |
---|
| 1408 | """ |
---|
| 1409 | Set magnetism values on model |
---|
| 1410 | """ |
---|
[86f88d1] | 1411 | if not self.model_parameters: |
---|
| 1412 | return |
---|
| 1413 | self._magnet_model.clear() |
---|
[aca8418] | 1414 | [self.addCheckedMagneticListToModel(param, self._magnet_model) for param in \ |
---|
[06b0138] | 1415 | self.model_parameters.call_parameters if param.type == 'magnetic'] |
---|
[4d457df] | 1416 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
[60af928] | 1417 | |
---|
[aca8418] | 1418 | def addCheckedMagneticListToModel(self, param, model): |
---|
| 1419 | """ |
---|
| 1420 | Wrapper for model update with a subset of magnetic parameters |
---|
| 1421 | """ |
---|
| 1422 | checked_list = [param.name, |
---|
| 1423 | str(param.default), |
---|
| 1424 | str(param.limits[0]), |
---|
| 1425 | str(param.limits[1]), |
---|
| 1426 | param.units] |
---|
| 1427 | |
---|
| 1428 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
| 1429 | |
---|
[fd1ae6d1] | 1430 | def enableStructureFactorControl(self, structure_factor): |
---|
[cd31251] | 1431 | """ |
---|
| 1432 | Add structure factors to the list of parameters |
---|
| 1433 | """ |
---|
[fd1ae6d1] | 1434 | if self.kernel_module.is_form_factor or structure_factor == 'None': |
---|
[cd31251] | 1435 | self.enableStructureCombo() |
---|
| 1436 | else: |
---|
| 1437 | self.disableStructureCombo() |
---|
| 1438 | |
---|
[60af928] | 1439 | def addExtraShells(self): |
---|
| 1440 | """ |
---|
[f46f6dc] | 1441 | Add a combobox for multiple shell display |
---|
[60af928] | 1442 | """ |
---|
[4d457df] | 1443 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
[f46f6dc] | 1444 | |
---|
| 1445 | if param_length == 0: |
---|
| 1446 | return |
---|
| 1447 | |
---|
[6f7f652] | 1448 | # cell 1: variable name |
---|
[f46f6dc] | 1449 | item1 = QtGui.QStandardItem(param_name) |
---|
| 1450 | |
---|
[60af928] | 1451 | func = QtGui.QComboBox() |
---|
[b1e36a3] | 1452 | # Available range of shells displayed in the combobox |
---|
| 1453 | func.addItems([str(i) for i in xrange(param_length+1)]) |
---|
[a9b568c] | 1454 | |
---|
[b1e36a3] | 1455 | # Respond to index change |
---|
[86f88d1] | 1456 | func.currentIndexChanged.connect(self.modifyShellsInList) |
---|
[60af928] | 1457 | |
---|
[6f7f652] | 1458 | # cell 2: combobox |
---|
[f46f6dc] | 1459 | item2 = QtGui.QStandardItem() |
---|
| 1460 | self._model_model.appendRow([item1, item2]) |
---|
[60af928] | 1461 | |
---|
[6f7f652] | 1462 | # Beautify the row: span columns 2-4 |
---|
[60af928] | 1463 | shell_row = self._model_model.rowCount() |
---|
[f46f6dc] | 1464 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
[86f88d1] | 1465 | |
---|
[4d457df] | 1466 | self.lstParams.setIndexWidget(shell_index, func) |
---|
[86f88d1] | 1467 | self._last_model_row = self._model_model.rowCount() |
---|
| 1468 | |
---|
[a9b568c] | 1469 | # Set the index to the state-kept value |
---|
| 1470 | func.setCurrentIndex(self.current_shell_displayed |
---|
| 1471 | if self.current_shell_displayed < func.count() else 0) |
---|
| 1472 | |
---|
