[60af928] | 1 | import sys |
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| 2 | import json |
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[cd31251] | 3 | import os |
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[5236449] | 4 | import numpy |
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[60af928] | 5 | from collections import defaultdict |
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[454670d] | 6 | from itertools import izip |
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[60af928] | 7 | |
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[5236449] | 8 | import logging |
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| 9 | import traceback |
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[cbcdd2c] | 10 | from twisted.internet import threads |
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[5236449] | 11 | |
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[60af928] | 12 | from PyQt4 import QtGui |
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| 13 | from PyQt4 import QtCore |
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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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[5236449] | 17 | from sasmodels.sasview_model import load_standard_models |
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[f182f93] | 18 | from sas.sascalc.fit.BumpsFitting import BumpsFit as Fit |
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| 19 | from sas.sasgui.perspectives.fitting.fit_thread import FitThread |
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[5236449] | 20 | |
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[60af928] | 21 | from sas.sasgui.guiframe.CategoryInstaller import CategoryInstaller |
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[5236449] | 22 | from sas.sasgui.guiframe.dataFitting import Data1D |
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| 23 | from sas.sasgui.guiframe.dataFitting import Data2D |
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[83eb5208] | 24 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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[5236449] | 25 | from sas.sasgui.perspectives.fitting.model_thread import Calc1D |
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[cbcdd2c] | 26 | from sas.sasgui.perspectives.fitting.model_thread import Calc2D |
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[e1e3e09] | 27 | from sas.sasgui.perspectives.fitting.utils import get_weight |
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[5236449] | 28 | |
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| 29 | from UI.FittingWidgetUI import Ui_FittingWidgetUI |
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[4d457df] | 30 | from sas.qtgui.Perspectives.Fitting.FittingLogic import FittingLogic |
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| 31 | from sas.qtgui.Perspectives.Fitting import FittingUtilities |
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[e1e3e09] | 32 | from SmearingWidget import SmearingWidget |
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[60af928] | 33 | |
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| 34 | TAB_MAGNETISM = 4 |
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| 35 | TAB_POLY = 3 |
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[cbcdd2c] | 36 | CATEGORY_DEFAULT = "Choose category..." |
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[4d457df] | 37 | CATEGORY_STRUCTURE = "Structure Factor" |
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[351b53e] | 38 | STRUCTURE_DEFAULT = "None" |
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[cbcdd2c] | 39 | QMIN_DEFAULT = 0.0005 |
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| 40 | QMAX_DEFAULT = 0.5 |
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| 41 | NPTS_DEFAULT = 50 |
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[60af928] | 42 | |
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| 43 | class FittingWidget(QtGui.QWidget, Ui_FittingWidgetUI): |
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| 44 | """ |
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[f46f6dc] | 45 | Main widget for selecting form and structure factor models |
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[60af928] | 46 | """ |
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[811bec1] | 47 | def __init__(self, parent=None, data=None, id=1): |
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[60af928] | 48 | |
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| 49 | super(FittingWidget, self).__init__() |
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| 50 | |
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[86f88d1] | 51 | # Necessary globals |
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[cbcdd2c] | 52 | self.parent = parent |
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| 53 | # SasModel is loaded |
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[60af928] | 54 | self.model_is_loaded = False |
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[cbcdd2c] | 55 | # Data[12]D passed and set |
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[5236449] | 56 | self.data_is_loaded = False |
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[cbcdd2c] | 57 | # Current SasModel in view |
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[5236449] | 58 | self.kernel_module = None |
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[cbcdd2c] | 59 | # Current SasModel view dimension |
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[60af928] | 60 | self.is2D = False |
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[cbcdd2c] | 61 | # Current SasModel is multishell |
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[86f88d1] | 62 | self.model_has_shells = False |
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[cbcdd2c] | 63 | # Utility variable to enable unselectable option in category combobox |
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[86f88d1] | 64 | self._previous_category_index = 0 |
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[cbcdd2c] | 65 | # Utility variable for multishell display |
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[86f88d1] | 66 | self._last_model_row = 0 |
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[cbcdd2c] | 67 | # Dictionary of {model name: model class} for the current category |
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[5236449] | 68 | self.models = {} |
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[f182f93] | 69 | # Parameters to fit |
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| 70 | self.parameters_to_fit = None |
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[9d266d2] | 71 | # Weight radio box group |
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| 72 | self.weightingGroup = QtGui.QButtonGroup() |
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[5236449] | 73 | |
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| 74 | # Which tab is this widget displayed in? |
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| 75 | self.tab_id = id |
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| 76 | |
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[a9b568c] | 77 | # Which shell is being currently displayed? |
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| 78 | self.current_shell_displayed = 0 |
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[f182f93] | 79 | self.has_error_column = False |
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[a9b568c] | 80 | |
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[811bec1] | 81 | # Range parameters |
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[cbcdd2c] | 82 | self.q_range_min = QMIN_DEFAULT |
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| 83 | self.q_range_max = QMAX_DEFAULT |
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| 84 | self.npts = NPTS_DEFAULT |
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[811bec1] | 85 | |
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[cbcdd2c] | 86 | # Main Data[12]D holder |
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[4d457df] | 87 | self.logic = FittingLogic(data=data) |
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[60af928] | 88 | |
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[86f88d1] | 89 | # Main GUI setup up |
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[60af928] | 90 | self.setupUi(self) |
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| 91 | self.setWindowTitle("Fitting") |
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[cbcdd2c] | 92 | self.communicate = self.parent.communicate |
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[60af928] | 93 | |
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[e1e3e09] | 94 | # Smearing widget |
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| 95 | layout = QtGui.QGridLayout() |
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| 96 | self.smearing_widget = SmearingWidget(self) |
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| 97 | layout.addWidget(self.smearing_widget) |
