[fa81e94] | 1 | import logging |
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| 2 | import numpy as np |
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| 3 | |
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| 4 | from PyQt5 import QtGui, QtCore, QtWidgets |
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| 5 | |
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| 6 | # sas-global |
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| 7 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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| 8 | |
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| 9 | # pr inversion GUI elements |
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| 10 | from .InversionUtils import WIDGETS |
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| 11 | from .UI.TabbedInversionUI import Ui_PrInversion |
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| 12 | from .InversionLogic import InversionLogic |
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| 13 | |
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| 14 | # pr inversion calculation elements |
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| 15 | from sas.sascalc.pr.invertor import Invertor |
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[effdd98] | 16 | # Batch calculation display |
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| 17 | from sas.qtgui.Utilities.GridPanel import BatchInversionOutputPanel |
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| 18 | |
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[b9e89d5] | 19 | |
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[fa81e94] | 20 | def is_float(value): |
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| 21 | """Converts text input values to floats. Empty strings throw ValueError""" |
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| 22 | try: |
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| 23 | return float(value) |
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| 24 | except ValueError: |
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| 25 | return 0.0 |
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| 26 | |
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[b9e89d5] | 27 | |
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[50bfab0] | 28 | NUMBER_OF_TERMS = 10 |
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| 29 | REGULARIZATION = 0.0001 |
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| 30 | BACKGROUND_INPUT = 0.0 |
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| 31 | MAX_DIST = 140.0 |
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[edd6720] | 32 | DICT_KEYS = ["Calculator", "PrPlot", "DataPlot"] |
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[47bf906] | 33 | |
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[fa81e94] | 34 | |
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[d4881f6a] | 35 | class InversionWindow(QtWidgets.QDialog, Ui_PrInversion): |
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[fa81e94] | 36 | """ |
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| 37 | The main window for the P(r) Inversion perspective. |
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| 38 | """ |
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| 39 | |
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| 40 | name = "Inversion" |
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[f1ec901] | 41 | estimateSignal = QtCore.pyqtSignal(tuple) |
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| 42 | estimateNTSignal = QtCore.pyqtSignal(tuple) |
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| 43 | calculateSignal = QtCore.pyqtSignal(tuple) |
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[fa81e94] | 44 | |
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| 45 | def __init__(self, parent=None, data=None): |
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| 46 | super(InversionWindow, self).__init__() |
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| 47 | self.setupUi(self) |
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| 48 | |
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| 49 | self.setWindowTitle("P(r) Inversion Perspective") |
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| 50 | |
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| 51 | self._manager = parent |
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[b9e89d5] | 52 | self.communicate = parent.communicator() |
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| 53 | self.communicate.dataDeletedSignal.connect(self.removeData) |
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[fa81e94] | 54 | |
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| 55 | self.logic = InversionLogic() |
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| 56 | |
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| 57 | # The window should not close |
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[ae34d30] | 58 | self._allowClose = False |
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[fa81e94] | 59 | |
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[ae34d30] | 60 | # Visible data items |
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[fa81e94] | 61 | # current QStandardItem showing on the panel |
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| 62 | self._data = None |
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[47bf906] | 63 | # Reference to Dmax window for self._data |
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| 64 | self.dmaxWindow = None |
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| 65 | # p(r) calculator for self._data |
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[fa81e94] | 66 | self._calculator = Invertor() |
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[304e42f] | 67 | # Default to background estimate |
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[bb6b037] | 68 | self._calculator.est_bck = True |
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[47bf906] | 69 | # plots of self._data |
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[ae34d30] | 70 | self.prPlot = None |
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| 71 | self.dataPlot = None |
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[e51e078] | 72 | # suggested nTerms |
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| 73 | self.nTermsSuggested = NUMBER_OF_TERMS |
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[47bf906] | 74 | |
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| 75 | # Calculation threads used by all data items |
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[ae34d30] | 76 | self.calcThread = None |
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| 77 | self.estimationThread = None |
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| 78 | self.estimationThreadNT = None |
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[fa81e94] | 79 | |
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[47bf906] | 80 | # Mapping for all data items |
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[ae34d30] | 81 | # Dictionary mapping data to all parameters |
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| 82 | self._dataList = {} |
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[fa81e94] | 83 | if not isinstance(data, list): |