[86f88d1] | 1473 | def modifyShellsInList(self, index): |
---|
| 1474 | """ |
---|
| 1475 | Add/remove additional multishell parameters |
---|
| 1476 | """ |
---|
| 1477 | # Find row location of the combobox |
---|
| 1478 | last_row = self._last_model_row |
---|
| 1479 | remove_rows = self._model_model.rowCount() - last_row |
---|
| 1480 | |
---|
| 1481 | if remove_rows > 1: |
---|
| 1482 | self._model_model.removeRows(last_row, remove_rows) |
---|
| 1483 | |
---|
[4d457df] | 1484 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
---|
[a9b568c] | 1485 | self.current_shell_displayed = index |
---|
[60af928] | 1486 | |
---|
[672b8ab] | 1487 | def readFitPage(self, fp): |
---|
| 1488 | """ |
---|
| 1489 | Read in state from a fitpage object and update GUI |
---|
| 1490 | """ |
---|
| 1491 | assert isinstance(fp, FitPage) |
---|
| 1492 | # Main tab info |
---|
| 1493 | self.logic.data.filename = fp.filename |
---|
| 1494 | self.data_is_loaded = fp.data_is_loaded |
---|
| 1495 | self.chkPolydispersity.setCheckState(fp.is_polydisperse) |
---|
| 1496 | self.chkMagnetism.setCheckState(fp.is_magnetic) |
---|
| 1497 | self.chk2DView.setCheckState(fp.is2D) |
---|
| 1498 | |
---|
| 1499 | # Update the comboboxes |
---|
| 1500 | self.cbCategory.setCurrentIndex(self.cbCategory.findText(fp.current_category)) |
---|
| 1501 | self.cbModel.setCurrentIndex(self.cbModel.findText(fp.current_model)) |
---|
| 1502 | if fp.current_factor: |
---|
| 1503 | self.cbStructureFactor.setCurrentIndex(self.cbStructureFactor.findText(fp.current_factor)) |
---|
| 1504 | |
---|
| 1505 | self.chi2 = fp.chi2 |
---|
| 1506 | |
---|
| 1507 | # Options tab |
---|
| 1508 | self.q_range_min = fp.fit_options[fp.MIN_RANGE] |
---|
| 1509 | self.q_range_max = fp.fit_options[fp.MAX_RANGE] |
---|
| 1510 | self.npts = fp.fit_options[fp.NPTS] |
---|
| 1511 | self.log_points = fp.fit_options[fp.LOG_POINTS] |
---|
| 1512 | self.weighting = fp.fit_options[fp.WEIGHTING] |
---|
| 1513 | |
---|
| 1514 | # Models |
---|
[d60da0c] | 1515 | self._model_model = fp.model_model |
---|
| 1516 | self._poly_model = fp.poly_model |
---|
| 1517 | self._magnet_model = fp.magnetism_model |
---|
[672b8ab] | 1518 | |
---|
| 1519 | # Resolution tab |
---|
| 1520 | smearing = fp.smearing_options[fp.SMEARING_OPTION] |
---|
| 1521 | accuracy = fp.smearing_options[fp.SMEARING_ACCURACY] |
---|
| 1522 | smearing_min = fp.smearing_options[fp.SMEARING_MIN] |
---|
| 1523 | smearing_max = fp.smearing_options[fp.SMEARING_MAX] |
---|
| 1524 | self.smearing_widget.setState(smearing, accuracy, smearing_min, smearing_max) |
---|
| 1525 | |
---|
| 1526 | # TODO: add polidyspersity and magnetism |
---|
| 1527 | |
---|
| 1528 | def saveToFitPage(self, fp): |
---|
| 1529 | """ |
---|
| 1530 | Write current state to the given fitpage |
---|
| 1531 | """ |
---|
| 1532 | assert isinstance(fp, FitPage) |
---|
| 1533 | |
---|
| 1534 | # Main tab info |
---|
| 1535 | fp.filename = self.logic.data.filename |
---|
| 1536 | fp.data_is_loaded = self.data_is_loaded |
---|
| 1537 | fp.is_polydisperse = self.chkPolydispersity.isChecked() |
---|
| 1538 | fp.is_magnetic = self.chkMagnetism.isChecked() |