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| 98 | #self.tabFitting.removeTab(2) |
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| 99 | self.tabFitting.insertTab(2, self.smearing_widget, "Resolution") |
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| 100 | |
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[b1e36a3] | 101 | # Define bold font for use in various controls |
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[a0f5c36] | 102 | self.boldFont=QtGui.QFont() |
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| 103 | self.boldFont.setBold(True) |
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| 104 | |
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| 105 | # Set data label |
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[b1e36a3] | 106 | self.label.setFont(self.boldFont) |
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| 107 | self.label.setText("No data loaded") |
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| 108 | self.lblFilename.setText("") |
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| 109 | |
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[86f88d1] | 110 | # Set the main models |
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[cd31251] | 111 | # We can't use a single model here, due to restrictions on flattening |
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| 112 | # the model tree with subclassed QAbstractProxyModel... |
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[60af928] | 113 | self._model_model = QtGui.QStandardItemModel() |
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| 114 | self._poly_model = QtGui.QStandardItemModel() |
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| 115 | self._magnet_model = QtGui.QStandardItemModel() |
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| 116 | |
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| 117 | # Param model displayed in param list |
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| 118 | self.lstParams.setModel(self._model_model) |
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[5236449] | 119 | self.readCategoryInfo() |
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[60af928] | 120 | self.model_parameters = None |
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[86f88d1] | 121 | self.lstParams.setAlternatingRowColors(True) |
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[60af928] | 122 | |
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| 123 | # Poly model displayed in poly list |
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[811bec1] | 124 | self.lstPoly.setModel(self._poly_model) |
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[60af928] | 125 | self.setPolyModel() |
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| 126 | self.setTableProperties(self.lstPoly) |
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| 127 | |
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| 128 | # Magnetism model displayed in magnetism list |
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| 129 | self.lstMagnetic.setModel(self._magnet_model) |
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| 130 | self.setMagneticModel() |
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| 131 | self.setTableProperties(self.lstMagnetic) |
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| 132 | |
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[5236449] | 133 | # Defaults for the structure factors |
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[6f7f652] | 134 | self.setDefaultStructureCombo() |
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| 135 | |
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[5236449] | 136 | # Make structure factor and model CBs disabled |
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[6f7f652] | 137 | self.disableModelCombo() |
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| 138 | self.disableStructureCombo() |
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[60af928] | 139 | |
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[6f7f652] | 140 | # Generate the category list for display |
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[60af928] | 141 | category_list = sorted(self.master_category_dict.keys()) |
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[86f88d1] | 142 | self.cbCategory.addItem(CATEGORY_DEFAULT) |
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[60af928] | 143 | self.cbCategory.addItems(category_list) |
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[4d457df] | 144 | self.cbCategory.addItem(CATEGORY_STRUCTURE) |
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[6f7f652] | 145 | self.cbCategory.setCurrentIndex(0) |
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[60af928] | 146 | |
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[86f88d1] | 147 | # Connect signals to controls |
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| 148 | self.initializeSignals() |
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[60af928] | 149 | |
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[86f88d1] | 150 | # Initial control state |
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| 151 | self.initializeControls() |
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[60af928] | 152 | |
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[454670d] | 153 | self._index = None |
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| 154 | if data is not None: |
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| 155 | self.data = data |
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| 156 | |
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[60af928] | 157 | @property |
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| 158 | def data(self): |
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[4d457df] | 159 | return self.logic.data |
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[60af928] | 160 | |
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| 161 | @data.setter |
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| 162 | def data(self, value): |
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| 163 | """ data setter """ |
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[454670d] | 164 | assert isinstance(value, QtGui.QStandardItem) |
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[cbcdd2c] | 165 | # _index contains the QIndex with data |
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[454670d] | 166 | self._index = value |
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[b1e36a3] | 167 | |
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[4d457df] | 168 | # Update logics with data items |
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[454670d] | 169 | self.logic.data = GuiUtils.dataFromItem(value) |
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[4d457df] | 170 | |
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[e1e3e09] | 171 | # Overwrite data type descriptor |
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| 172 | self.is2D = True if isinstance(self.logic.data, Data2D) else False |
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| 173 | |
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[5236449] | 174 | self.data_is_loaded = True |
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[e1e3e09] | 175 | |
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| 176 | # Enable/disable UI components |
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| 177 | self.setEnablementOnDataLoad() |
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| 178 | |
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| 179 | def setEnablementOnDataLoad(self): |
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| 180 | """ |
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| 181 | Enable/disable various UI elements based on data loaded |
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| 182 | """ |
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[cbcdd2c] | 183 | # Tag along functionality |
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[b1e36a3] | 184 | self.label.setText("Data loaded from: ") |
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[a0f5c36] | 185 | self.lblFilename.setText(self.logic.data.filename) |
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[5236449] | 186 | self.updateQRange() |
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| 187 | self.cmdFit.setEnabled(True) |
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[6c8fb2c] | 188 | self.boxWeighting.setEnabled(True) |
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| 189 | self.cmdMaskEdit.setEnabled(True) |
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| 190 | # Switch off txtNpts related controls |
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| 191 | self.txtNpts.setEnabled(False) |
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| 192 | self.txtNptsFit.setEnabled(False) |
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| 193 | self.chkLogData.setEnabled(False) |
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[e1e3e09] | 194 | # Switch off Data2D control |
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| 195 | self.chk2DView.setEnabled(False) |