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| 84 | data_list = [data] |
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| 85 | if data is not None: |
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| 86 | for datum in data_list: |
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[e51e078] | 87 | self.updateDataList(datum) |
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[f1ec901] | 88 | |
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[044454d] | 89 | self.dataDeleted = False |
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| 90 | |
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[e51e078] | 91 | self.enableButtons() |
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[8f83719f] | 92 | |
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[fa81e94] | 93 | self.model = QtGui.QStandardItemModel(self) |
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| 94 | self.mapper = QtWidgets.QDataWidgetMapper(self) |
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[8f83719f] | 95 | |
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[ae34d30] | 96 | # Batch fitting parameters |
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| 97 | self.isBatch = False |
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| 98 | self.batchResultsWindow = None |
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[98485fe] | 99 | self.batchResults = {} |
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| 100 | self.batchComplete = [] |
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[effdd98] | 101 | |
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[8f83719f] | 102 | # Add validators |
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| 103 | self.setupValidators() |
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[fa81e94] | 104 | # Link user interactions with methods |
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| 105 | self.setupLinks() |
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| 106 | # Set values |
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| 107 | self.setupModel() |
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| 108 | # Set up the Widget Map |
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| 109 | self.setupMapper() |
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| 110 | # Set base window state |
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| 111 | self.setupWindow() |
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| 112 | |
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| 113 | ###################################################################### |
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| 114 | # Base Perspective Class Definitions |
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| 115 | |
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| 116 | def communicator(self): |
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| 117 | return self.communicate |
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| 118 | |
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| 119 | def allowBatch(self): |
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| 120 | return True |
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| 121 | |
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| 122 | def setClosable(self, value=True): |
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| 123 | """ |
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| 124 | Allow outsiders close this widget |
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| 125 | """ |
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| 126 | assert isinstance(value, bool) |
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[ae34d30] | 127 | self._allowClose = value |
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[fa81e94] | 128 | |
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[917eba5] | 129 | def isClosable(self): |
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| 130 | """ |
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| 131 | Allow outsiders close this widget |
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| 132 | """ |
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| 133 | return self._allowClose |
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| 134 | |
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[fa81e94] | 135 | def closeEvent(self, event): |
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| 136 | """ |
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| 137 | Overwrite QDialog close method to allow for custom widget close |
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| 138 | """ |
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[ae34d30] | 139 | # Close report widgets before closing/minimizing main widget |
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| 140 | self.closeDMax() |
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| 141 | self.closeBatchResults() |
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| 142 | if self._allowClose: |
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[fa81e94] | 143 | # reset the closability flag |
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| 144 | self.setClosable(value=False) |
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[d4881f6a] | 145 | # Tell the MdiArea to close the container |
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| 146 | self.parentWidget().close() |
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[fa81e94] | 147 | event.accept() |
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| 148 | else: |
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| 149 | event.ignore() |
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| 150 | # Maybe we should just minimize |
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| 151 | self.setWindowState(QtCore.Qt.WindowMinimized) |
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| 152 | |
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[ae34d30] | 153 | def closeDMax(self): |
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| 154 | if self.dmaxWindow is not None: |
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| 155 | self.dmaxWindow.close() |
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| 156 | |
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| 157 | def closeBatchResults(self): |
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| 158 | if self.batchResultsWindow is not None: |
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| 159 | self.batchResultsWindow.close() |
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| 160 | |
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[fa81e94] | 161 | ###################################################################### |
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| 162 | # Initialization routines |
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| 163 | |
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| 164 | def setupLinks(self): |
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| 165 | """Connect the use controls to their appropriate methods""" |
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| 166 | self.dataList.currentIndexChanged.connect(self.displayChange) |
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[f1ec901] | 167 | self.calculateAllButton.clicked.connect(self.startThreadAll) |
