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