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| 196 | self.chk2DView.setVisible(False) |
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| 197 | self.chkMagnetism.setEnabled(True) |
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| 198 | |
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| 199 | # Weighting and smearing controls |
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| 200 | if self.is2D: |
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| 201 | #self.slit_smearer.Disable() |
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| 202 | #self.pinhole_smearer.Enable(True) |
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| 203 | #self.default_mask = copy.deepcopy(self.data.mask) |
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| 204 | if self.logic.data.err_data is None or\ |
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| 205 | numpy.all(err == 1 for err in self.logic.data.err_data) or \ |
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| 206 | not numpy.any(self.logic.data.err_data): |
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| 207 | self.rbWeighting2.setEnabled(False) |
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| 208 | self.rbWeighting1.setChecked(True) |
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| 209 | else: |
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| 210 | self.rbWeighting2.setEnabled(True) |
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| 211 | self.rbWeighting2.setChecked(True) |
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| 212 | else: |
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| 213 | #self.slit_smearer.Enable(True) |
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| 214 | #self.pinhole_smearer.Enable(True) |
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| 215 | if self.logic.data.dy is None or\ |
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| 216 | numpy.all(self.logic.data.dy == 1) or\ |
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| 217 | not numpy.any(self.logic.data.dy): |
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| 218 | self.rbWeighting2.setEnabled(False) |
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| 219 | self.rbWeighting1.setChecked(True) |
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| 220 | else: |
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| 221 | self.rbWeighting2.setEnabled(True) |
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| 222 | self.rbWeighting2.setChecked(True) |
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| 223 | |
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| 224 | # Smearing tab |
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| 225 | self.smearing_widget.updateSmearing(self.data) |
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[60af928] | 226 | |
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[f46f6dc] | 227 | def acceptsData(self): |
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| 228 | """ Tells the caller this widget can accept new dataset """ |
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[5236449] | 229 | return not self.data_is_loaded |
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[f46f6dc] | 230 | |
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[6f7f652] | 231 | def disableModelCombo(self): |
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[cbcdd2c] | 232 | """ Disable the combobox """ |
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[6f7f652] | 233 | self.cbModel.setEnabled(False) |
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[b1e36a3] | 234 | self.lblModel.setEnabled(False) |
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[6f7f652] | 235 | |
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| 236 | def enableModelCombo(self): |
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[cbcdd2c] | 237 | """ Enable the combobox """ |
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[6f7f652] | 238 | self.cbModel.setEnabled(True) |
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[b1e36a3] | 239 | self.lblModel.setEnabled(True) |
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[6f7f652] | 240 | |
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| 241 | def disableStructureCombo(self): |
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[cbcdd2c] | 242 | """ Disable the combobox """ |
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[6f7f652] | 243 | self.cbStructureFactor.setEnabled(False) |
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[b1e36a3] | 244 | self.lblStructure.setEnabled(False) |
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[6f7f652] | 245 | |
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| 246 | def enableStructureCombo(self): |
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[cbcdd2c] | 247 | """ Enable the combobox """ |
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[6f7f652] | 248 | self.cbStructureFactor.setEnabled(True) |
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[b1e36a3] | 249 | self.lblStructure.setEnabled(True) |
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[6f7f652] | 250 | |
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[0268aed] | 251 | def togglePoly(self, isChecked): |
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[454670d] | 252 | """ Enable/disable the polydispersity tab """ |
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[0268aed] | 253 | self.tabFitting.setTabEnabled(TAB_POLY, isChecked) |
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| 254 | |
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| 255 | def toggleMagnetism(self, isChecked): |
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[454670d] | 256 | """ Enable/disable the magnetism tab """ |
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[0268aed] | 257 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, isChecked) |
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| 258 | |
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| 259 | def toggle2D(self, isChecked): |
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[454670d] | 260 | """ Enable/disable the controls dependent on 1D/2D data instance """ |
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[0268aed] | 261 | self.chkMagnetism.setEnabled(isChecked) |
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| 262 | self.is2D = isChecked |
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[1970780] | 263 | # Reload the current model |
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[e1e3e09] | 264 | if self.kernel_module: |
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| 265 | self.onSelectModel() |
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[5236449] | 266 | |
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[6c8fb2c] | 267 | def toggleLogData(self, isChecked): |
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| 268 | """ Toggles between log and linear data sets """ |
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| 269 | pass |
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| 270 | |
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[86f88d1] | 271 | def initializeControls(self): |
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| 272 | """ |
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| 273 | Set initial control enablement |
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| 274 | """ |
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| 275 | self.cmdFit.setEnabled(False) |
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| 276 | self.cmdPlot.setEnabled(True) |
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[6c8fb2c] | 277 | self.cmdComputePoints.setVisible(False) # probably redundant |
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[86f88d1] | 278 | self.chkPolydispersity.setEnabled(True) |
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| 279 | self.chkPolydispersity.setCheckState(False) |
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| 280 | self.chk2DView.setEnabled(True) |
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| 281 | self.chk2DView.setCheckState(False) |
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| 282 | self.chkMagnetism.setEnabled(False) |
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| 283 | self.chkMagnetism.setCheckState(False) |
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[cbcdd2c] | 284 | # Tabs |
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[86f88d1] | 285 | self.tabFitting.setTabEnabled(TAB_POLY, False) |
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| 286 | self.tabFitting.setTabEnabled(TAB_MAGNETISM, False) |
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| 287 | self.lblChi2Value.setText("---") |
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[9d266d2] | 288 | # Group boxes |
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[6c8fb2c] | 289 | self.boxWeighting.setEnabled(False) |
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| 290 | self.cmdMaskEdit.setEnabled(False) |
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[9d266d2] | 291 | # Button groups |