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| 168 | self.calculateThisButton.clicked.connect(self.startThread) |
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[fa81e94] | 169 | self.removeButton.clicked.connect(self.removeData) |
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| 170 | self.helpButton.clicked.connect(self.help) |
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| 171 | self.estimateBgd.toggled.connect(self.toggleBgd) |
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| 172 | self.manualBgd.toggled.connect(self.toggleBgd) |
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| 173 | self.regConstantSuggestionButton.clicked.connect(self.acceptAlpha) |
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| 174 | self.noOfTermsSuggestionButton.clicked.connect(self.acceptNoTerms) |
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| 175 | self.explorerButton.clicked.connect(self.openExplorerWindow) |
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[f1ec901] | 176 | |
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| 177 | self.backgroundInput.editingFinished.connect( |
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[bb6b037] | 178 | lambda: self.set_background(self.backgroundInput.text())) |
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[f1ec901] | 179 | self.minQInput.editingFinished.connect( |
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[8f83719f] | 180 | lambda: self._calculator.set_qmin(is_float(self.minQInput.text()))) |
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[f1ec901] | 181 | self.regularizationConstantInput.editingFinished.connect( |
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[8f83719f] | 182 | lambda: self._calculator.set_alpha(is_float(self.regularizationConstantInput.text()))) |
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[f1ec901] | 183 | self.maxDistanceInput.editingFinished.connect( |
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[8f83719f] | 184 | lambda: self._calculator.set_dmax(is_float(self.maxDistanceInput.text()))) |
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[f1ec901] | 185 | self.maxQInput.editingFinished.connect( |
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[8f83719f] | 186 | lambda: self._calculator.set_qmax(is_float(self.maxQInput.text()))) |
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[f1ec901] | 187 | self.slitHeightInput.editingFinished.connect( |
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[8f83719f] | 188 | lambda: self._calculator.set_slit_height(is_float(self.slitHeightInput.text()))) |
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[f1ec901] | 189 | self.slitWidthInput.editingFinished.connect( |
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[8f83719f] | 190 | lambda: self._calculator.set_slit_width(is_float(self.slitHeightInput.text()))) |
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[f1ec901] | 191 | |
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[fa81e94] | 192 | self.model.itemChanged.connect(self.model_changed) |
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[f1ec901] | 193 | self.estimateNTSignal.connect(self._estimateNTUpdate) |
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| 194 | self.estimateSignal.connect(self._estimateUpdate) |
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| 195 | self.calculateSignal.connect(self._calculateUpdate) |
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[fa81e94] | 196 | |
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| 197 | def setupMapper(self): |
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| 198 | # Set up the mapper. |
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| 199 | self.mapper.setOrientation(QtCore.Qt.Vertical) |
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| 200 | self.mapper.setModel(self.model) |
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| 201 | |
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| 202 | # Filename |
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| 203 | self.mapper.addMapping(self.dataList, WIDGETS.W_FILENAME) |
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| 204 | # Background |
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| 205 | self.mapper.addMapping(self.backgroundInput, WIDGETS.W_BACKGROUND_INPUT) |
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| 206 | self.mapper.addMapping(self.estimateBgd, WIDGETS.W_ESTIMATE) |
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| 207 | self.mapper.addMapping(self.manualBgd, WIDGETS.W_MANUAL_INPUT) |
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| 208 | |
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| 209 | # Qmin/Qmax |
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| 210 | self.mapper.addMapping(self.minQInput, WIDGETS.W_QMIN) |
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| 211 | self.mapper.addMapping(self.maxQInput, WIDGETS.W_QMAX) |
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| 212 | |
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| 213 | # Slit Parameter items |
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| 214 | self.mapper.addMapping(self.slitWidthInput, WIDGETS.W_SLIT_WIDTH) |
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| 215 | self.mapper.addMapping(self.slitHeightInput, WIDGETS.W_SLIT_HEIGHT) |
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| 216 | |
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| 217 | # Parameter Items |
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[8f83719f] | 218 | self.mapper.addMapping(self.regularizationConstantInput, WIDGETS.W_REGULARIZATION) |
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| 219 | self.mapper.addMapping(self.regConstantSuggestionButton, WIDGETS.W_REGULARIZATION_SUGGEST) |
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[fa81e94] | 220 | self.mapper.addMapping(self.explorerButton, WIDGETS.W_EXPLORE) |
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| 221 | self.mapper.addMapping(self.maxDistanceInput, WIDGETS.W_MAX_DIST) |
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| 222 | self.mapper.addMapping(self.noOfTermsInput, WIDGETS.W_NO_TERMS) |
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[8f83719f] | 223 | self.mapper.addMapping(self.noOfTermsSuggestionButton, WIDGETS.W_NO_TERMS_SUGGEST) |
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[fa81e94] | 224 | |
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| 225 | # Output |
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| 226 | self.mapper.addMapping(self.rgValue, WIDGETS.W_RG) |
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| 227 | self.mapper.addMapping(self.iQ0Value, WIDGETS.W_I_ZERO) |
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| 228 | self.mapper.addMapping(self.backgroundValue, WIDGETS.W_BACKGROUND_OUTPUT) |
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| 229 | self.mapper.addMapping(self.computationTimeValue, WIDGETS.W_COMP_TIME) |
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| 230 | self.mapper.addMapping(self.chiDofValue, WIDGETS.W_CHI_SQUARED) |
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| 231 | self.mapper.addMapping(self.oscillationValue, WIDGETS.W_OSCILLATION) |
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| 232 | self.mapper.addMapping(self.posFractionValue, WIDGETS.W_POS_FRACTION) |