---|
| 1539 | fp.is2D = self.chk2DView.isChecked() |
---|
| 1540 | fp.data = self.data |
---|
| 1541 | |
---|
| 1542 | # Use current models - they contain all the required parameters |
---|
| 1543 | fp.model_model = self._model_model |
---|
| 1544 | fp.poly_model = self._poly_model |
---|
| 1545 | fp.magnetism_model = self._magnet_model |
---|
| 1546 | |
---|
| 1547 | if self.cbCategory.currentIndex() != 0: |
---|
| 1548 | fp.current_category = str(self.cbCategory.currentText()) |
---|
| 1549 | fp.current_model = str(self.cbModel.currentText()) |
---|
| 1550 | |
---|
| 1551 | if self.cbStructureFactor.isEnabled() and self.cbStructureFactor.currentIndex() != 0: |
---|
| 1552 | fp.current_factor = str(self.cbStructureFactor.currentText()) |
---|
| 1553 | else: |
---|
| 1554 | fp.current_factor = '' |
---|
| 1555 | |
---|
| 1556 | fp.chi2 = self.chi2 |
---|
| 1557 | fp.parameters_to_fit = self.parameters_to_fit |
---|
[6964d44] | 1558 | fp.kernel_module = self.kernel_module |
---|
[672b8ab] | 1559 | |
---|
[6ff2eb3] | 1560 | # Algorithm options |
---|
| 1561 | # fp.algorithm = self.parent.fit_options.selected_id |
---|
| 1562 | |
---|
[672b8ab] | 1563 | # Options tab |
---|
| 1564 | fp.fit_options[fp.MIN_RANGE] = self.q_range_min |
---|
| 1565 | fp.fit_options[fp.MAX_RANGE] = self.q_range_max |
---|
| 1566 | fp.fit_options[fp.NPTS] = self.npts |
---|
| 1567 | #fp.fit_options[fp.NPTS_FIT] = self.npts_fit |
---|
| 1568 | fp.fit_options[fp.LOG_POINTS] = self.log_points |
---|
| 1569 | fp.fit_options[fp.WEIGHTING] = self.weighting |
---|
| 1570 | |
---|
| 1571 | # Resolution tab |
---|
| 1572 | smearing, accuracy, smearing_min, smearing_max = self.smearing_widget.state() |
---|
| 1573 | fp.smearing_options[fp.SMEARING_OPTION] = smearing |
---|
| 1574 | fp.smearing_options[fp.SMEARING_ACCURACY] = accuracy |
---|
| 1575 | fp.smearing_options[fp.SMEARING_MIN] = smearing_min |
---|
| 1576 | fp.smearing_options[fp.SMEARING_MAX] = smearing_max |
---|
| 1577 | |
---|
| 1578 | # TODO: add polidyspersity and magnetism |
---|
| 1579 | |
---|
[00b3b40] | 1580 | |
---|
| 1581 | def updateUndo(self): |
---|
| 1582 | """ |
---|
| 1583 | Create a new state page and add it to the stack |
---|
| 1584 | """ |
---|
| 1585 | if self.undo_supported: |
---|
| 1586 | self.pushFitPage(self.currentState()) |
---|
| 1587 | |
---|
[672b8ab] | 1588 | def currentState(self): |
---|
| 1589 | """ |
---|
| 1590 | Return fit page with current state |
---|
| 1591 | """ |
---|
| 1592 | new_page = FitPage() |
---|
| 1593 | self.saveToFitPage(new_page) |
---|
| 1594 | |
---|
| 1595 | return new_page |
---|
| 1596 | |
---|
| 1597 | def pushFitPage(self, new_page): |
---|
| 1598 | """ |
---|
| 1599 | Add a new fit page object with current state |
---|
| 1600 | """ |
---|
[6011788] | 1601 | self.page_stack.append(new_page) |
---|
[672b8ab] | 1602 | |
---|
| 1603 | def popFitPage(self): |
---|
| 1604 | """ |
---|
| 1605 | Remove top fit page from stack |
---|
| 1606 | """ |
---|
[6011788] | 1607 | if self.page_stack: |
---|
| 1608 | self.page_stack.pop() |
---|
[672b8ab] | 1609 | |
---|