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| 292 | self.weightingGroup.addButton(self.rbWeighting1) |
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| 293 | self.weightingGroup.addButton(self.rbWeighting2) |
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| 294 | self.weightingGroup.addButton(self.rbWeighting3) |
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| 295 | self.weightingGroup.addButton(self.rbWeighting4) |
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[e1e3e09] | 296 | # Smearing tab |
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| 297 | self.smearing_widget.updateSmearing(self.data) |
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[86f88d1] | 298 | |
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| 299 | def initializeSignals(self): |
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| 300 | """ |
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| 301 | Connect GUI element signals |
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| 302 | """ |
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[cbcdd2c] | 303 | # Comboboxes |
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[cd31251] | 304 | self.cbStructureFactor.currentIndexChanged.connect(self.onSelectStructureFactor) |
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| 305 | self.cbCategory.currentIndexChanged.connect(self.onSelectCategory) |
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| 306 | self.cbModel.currentIndexChanged.connect(self.onSelectModel) |
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[e1e3e09] | 307 | #self.cbSmearing.currentIndexChanged.connect(self.onSelectSmearing) |
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[cbcdd2c] | 308 | # Checkboxes |
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[86f88d1] | 309 | self.chk2DView.toggled.connect(self.toggle2D) |
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| 310 | self.chkPolydispersity.toggled.connect(self.togglePoly) |
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| 311 | self.chkMagnetism.toggled.connect(self.toggleMagnetism) |
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[6c8fb2c] | 312 | self.chkLogData.toggled.connect(self.toggleLogData) |
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[cbcdd2c] | 313 | # Buttons |
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[5236449] | 314 | self.cmdFit.clicked.connect(self.onFit) |
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[cbcdd2c] | 315 | self.cmdPlot.clicked.connect(self.onPlot) |
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[6c8fb2c] | 316 | self.cmdMaskEdit.clicked.connect(self.onMaskEdit) |
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| 317 | self.cmdReset.clicked.connect(self.onReset) |
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[cbcdd2c] | 318 | # Line edits |
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[9f25bce] | 319 | self.txtNpts.editingFinished.connect(self.onNpts) |
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| 320 | self.txtMinRange.editingFinished.connect(self.onMinRange) |
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| 321 | self.txtMaxRange.editingFinished.connect(self.onMaxRange) |
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[e1e3e09] | 322 | #self.txtSmearUp.editingFinished.connect(self.onSmearUp) |
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| 323 | #self.txtSmearDown.editingFinished.connect(self.onSmearDown) |
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[9d266d2] | 324 | # Button groups |
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| 325 | self.weightingGroup.buttonClicked.connect(self.onWeightingChoice) |
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[cbcdd2c] | 326 | |
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| 327 | # Respond to change in parameters from the UI |
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| 328 | self._model_model.itemChanged.connect(self.updateParamsFromModel) |
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[cd31251] | 329 | self._poly_model.itemChanged.connect(self.onPolyModelChange) |
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| 330 | # TODO after the poly_model prototype accepted |
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| 331 | #self._magnet_model.itemChanged.connect(self.onMagneticModelChange) |
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[86f88d1] | 332 | |
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[0268aed] | 333 | def onSelectModel(self): |
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[cbcdd2c] | 334 | """ |
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[0268aed] | 335 | Respond to select Model from list event |
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[cbcdd2c] | 336 | """ |
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[0268aed] | 337 | model = str(self.cbModel.currentText()) |
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| 338 | |
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| 339 | # Reset structure factor |
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| 340 | self.cbStructureFactor.setCurrentIndex(0) |
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| 341 | |
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[f182f93] | 342 | # Reset parameters to fit |
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| 343 | self.parameters_to_fit = None |
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[d7ff531] | 344 | self.has_error_column = False |
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[f182f93] | 345 | |
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[0268aed] | 346 | # SasModel -> QModel |
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| 347 | self.SASModelToQModel(model) |
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| 348 | |
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| 349 | if self.data_is_loaded: |
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| 350 | self.calculateQGridForModel() |
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| 351 | else: |
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| 352 | # Create default datasets if no data passed |
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| 353 | self.createDefaultDataset() |
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| 354 | |
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| 355 | def onSelectStructureFactor(self): |
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| 356 | """ |
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| 357 | Select Structure Factor from list |
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| 358 | """ |
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| 359 | model = str(self.cbModel.currentText()) |
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| 360 | category = str(self.cbCategory.currentText()) |
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| 361 | structure = str(self.cbStructureFactor.currentText()) |
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| 362 | if category == CATEGORY_STRUCTURE: |
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| 363 | model = None |
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| 364 | self.SASModelToQModel(model, structure_factor=structure) |
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[6f7f652] | 365 | |
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[cd31251] | 366 | def onSelectCategory(self): |
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[60af928] | 367 | """ |
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| 368 | Select Category from list |
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| 369 | """ |
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[4d457df] | 370 | category = str(self.cbCategory.currentText()) |
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[86f88d1] | 371 | # Check if the user chose "Choose category entry" |
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[4d457df] | 372 | if category == CATEGORY_DEFAULT: |
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[86f88d1] | 373 | # if the previous category was not the default, keep it. |
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| 374 | # Otherwise, just return |
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| 375 | if self._previous_category_index != 0: |
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[351b53e] | 376 | # We need to block signals, or else state changes on perceived unchanged conditions |
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| 377 | self.cbCategory.blockSignals(True) |
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[86f88d1] | 378 | self.cbCategory.setCurrentIndex(self._previous_category_index) |
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[351b53e] | 379 | self.cbCategory.blockSignals(False) |
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[86f88d1] | 380 | return |
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| 381 | |
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[4d457df] | 382 | if category == CATEGORY_STRUCTURE: |
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[6f7f652] | 383 | self.disableModelCombo() |
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| 384 | self.enableStructureCombo() |
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[29eb947] | 385 | self._model_model.clear() |
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[6f7f652] | 386 | return |
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| 387 | |
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[cbcdd2c] | 388 | # Safely clear and enable the model combo |
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[6f7f652] | 389 | self.cbModel.blockSignals(True) |
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| 390 | self.cbModel.clear() |
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| 391 | self.cbModel.blockSignals(False) |
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| 392 | self.enableModelCombo() |
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| 393 | self.disableStructureCombo() |
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| 394 | |
---|
[86f88d1] | 395 | self._previous_category_index = self.cbCategory.currentIndex() |
---|
[cbcdd2c] | 396 | # Retrieve the list of models |
---|
[4d457df] | 397 | model_list = self.master_category_dict[category] |
---|
[6f7f652] | 398 | models = [] |
---|
[cbcdd2c] | 399 | # Populate the models combobox |
---|
[b1e36a3] | 400 | self.cbModel.addItems(sorted([model for (model, _) in model_list])) |
---|
[4d457df] | 401 | |
---|
[6c8fb2c] | 402 | def onSelectSmearing(self): |
---|
| 403 | """ |
---|
| 404 | Select Smearing type from list |
---|
| 405 | """ |
---|
| 406 | pass |
---|
| 407 | |
---|
| 408 | def onSmearUp(self): |
---|
| 409 | """ |
---|
| 410 | Update state based on entered smear value |
---|
| 411 | """ |
---|
| 412 | pass |
---|
| 413 | |
---|
| 414 | def onSmearDown(self): |
---|
| 415 | """ |
---|
| 416 | Update state based on entered smear value |
---|
| 417 | """ |
---|
| 418 | pass |
---|
| 419 | |
---|
[9d266d2] | 420 | def onWeightingChoice(self, button): |
---|
| 421 | """ |
---|
| 422 | Update weighting in the fit state |
---|
| 423 | """ |
---|
| 424 | button_id = button.group().checkedId() |
---|
| 425 | button_id = abs(button_id + 2) |
---|
[e1e3e09] | 426 | #self.fitPage.weighting = button_id |
---|
[9d266d2] | 427 | print button_id |
---|
| 428 | |
---|
[0268aed] | 429 | def onPolyModelChange(self, item): |
---|
| 430 | """ |
---|
| 431 | Callback method for updating the main model and sasmodel |
---|
| 432 | parameters with the GUI values in the polydispersity view |
---|
| 433 | """ |
---|
| 434 | model_column = item.column() |
---|
| 435 | model_row = item.row() |
---|
| 436 | name_index = self._poly_model.index(model_row, 0) |
---|
| 437 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
---|
| 438 | # Checkbox in column 0 |
---|
| 439 | if model_column == 0: |
---|
| 440 | value = item.checkState() |
---|
| 441 | else: |
---|
| 442 | try: |
---|
| 443 | value = float(item.text()) |
---|
| 444 | except ValueError: |
---|
| 445 | # Can't be converted properly, bring back the old value and exit |
---|
| 446 | return |
---|
| 447 | |
---|
| 448 | parameter_name = str(self._poly_model.data(name_index).toPyObject()) # "distribution of sld" etc. |
---|
| 449 | if "Distribution of" in parameter_name: |
---|
| 450 | parameter_name = parameter_name[16:] |
---|
| 451 | property_name = str(self._poly_model.headerData(model_column, 1).toPyObject()) # Value, min, max, etc. |
---|
| 452 | # print "%s(%s) => %d" % (parameter_name, property_name, value) |
---|
| 453 | |
---|
| 454 | # Update the sasmodel |
---|
| 455 | #self.kernel_module.params[parameter_name] = value |
---|
| 456 | |
---|
| 457 | # Reload the main model - may not be required if no variable is shown in main view |
---|
| 458 | #model = str(self.cbModel.currentText()) |
---|
| 459 | #self.SASModelToQModel(model) |
---|
| 460 | |
---|
| 461 | pass # debug anchor |
---|
| 462 | |
---|
| 463 | def onFit(self): |
---|
| 464 | """ |
---|
| 465 | Perform fitting on the current data |
---|
| 466 | """ |
---|
[f182f93] | 467 | fitter = Fit() |
---|
| 468 | |
---|
| 469 | # Data going in |
---|
| 470 | data = self.logic.data |
---|
| 471 | model = self.kernel_module |
---|
| 472 | qmin = self.q_range_min |
---|
| 473 | qmax = self.q_range_max |
---|
| 474 | params_to_fit = self.parameters_to_fit |
---|
| 475 | |
---|
[9d266d2] | 476 | # Potential weights added |
---|
| 477 | self.addWeightingToData(data) |
---|
| 478 | |
---|
[f182f93] | 479 | # These should be updating somehow? |
---|
| 480 | fit_id = 0 |
---|
| 481 | constraints = [] |
---|
| 482 | smearer = None |
---|
| 483 | page_id = [210] |
---|
| 484 | handler = None |
---|
| 485 | batch_inputs = {} |
---|
| 486 | batch_outputs = {} |
---|
| 487 | list_page_id = [page_id] |
---|
| 488 | #--------------------------------- |
---|
| 489 | |
---|
| 490 | # Parameterize the fitter |
---|
| 491 | fitter.set_model(model, fit_id, params_to_fit, data=data, |
---|
| 492 | constraints=constraints) |
---|
| 493 | fitter.set_data(data=data, id=fit_id, smearer=smearer, qmin=qmin, |
---|
| 494 | qmax=qmax) |
---|
| 495 | fitter.select_problem_for_fit(id=fit_id, value=1) |
---|
| 496 | |
---|
| 497 | fitter.fitter_id = page_id |
---|
| 498 | |
---|
| 499 | # Create the fitting thread, based on the fitter |
---|
| 500 | calc_fit = FitThread(handler=handler, |
---|
| 501 | fn=[fitter], |
---|
| 502 | batch_inputs=batch_inputs, |
---|
| 503 | batch_outputs=batch_outputs, |
---|
| 504 | page_id=list_page_id, |
---|
| 505 | updatefn=self.updateFit, |
---|
| 506 | completefn=None) |
---|
| 507 | |
---|
| 508 | # start the trhrhread |
---|
| 509 | calc_thread = threads.deferToThread(calc_fit.compute) |
---|
| 510 | calc_thread.addCallback(self.fitComplete) |
---|
| 511 | |
---|
| 512 | #disable the Fit button |
---|
[d7ff531] | 513 | self.cmdFit.setText('Calculating...') |
---|
| 514 | self.communicate.statusBarUpdateSignal.emit('Fitting started...') |
---|
[f182f93] | 515 | self.cmdFit.setEnabled(False) |
---|
[0268aed] | 516 | |
---|
[f182f93] | 517 | def updateFit(self): |
---|
| 518 | """ |
---|
| 519 | """ |
---|
| 520 | print "UPDATE FIT" |
---|
[0268aed] | 521 | pass |
---|
| 522 | |
---|
[f182f93] | 523 | def fitComplete(self, result): |
---|
| 524 | """ |
---|
| 525 | Receive and display fitting results |
---|
| 526 | "result" is a tuple of actual result list and the fit time in seconds |
---|
| 527 | """ |
---|
| 528 | #re-enable the Fit button |
---|
| 529 | self.cmdFit.setText("Fit") |
---|
| 530 | self.cmdFit.setEnabled(True) |
---|
[d7ff531] | 531 | |
---|
| 532 | assert result is not None |
---|
| 533 | |
---|
[f182f93] | 534 | res_list = result[0] |
---|
| 535 | res = res_list[0] |
---|
| 536 | if res.fitness is None or \ |
---|
| 537 | not numpy.isfinite(res.fitness) or \ |
---|
| 538 | numpy.any(res.pvec == None) or \ |
---|
| 539 | not numpy.all(numpy.isfinite(res.pvec)): |
---|
| 540 | msg = "Fitting did not converge!!!" |
---|
[454670d] | 541 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
[f182f93] | 542 | logging.error(msg) |
---|
| 543 | return |
---|
| 544 | |
---|
| 545 | elapsed = result[1] |
---|
| 546 | msg = "Fitting completed successfully in: %s s.\n" % GuiUtils.formatNumber(elapsed) |
---|
| 547 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
| 548 | |
---|
| 549 | fitness = res.fitness |
---|
| 550 | param_list = res.param_list |
---|
| 551 | param_values = res.pvec |
---|
| 552 | param_stderr = res.stderr |
---|
| 553 | params_and_errors = zip(param_values, param_stderr) |
---|
| 554 | param_dict = dict(izip(param_list, params_and_errors)) |
---|
| 555 | |
---|
| 556 | # Dictionary of fitted parameter: value, error |
---|
| 557 | # e.g. param_dic = {"sld":(1.703, 0.0034), "length":(33.455, -0.0983)} |
---|
| 558 | self.updateModelFromList(param_dict) |
---|
| 559 | |
---|
[d7ff531] | 560 | # update charts |
---|
| 561 | self.onPlot() |
---|
| 562 | |
---|
[f182f93] | 563 | # Read only value - we can get away by just printing it here |
---|
| 564 | chi2_repr = GuiUtils.formatNumber(fitness, high=True) |
---|
| 565 | self.lblChi2Value.setText(chi2_repr) |
---|
| 566 | |
---|
| 567 | def iterateOverModel(self, func): |
---|
| 568 | """ |
---|
| 569 | Take func and throw it inside the model row loop |
---|
| 570 | """ |
---|
| 571 | #assert isinstance(func, function) |
---|
| 572 | for row_i in xrange(self._model_model.rowCount()): |
---|
| 573 | func(row_i) |
---|
| 574 | |
---|
| 575 | def updateModelFromList(self, param_dict): |
---|
| 576 | """ |
---|
| 577 | Update the model with new parameters, create the errors column |
---|
| 578 | """ |
---|
| 579 | assert isinstance(param_dict, dict) |
---|
| 580 | if not dict: |
---|
| 581 | return |
---|
| 582 | |
---|
[d7ff531] | 583 | def updateFittedValues(row_i): |
---|
[f182f93] | 584 | # Utility function for main model update |
---|
[d7ff531] | 585 | # internal so can use closure for param_dict |
---|
[f182f93] | 586 | param_name = str(self._model_model.item(row_i, 0).text()) |
---|
| 587 | if param_name not in param_dict.keys(): |
---|
| 588 | return |
---|
| 589 | # modify the param value |
---|
[454670d] | 590 | param_repr = GuiUtils.formatNumber(param_dict[param_name][0], high=True) |
---|
| 591 | self._model_model.item(row_i, 1).setText(param_repr) |
---|
[f182f93] | 592 | if self.has_error_column: |
---|
[454670d] | 593 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 594 | self._model_model.item(row_i, 2).setText(error_repr) |
---|
[f182f93] | 595 | |
---|
[d7ff531] | 596 | def createErrorColumn(row_i): |
---|
[f182f93] | 597 | # Utility function for error column update |
---|
| 598 | item = QtGui.QStandardItem() |
---|
| 599 | for param_name in param_dict.keys(): |
---|
| 600 | if str(self._model_model.item(row_i, 0).text()) != param_name: |
---|
| 601 | continue |
---|
| 602 | error_repr = GuiUtils.formatNumber(param_dict[param_name][1], high=True) |
---|
| 603 | item.setText(error_repr) |
---|
| 604 | error_column.append(item) |
---|
| 605 | |
---|
[d7ff531] | 606 | self.iterateOverModel(updateFittedValues) |
---|
[f182f93] | 607 | |
---|
| 608 | if self.has_error_column: |
---|
| 609 | return |
---|
| 610 | |
---|
| 611 | error_column = [] |
---|
[d7ff531] | 612 | self.iterateOverModel(createErrorColumn) |
---|
[f182f93] | 613 | |
---|
[d7ff531] | 614 | # switch off reponse to model change |
---|
| 615 | self._model_model.blockSignals(True) |
---|
[f182f93] | 616 | self._model_model.insertColumn(2, error_column) |
---|
[d7ff531] | 617 | self._model_model.blockSignals(False) |
---|
[f182f93] | 618 | FittingUtilities.addErrorHeadersToModel(self._model_model) |
---|
[d7ff531] | 619 | # Adjust the table cells width. |
---|
| 620 | # TODO: find a way to dynamically adjust column width while resized expanding |
---|
| 621 | self.lstParams.resizeColumnToContents(0) |
---|
| 622 | self.lstParams.resizeColumnToContents(4) |
---|
| 623 | self.lstParams.resizeColumnToContents(5) |
---|
| 624 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 625 | |
---|
| 626 | self.has_error_column = True |
---|
[f182f93] | 627 | |
---|
[0268aed] | 628 | def onPlot(self): |
---|
| 629 | """ |
---|
| 630 | Plot the current set of data |
---|
| 631 | """ |
---|
[9f25bce] | 632 | if self.data is None : |
---|
[0268aed] | 633 | self.createDefaultDataset() |
---|
| 634 | self.calculateQGridForModel() |
---|
| 635 | |
---|
[9f25bce] | 636 | def onNpts(self): |
---|
[0268aed] | 637 | """ |
---|
| 638 | Callback for number of points line edit update |
---|
| 639 | """ |
---|
| 640 | # assumes type/value correctness achieved with QValidator |
---|
| 641 | try: |
---|
[9f25bce] | 642 | self.npts = int(self.txtNpts.text()) |
---|
[0268aed] | 643 | except ValueError: |
---|
| 644 | # TODO |
---|
| 645 | # This will return the old value to model/view and return |
---|
| 646 | # notifying the user about format available. |
---|
| 647 | pass |
---|
[9f25bce] | 648 | # Force redisplay |
---|
| 649 | if self.model_is_loaded: |
---|
| 650 | self.onPlot() |
---|
[0268aed] | 651 | |
---|
[9f25bce] | 652 | def onMinRange(self): |
---|
[0268aed] | 653 | """ |
---|
| 654 | Callback for minimum range of points line edit update |
---|
| 655 | """ |
---|
| 656 | # assumes type/value correctness achieved with QValidator |
---|
| 657 | try: |
---|
[9f25bce] | 658 | self.q_range_min = float(self.txtMinRange.text()) |
---|
[0268aed] | 659 | except ValueError: |
---|
| 660 | # TODO |
---|
| 661 | # This will return the old value to model/view and return |
---|
| 662 | # notifying the user about format available. |
---|
| 663 | return |
---|
| 664 | # set Q range labels on the main tab |
---|
[6c8fb2c] | 665 | #self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
[9f25bce] | 666 | if self.model_is_loaded: |
---|
| 667 | self.onPlot() |
---|
[0268aed] | 668 | |
---|
[9f25bce] | 669 | def onMaxRange(self): |
---|
[0268aed] | 670 | """ |
---|
| 671 | Callback for maximum range of points line edit update |
---|
| 672 | """ |
---|
| 673 | # assumes type/value correctness achieved with QValidator |
---|
| 674 | try: |
---|
[9f25bce] | 675 | self.q_range_max = float(self.txtMaxRange.text()) |
---|
[0268aed] | 676 | except: |
---|
| 677 | pass |
---|
| 678 | # set Q range labels on the main tab |
---|
| 679 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
[9f25bce] | 680 | if self.model_is_loaded: |
---|
| 681 | self.onPlot() |
---|
[0268aed] | 682 | |
---|
[6c8fb2c] | 683 | def onMaskEdit(self): |
---|
| 684 | """ |
---|
| 685 | Callback for running the mask editor |
---|
| 686 | """ |
---|
| 687 | pass |
---|
| 688 | |
---|
| 689 | def onReset(self): |
---|
| 690 | """ |
---|
| 691 | Callback for resetting qmin/qmax |
---|
| 692 | """ |
---|
| 693 | pass |
---|
| 694 | |
---|
[0268aed] | 695 | def setDefaultStructureCombo(self): |
---|
| 696 | """ |
---|
| 697 | Fill in the structure factors combo box with defaults |
---|
| 698 | """ |
---|
| 699 | structure_factor_list = self.master_category_dict.pop(CATEGORY_STRUCTURE) |
---|
| 700 | factors = [factor[0] for factor in structure_factor_list] |
---|
| 701 | factors.insert(0, STRUCTURE_DEFAULT) |
---|
| 702 | self.cbStructureFactor.clear() |
---|
| 703 | self.cbStructureFactor.addItems(sorted(factors)) |
---|
| 704 | |
---|
[4d457df] | 705 | def createDefaultDataset(self): |
---|
| 706 | """ |
---|
| 707 | Generate default Dataset 1D/2D for the given model |
---|
| 708 | """ |
---|
| 709 | # Create default datasets if no data passed |
---|
| 710 | if self.is2D: |
---|
| 711 | qmax = self.q_range_max/numpy.sqrt(2) |
---|
| 712 | qstep = self.npts |
---|
| 713 | self.logic.createDefault2dData(qmax, qstep, self.tab_id) |
---|
| 714 | else: |
---|
| 715 | interval = numpy.linspace(start=self.q_range_min, stop=self.q_range_max, |
---|
| 716 | num=self.npts, endpoint=True) |
---|
| 717 | self.logic.createDefault1dData(interval, self.tab_id) |
---|
[60af928] | 718 | |
---|
[5236449] | 719 | def readCategoryInfo(self): |
---|
[60af928] | 720 | """ |
---|
| 721 | Reads the categories in from file |
---|
| 722 | """ |
---|
| 723 | self.master_category_dict = defaultdict(list) |
---|
| 724 | self.by_model_dict = defaultdict(list) |
---|
| 725 | self.model_enabled_dict = defaultdict(bool) |
---|
| 726 | |
---|
[cbcdd2c] | 727 | categorization_file = CategoryInstaller.get_user_file() |
---|
| 728 | if not os.path.isfile(categorization_file): |
---|
| 729 | categorization_file = CategoryInstaller.get_default_file() |
---|
| 730 | with open(categorization_file, 'rb') as cat_file: |
---|
[60af928] | 731 | self.master_category_dict = json.load(cat_file) |
---|
[5236449] | 732 | self.regenerateModelDict() |
---|
[60af928] | 733 | |
---|
[5236449] | 734 | # Load the model dict |
---|
| 735 | models = load_standard_models() |
---|
| 736 | for model in models: |
---|
| 737 | self.models[model.name] = model |
---|
| 738 | |
---|
| 739 | def regenerateModelDict(self): |
---|
[60af928] | 740 | """ |
---|
[cbcdd2c] | 741 | Regenerates self.by_model_dict which has each model name as the |
---|
[60af928] | 742 | key and the list of categories belonging to that model |
---|
| 743 | along with the enabled mapping |
---|
| 744 | """ |
---|
| 745 | self.by_model_dict = defaultdict(list) |
---|
| 746 | for category in self.master_category_dict: |
---|
| 747 | for (model, enabled) in self.master_category_dict[category]: |
---|
| 748 | self.by_model_dict[model].append(category) |
---|
| 749 | self.model_enabled_dict[model] = enabled |
---|
| 750 | |
---|
[86f88d1] | 751 | def addBackgroundToModel(self, model): |
---|
| 752 | """ |
---|
| 753 | Adds background parameter with default values to the model |
---|
| 754 | """ |
---|
[cbcdd2c] | 755 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 756 | checked_list = ['background', '0.001', '-inf', 'inf', '1/cm'] |
---|
[4d457df] | 757 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[86f88d1] | 758 | |
---|
| 759 | def addScaleToModel(self, model): |
---|
| 760 | """ |
---|
| 761 | Adds scale parameter with default values to the model |
---|
| 762 | """ |
---|
[cbcdd2c] | 763 | assert isinstance(model, QtGui.QStandardItemModel) |
---|
[86f88d1] | 764 | checked_list = ['scale', '1.0', '0.0', 'inf', ''] |
---|
[4d457df] | 765 | FittingUtilities.addCheckedListToModel(model, checked_list) |
---|
[86f88d1] | 766 | |
---|
[9d266d2] | 767 | def addWeightingToData(self, data): |
---|
| 768 | """ |
---|
| 769 | Adds weighting contribution to fitting data |
---|
| 770 | """ |
---|
| 771 | # Check the state of the Weighting radio buttons |
---|
| 772 | button_id = self.weightingGroup.checkedId() |
---|
[e1e3e09] | 773 | # Cast the id to a valid index |
---|
| 774 | button_id = abs(button_id + 2) |
---|
| 775 | if button_id == 0: |
---|
| 776 | # No weight added |
---|
| 777 | return |
---|
| 778 | # Send original data for weighting |
---|
| 779 | weight = get_weight(data=data, is2d=self.is2D, flag=button_id) |
---|
| 780 | if self.is2D: |
---|
| 781 | data.err_data = weight |
---|
| 782 | else: |
---|
| 783 | data.dy = weight |
---|
[9d266d2] | 784 | |
---|
[0268aed] | 785 | def updateQRange(self): |
---|
| 786 | """ |
---|
| 787 | Updates Q Range display |
---|
| 788 | """ |
---|
| 789 | if self.data_is_loaded: |
---|
| 790 | self.q_range_min, self.q_range_max, self.npts = self.logic.computeDataRange() |
---|
| 791 | # set Q range labels on the main tab |
---|
| 792 | self.lblMinRangeDef.setText(str(self.q_range_min)) |
---|
| 793 | self.lblMaxRangeDef.setText(str(self.q_range_max)) |
---|
| 794 | # set Q range labels on the options tab |
---|
| 795 | self.txtMaxRange.setText(str(self.q_range_max)) |
---|
| 796 | self.txtMinRange.setText(str(self.q_range_min)) |
---|
| 797 | self.txtNpts.setText(str(self.npts)) |
---|
[6c8fb2c] | 798 | self.txtNptsFit.setText(str(self.npts)) |
---|
[0268aed] | 799 | |
---|
[4d457df] | 800 | def SASModelToQModel(self, model_name, structure_factor=None): |
---|
[60af928] | 801 | """ |
---|
[cbcdd2c] | 802 | Setting model parameters into table based on selected category |
---|
[60af928] | 803 | """ |
---|
[351b53e] | 804 | # TODO - modify for structure factor-only choice |
---|
| 805 | |
---|
[60af928] | 806 | # Crete/overwrite model items |
---|
| 807 | self._model_model.clear() |
---|
[5236449] | 808 | |
---|
[60af928] | 809 | kernel_module = generate.load_kernel_module(model_name) |
---|
| 810 | self.model_parameters = modelinfo.make_parameter_table(getattr(kernel_module, 'parameters', [])) |
---|
| 811 | |
---|
[cbcdd2c] | 812 | # Instantiate the current sasmodel |
---|
[5236449] | 813 | self.kernel_module = self.models[model_name]() |
---|
| 814 | |
---|
| 815 | # Explicitly add scale and background with default values |
---|
[86f88d1] | 816 | self.addScaleToModel(self._model_model) |
---|
| 817 | self.addBackgroundToModel(self._model_model) |
---|
[60af928] | 818 | |
---|
[5236449] | 819 | # Update the QModel |
---|
[1970780] | 820 | new_rows = FittingUtilities.addParametersToModel(self.model_parameters, self.is2D) |
---|
| 821 | for row in new_rows: |
---|
| 822 | self._model_model.appendRow(row) |
---|
[4d457df] | 823 | # Update the counter used for multishell display |
---|
| 824 | self._last_model_row = self._model_model.rowCount() |
---|
| 825 | |
---|
| 826 | FittingUtilities.addHeadersToModel(self._model_model) |
---|
[cd31251] | 827 | |
---|
| 828 | # Add structure factor |
---|
| 829 | if structure_factor is not None and structure_factor != "None": |
---|
| 830 | structure_module = generate.load_kernel_module(structure_factor) |
---|
| 831 | structure_parameters = modelinfo.make_parameter_table(getattr(structure_module, 'parameters', [])) |
---|
[1970780] | 832 | new_rows = FittingUtilities.addSimpleParametersToModel(structure_parameters, self.is2D) |
---|
| 833 | for row in new_rows: |
---|
| 834 | self._model_model.appendRow(row) |
---|
[4d457df] | 835 | # Update the counter used for multishell display |
---|
| 836 | self._last_model_row = self._model_model.rowCount() |
---|
[cd31251] | 837 | else: |
---|
| 838 | self.addStructureFactor() |
---|
| 839 | |
---|
[5236449] | 840 | # Multishell models need additional treatment |
---|
[86f88d1] | 841 | self.addExtraShells() |
---|
| 842 | |
---|
[5236449] | 843 | # Add polydispersity to the model |
---|
[86f88d1] | 844 | self.setPolyModel() |
---|
[5236449] | 845 | # Add magnetic parameters to the model |
---|
[86f88d1] | 846 | self.setMagneticModel() |
---|
[5236449] | 847 | |
---|
[a9b568c] | 848 | # Adjust the table cells width |
---|
| 849 | self.lstParams.resizeColumnToContents(0) |
---|
| 850 | self.lstParams.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 851 | |
---|
[5236449] | 852 | # Now we claim the model has been loaded |
---|
[86f88d1] | 853 | self.model_is_loaded = True |
---|
| 854 | |
---|
[5236449] | 855 | # Update Q Ranges |
---|
| 856 | self.updateQRange() |
---|
| 857 | |
---|
[cd31251] | 858 | def updateParamsFromModel(self, item): |
---|
| 859 | """ |
---|
| 860 | Callback method for updating the sasmodel parameters with the GUI values |
---|
| 861 | """ |
---|
[cbcdd2c] | 862 | model_column = item.column() |
---|
[cd31251] | 863 | |
---|
| 864 | if model_column == 0: |
---|
[f182f93] | 865 | self.checkboxSelected(item) |
---|
[cd31251] | 866 | return |
---|
| 867 | |
---|
[f182f93] | 868 | model_row = item.row() |
---|
| 869 | name_index = self._model_model.index(model_row, 0) |
---|
| 870 | |
---|
[cd31251] | 871 | # Extract changed value. Assumes proper validation by QValidator/Delegate |
---|
| 872 | value = float(item.text()) |
---|
[cbcdd2c] | 873 | parameter_name = str(self._model_model.data(name_index).toPyObject()) # sld, background etc. |
---|
| 874 | property_name = str(self._model_model.headerData(1, model_column).toPyObject()) # Value, min, max, etc. |
---|
| 875 | |
---|
| 876 | self.kernel_module.params[parameter_name] = value |
---|
| 877 | |
---|
| 878 | # min/max to be changed in self.kernel_module.details[parameter_name] = ['Ang', 0.0, inf] |
---|
| 879 | # magnetic params in self.kernel_module.details['M0:parameter_name'] = value |
---|
| 880 | # multishell params in self.kernel_module.details[??] = value |
---|
| 881 | |
---|
[d7ff531] | 882 | # Force the chart update when actual parameters changed |
---|
| 883 | if model_column == 1: |
---|
| 884 | self.onPlot() |
---|
[7d077d1] | 885 | |
---|
[f182f93] | 886 | def checkboxSelected(self, item): |
---|
| 887 | # Assure we're dealing with checkboxes |
---|
| 888 | if not item.isCheckable(): |
---|
| 889 | return |
---|
| 890 | status = item.checkState() |
---|
| 891 | |
---|
| 892 | def isChecked(row): |
---|
| 893 | return self._model_model.item(row, 0).checkState() == QtCore.Qt.Checked |
---|
| 894 | |
---|
| 895 | def isCheckable(row): |
---|
| 896 | return self._model_model.item(row, 0).isCheckable() |
---|
| 897 | |
---|
| 898 | # If multiple rows selected - toggle all of them, filtering uncheckable |
---|
| 899 | rows = [s.row() for s in self.lstParams.selectionModel().selectedRows() if isCheckable(s.row())] |
---|
| 900 | |
---|
| 901 | # Switch off signaling from the model to avoid recursion |
---|
| 902 | self._model_model.blockSignals(True) |
---|
| 903 | # Convert to proper indices and set requested enablement |
---|
| 904 | items = [self._model_model.item(row, 0).setCheckState(status) for row in rows] |
---|
| 905 | self._model_model.blockSignals(False) |
---|
| 906 | |
---|
| 907 | # update the list of parameters to fit |
---|
| 908 | self.parameters_to_fit = [str(self._model_model.item(row_index, 0).text()) |
---|
| 909 | for row_index in xrange(self._model_model.rowCount()) |
---|
| 910 | if isChecked(row_index)] |
---|
| 911 | |
---|
[6fd4e36] | 912 | def nameForFittedData(self, name): |
---|
[5236449] | 913 | """ |
---|
[6fd4e36] | 914 | Generate name for the current fit |
---|
[5236449] | 915 | """ |
---|
| 916 | if self.is2D: |
---|
| 917 | name += "2d" |
---|
| 918 | name = "M%i [%s]" % (self.tab_id, name) |
---|
[6fd4e36] | 919 | return name |
---|
| 920 | |
---|
| 921 | def createNewIndex(self, fitted_data): |
---|
| 922 | """ |
---|
| 923 | Create a model or theory index with passed Data1D/Data2D |
---|
| 924 | """ |
---|
| 925 | if self.data_is_loaded: |
---|
[0268aed] | 926 | if not fitted_data.name: |
---|
| 927 | name = self.nameForFittedData(self.data.filename) |
---|
| 928 | fitted_data.title = name |
---|
| 929 | fitted_data.name = name |
---|
| 930 | fitted_data.filename = name |
---|
[7d077d1] | 931 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 932 | self.updateModelIndex(fitted_data) |
---|
| 933 | else: |
---|
[0268aed] | 934 | name = self.nameForFittedData(self.kernel_module.name) |
---|
| 935 | fitted_data.title = name |
---|
| 936 | fitted_data.name = name |
---|
| 937 | fitted_data.filename = name |
---|
| 938 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 939 | self.createTheoryIndex(fitted_data) |
---|
| 940 | |
---|
| 941 | def updateModelIndex(self, fitted_data): |
---|
| 942 | """ |
---|
| 943 | Update a QStandardModelIndex containing model data |
---|
| 944 | """ |
---|
[0268aed] | 945 | if fitted_data.name is None: |
---|
| 946 | name = self.nameForFittedData(self.logic.data.filename) |
---|
| 947 | fitted_data.title = name |
---|
| 948 | fitted_data.name = name |
---|
| 949 | else: |
---|
| 950 | name = fitted_data.name |
---|
| 951 | # Make this a line if no other defined |
---|
[7d077d1] | 952 | if hasattr(fitted_data, 'symbol') and fitted_data.symbol is None: |
---|
[0268aed] | 953 | fitted_data.symbol = 'Line' |
---|
[6fd4e36] | 954 | # Notify the GUI manager so it can update the main model in DataExplorer |
---|
| 955 | GuiUtils.updateModelItemWithPlot(self._index, QtCore.QVariant(fitted_data), name) |
---|
| 956 | |
---|
| 957 | def createTheoryIndex(self, fitted_data): |
---|
| 958 | """ |
---|
| 959 | Create a QStandardModelIndex containing model data |
---|
| 960 | """ |
---|
[0268aed] | 961 | if fitted_data.name is None: |
---|
| 962 | name = self.nameForFittedData(self.kernel_module.name) |
---|
| 963 | fitted_data.title = name |
---|
| 964 | fitted_data.name = name |
---|
| 965 | fitted_data.filename = name |
---|
| 966 | else: |
---|
| 967 | name = fitted_data.name |
---|
[6fd4e36] | 968 | # Notify the GUI manager so it can create the theory model in DataExplorer |
---|
| 969 | new_item = GuiUtils.createModelItemWithPlot(QtCore.QVariant(fitted_data), name=name) |
---|
[cbcdd2c] | 970 | self.communicate.updateTheoryFromPerspectiveSignal.emit(new_item) |
---|
[5236449] | 971 | |
---|
[4d457df] | 972 | def methodCalculateForData(self): |
---|
| 973 | '''return the method for data calculation''' |
---|
| 974 | return Calc1D if isinstance(self.data, Data1D) else Calc2D |
---|
| 975 | |
---|
| 976 | def methodCompleteForData(self): |
---|
| 977 | '''return the method for result parsin on calc complete ''' |
---|
| 978 | return self.complete1D if isinstance(self.data, Data1D) else self.complete2D |
---|
| 979 | |
---|
[b1e36a3] | 980 | def calculateQGridForModel(self): |
---|
[86f88d1] | 981 | """ |
---|
| 982 | Prepare the fitting data object, based on current ModelModel |
---|
| 983 | """ |
---|
[4d457df] | 984 | # Awful API to a backend method. |
---|
| 985 | method = self.methodCalculateForData()(data=self.data, |
---|
[cbcdd2c] | 986 | model=self.kernel_module, |
---|
| 987 | page_id=0, |
---|
| 988 | qmin=self.q_range_min, |
---|
| 989 | qmax=self.q_range_max, |
---|
| 990 | smearer=None, |
---|
| 991 | state=None, |
---|
| 992 | weight=None, |
---|
| 993 | fid=None, |
---|
| 994 | toggle_mode_on=False, |
---|
[4d457df] | 995 | completefn=None, |
---|
[cbcdd2c] | 996 | update_chisqr=True, |
---|
[5236449] | 997 | exception_handler=self.calcException, |
---|
[cbcdd2c] | 998 | source=None) |
---|
[4d457df] | 999 | |
---|
| 1000 | calc_thread = threads.deferToThread(method.compute) |
---|
| 1001 | calc_thread.addCallback(self.methodCompleteForData()) |
---|
[5236449] | 1002 | |
---|
[cbcdd2c] | 1003 | def complete1D(self, return_data): |
---|
[5236449] | 1004 | """ |
---|
[4d457df] | 1005 | Plot the current 1D data |
---|
| 1006 | """ |
---|
[7d077d1] | 1007 | fitted_plot = self.logic.new1DPlot(return_data, self.tab_id) |
---|
[0268aed] | 1008 | self.calculateResiduals(fitted_plot) |
---|
[cbcdd2c] | 1009 | |
---|
| 1010 | def complete2D(self, return_data): |
---|
| 1011 | """ |
---|
[4d457df] | 1012 | Plot the current 2D data |
---|
| 1013 | """ |
---|
[6fd4e36] | 1014 | fitted_data = self.logic.new2DPlot(return_data) |
---|
| 1015 | self.calculateResiduals(fitted_data) |
---|
| 1016 | |
---|
| 1017 | def calculateResiduals(self, fitted_data): |
---|
| 1018 | """ |
---|
| 1019 | Calculate and print Chi2 and display chart of residuals |
---|
| 1020 | """ |
---|
| 1021 | # Create a new index for holding data |
---|
[7d077d1] | 1022 | fitted_data.symbol = "Line" |
---|
[6fd4e36] | 1023 | self.createNewIndex(fitted_data) |
---|
| 1024 | # Calculate difference between return_data and logic.data |
---|
| 1025 | chi2 = FittingUtilities.calculateChi2(fitted_data, self.logic.data) |
---|
| 1026 | # Update the control |
---|
[f182f93] | 1027 | chi2_repr = "---" if chi2 is None else GuiUtils.formatNumber(chi2, high=True) |
---|
| 1028 | self.lblChi2Value.setText(chi2_repr) |
---|
[cbcdd2c] | 1029 | |
---|
[0268aed] | 1030 | # Plot residuals if actual data |
---|
| 1031 | if self.data_is_loaded: |
---|
| 1032 | residuals_plot = FittingUtilities.plotResiduals(self.data, fitted_data) |
---|
[7d077d1] | 1033 | residuals_plot.id = "Residual " + residuals_plot.id |
---|
[0268aed] | 1034 | self.createNewIndex(residuals_plot) |
---|
[9f25bce] | 1035 | self.communicate.plotUpdateSignal.emit([residuals_plot]) |
---|
[5236449] | 1036 | |
---|
[7d077d1] | 1037 | self.communicate.plotUpdateSignal.emit([fitted_data]) |
---|
| 1038 | |
---|
[5236449] | 1039 | def calcException(self, etype, value, tb): |
---|
| 1040 | """ |
---|
[b1e36a3] | 1041 | Something horrible happened in the deferred. |
---|
[5236449] | 1042 | """ |
---|
| 1043 | logging.error("".join(traceback.format_exception(etype, value, tb))) |
---|
[60af928] | 1044 | |
---|
| 1045 | def setTableProperties(self, table): |
---|
| 1046 | """ |
---|
| 1047 | Setting table properties |
---|
| 1048 | """ |
---|
| 1049 | # Table properties |
---|
| 1050 | table.verticalHeader().setVisible(False) |
---|
| 1051 | table.setAlternatingRowColors(True) |
---|
| 1052 | table.setSizePolicy(QtGui.QSizePolicy.MinimumExpanding, QtGui.QSizePolicy.Expanding) |
---|
| 1053 | table.setSelectionBehavior(QtGui.QAbstractItemView.SelectRows) |
---|
[f46f6dc] | 1054 | table.resizeColumnsToContents() |
---|
| 1055 | |
---|
[60af928] | 1056 | # Header |
---|
| 1057 | header = table.horizontalHeader() |
---|
[f46f6dc] | 1058 | header.setResizeMode(QtGui.QHeaderView.ResizeToContents) |
---|
| 1059 | |
---|
| 1060 | header.ResizeMode(QtGui.QHeaderView.Interactive) |
---|
[b1e36a3] | 1061 | # Resize column 0 and 6 to content |
---|
[f46f6dc] | 1062 | header.setResizeMode(0, QtGui.QHeaderView.ResizeToContents) |
---|
| 1063 | header.setResizeMode(6, QtGui.QHeaderView.ResizeToContents) |
---|
[60af928] | 1064 | |
---|
| 1065 | def setPolyModel(self): |
---|
| 1066 | """ |
---|
| 1067 | Set polydispersity values |
---|
| 1068 | """ |
---|
[86f88d1] | 1069 | if not self.model_parameters: |
---|
| 1070 | return |
---|
| 1071 | self._poly_model.clear() |
---|
| 1072 | for row, param in enumerate(self.model_parameters.form_volume_parameters): |
---|
| 1073 | # Counters should not be included |
---|
| 1074 | if not param.polydisperse: |
---|
| 1075 | continue |
---|
| 1076 | |
---|
| 1077 | # Potential multishell params |
---|
| 1078 | checked_list = ["Distribution of "+param.name, str(param.default), |
---|
[cbcdd2c] | 1079 | str(param.limits[0]), str(param.limits[1]), |
---|
[86f88d1] | 1080 | "35", "3", ""] |
---|
[4d457df] | 1081 | FittingUtilities.addCheckedListToModel(self._poly_model, checked_list) |
---|
[86f88d1] | 1082 | |
---|
| 1083 | #TODO: Need to find cleaner way to input functions |
---|
| 1084 | func = QtGui.QComboBox() |
---|
[cbcdd2c] | 1085 | func.addItems(['rectangle', 'array', 'lognormal', 'gaussian', 'schulz',]) |
---|
| 1086 | func_index = self.lstPoly.model().index(row, 6) |
---|
| 1087 | self.lstPoly.setIndexWidget(func_index, func) |
---|
[86f88d1] | 1088 | |
---|
[4d457df] | 1089 | FittingUtilities.addPolyHeadersToModel(self._poly_model) |
---|
[60af928] | 1090 | |
---|
| 1091 | def setMagneticModel(self): |
---|
| 1092 | """ |
---|
| 1093 | Set magnetism values on model |
---|
| 1094 | """ |
---|
[86f88d1] | 1095 | if not self.model_parameters: |
---|
| 1096 | return |
---|
| 1097 | self._magnet_model.clear() |
---|
| 1098 | for param in self.model_parameters.call_parameters: |
---|
| 1099 | if param.type != "magnetic": |
---|
| 1100 | continue |
---|
| 1101 | checked_list = [param.name, |
---|
| 1102 | str(param.default), |
---|
| 1103 | str(param.limits[0]), |
---|
| 1104 | str(param.limits[1]), |
---|
| 1105 | param.units] |
---|
[4d457df] | 1106 | FittingUtilities.addCheckedListToModel(self._magnet_model, checked_list) |
---|
[86f88d1] | 1107 | |
---|
[4d457df] | 1108 | FittingUtilities.addHeadersToModel(self._magnet_model) |
---|
[60af928] | 1109 | |
---|
[cd31251] | 1110 | def addStructureFactor(self): |
---|
| 1111 | """ |
---|
| 1112 | Add structure factors to the list of parameters |
---|
| 1113 | """ |
---|
| 1114 | if self.kernel_module.is_form_factor: |
---|
| 1115 | self.enableStructureCombo() |
---|
| 1116 | else: |
---|
| 1117 | self.disableStructureCombo() |
---|
| 1118 | |
---|
[60af928] | 1119 | def addExtraShells(self): |
---|
| 1120 | """ |
---|
[f46f6dc] | 1121 | Add a combobox for multiple shell display |
---|
[60af928] | 1122 | """ |
---|
[4d457df] | 1123 | param_name, param_length = FittingUtilities.getMultiplicity(self.model_parameters) |
---|
[f46f6dc] | 1124 | |
---|
| 1125 | if param_length == 0: |
---|
| 1126 | return |
---|
| 1127 | |
---|
[6f7f652] | 1128 | # cell 1: variable name |
---|
[f46f6dc] | 1129 | item1 = QtGui.QStandardItem(param_name) |
---|
| 1130 | |
---|
[60af928] | 1131 | func = QtGui.QComboBox() |
---|
[b1e36a3] | 1132 | # Available range of shells displayed in the combobox |
---|
| 1133 | func.addItems([str(i) for i in xrange(param_length+1)]) |
---|
[a9b568c] | 1134 | |
---|
[b1e36a3] | 1135 | # Respond to index change |
---|
[86f88d1] | 1136 | func.currentIndexChanged.connect(self.modifyShellsInList) |
---|
[60af928] | 1137 | |
---|
[6f7f652] | 1138 | # cell 2: combobox |
---|
[f46f6dc] | 1139 | item2 = QtGui.QStandardItem() |
---|
| 1140 | self._model_model.appendRow([item1, item2]) |
---|
[60af928] | 1141 | |
---|
[6f7f652] | 1142 | # Beautify the row: span columns 2-4 |
---|
[60af928] | 1143 | shell_row = self._model_model.rowCount() |
---|
[f46f6dc] | 1144 | shell_index = self._model_model.index(shell_row-1, 1) |
---|
[86f88d1] | 1145 | |
---|
[4d457df] | 1146 | self.lstParams.setIndexWidget(shell_index, func) |
---|
[86f88d1] | 1147 | self._last_model_row = self._model_model.rowCount() |
---|
| 1148 | |
---|
[a9b568c] | 1149 | # Set the index to the state-kept value |
---|
| 1150 | func.setCurrentIndex(self.current_shell_displayed |
---|
| 1151 | if self.current_shell_displayed < func.count() else 0) |
---|
| 1152 | |
---|
[86f88d1] | 1153 | def modifyShellsInList(self, index): |
---|
| 1154 | """ |
---|
| 1155 | Add/remove additional multishell parameters |
---|
| 1156 | """ |
---|
| 1157 | # Find row location of the combobox |
---|
| 1158 | last_row = self._last_model_row |
---|
| 1159 | remove_rows = self._model_model.rowCount() - last_row |
---|
| 1160 | |
---|
| 1161 | if remove_rows > 1: |
---|
| 1162 | self._model_model.removeRows(last_row, remove_rows) |
---|
| 1163 | |
---|
[4d457df] | 1164 | FittingUtilities.addShellsToModel(self.model_parameters, self._model_model, index) |
---|
[a9b568c] | 1165 | self.current_shell_displayed = index |
---|
[60af928] | 1166 | |
---|