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[8f83719f] | 233 | self.mapper.addMapping(self.sigmaPosFractionValue, WIDGETS.W_SIGMA_POS_FRACTION) |
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[fa81e94] | 234 | |
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| 235 | # Main Buttons |
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| 236 | self.mapper.addMapping(self.removeButton, WIDGETS.W_REMOVE) |
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[f1ec901] | 237 | self.mapper.addMapping(self.calculateAllButton, WIDGETS.W_CALCULATE_ALL) |
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[8f83719f] | 238 | self.mapper.addMapping(self.calculateThisButton, WIDGETS.W_CALCULATE_VISIBLE) |
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[fa81e94] | 239 | self.mapper.addMapping(self.helpButton, WIDGETS.W_HELP) |
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| 240 | |
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| 241 | self.mapper.toFirst() |
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| 242 | |
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| 243 | def setupModel(self): |
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| 244 | """ |
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| 245 | Update boxes with initial values |
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| 246 | """ |
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[ae34d30] | 247 | blank_item = QtGui.QStandardItem("") |
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| 248 | no_terms_item = QtGui.QStandardItem(str(NUMBER_OF_TERMS)) |
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| 249 | bgd_item = QtGui.QStandardItem(str(BACKGROUND_INPUT)) |
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| 250 | reg_item = QtGui.QStandardItem(str(REGULARIZATION)) |
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| 251 | max_dist_item = QtGui.QStandardItem(str(MAX_DIST)) |
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| 252 | self.model.setItem(WIDGETS.W_BACKGROUND_INPUT, bgd_item) |
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| 253 | self.model.setItem(WIDGETS.W_QMIN, blank_item) |
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| 254 | self.model.setItem(WIDGETS.W_QMAX, blank_item) |
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| 255 | self.model.setItem(WIDGETS.W_SLIT_WIDTH, blank_item) |
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| 256 | self.model.setItem(WIDGETS.W_SLIT_HEIGHT, blank_item) |
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| 257 | self.model.setItem(WIDGETS.W_NO_TERMS, no_terms_item) |
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| 258 | self.model.setItem(WIDGETS.W_REGULARIZATION, reg_item) |
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| 259 | self.model.setItem(WIDGETS.W_MAX_DIST, max_dist_item) |
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| 260 | self.model.setItem(WIDGETS.W_RG, blank_item) |
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| 261 | self.model.setItem(WIDGETS.W_I_ZERO, blank_item) |
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| 262 | self.model.setItem(WIDGETS.W_BACKGROUND_OUTPUT, bgd_item) |
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| 263 | self.model.setItem(WIDGETS.W_COMP_TIME, blank_item) |
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| 264 | self.model.setItem(WIDGETS.W_CHI_SQUARED, blank_item) |
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| 265 | self.model.setItem(WIDGETS.W_OSCILLATION, blank_item) |
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| 266 | self.model.setItem(WIDGETS.W_POS_FRACTION, blank_item) |
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| 267 | self.model.setItem(WIDGETS.W_SIGMA_POS_FRACTION, blank_item) |
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[fa81e94] | 268 | |
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| 269 | def setupWindow(self): |
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| 270 | """Initialize base window state on init""" |
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| 271 | self.enableButtons() |
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| 272 | self.estimateBgd.setChecked(True) |
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| 273 | |
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[8f83719f] | 274 | def setupValidators(self): |
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| 275 | """Apply validators to editable line edits""" |
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| 276 | self.noOfTermsInput.setValidator(QtGui.QIntValidator()) |
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| 277 | self.regularizationConstantInput.setValidator(GuiUtils.DoubleValidator()) |
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| 278 | self.maxDistanceInput.setValidator(GuiUtils.DoubleValidator()) |
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| 279 | self.minQInput.setValidator(GuiUtils.DoubleValidator()) |
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| 280 | self.maxQInput.setValidator(GuiUtils.DoubleValidator()) |
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| 281 | self.slitHeightInput.setValidator(GuiUtils.DoubleValidator()) |
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| 282 | self.slitWidthInput.setValidator(GuiUtils.DoubleValidator()) |
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| 283 | |
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[fa81e94] | 284 | ###################################################################### |
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| 285 | # Methods for updating GUI |
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| 286 | |
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| 287 | def enableButtons(self): |
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| 288 | """ |
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| 289 | Enable buttons when data is present, else disable them |
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| 290 | """ |
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[ae34d30] | 291 | self.calculateAllButton.setEnabled(len(self._dataList) > 1 |
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| 292 | and not self.isBatch) |
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| 293 | self.calculateThisButton.setEnabled(self.logic.data_is_loaded |
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| 294 | and not self.isBatch) |
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[fa81e94] | 295 | self.removeButton.setEnabled(self.logic.data_is_loaded) |
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| 296 | self.explorerButton.setEnabled(self.logic.data_is_loaded) |
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[b685c7b] | 297 | self.regConstantSuggestionButton.setEnabled( |
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| 298 | self._calculator.suggested_alpha != self._calculator.alpha) |
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| 299 | self.noOfTermsSuggestionButton.setEnabled( |
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| 300 | self._calculator.nfunc != self.nTermsSuggested) |
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[fa81e94] | 301 | |
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| 302 | def populateDataComboBox(self, filename, data_ref): |
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| 303 | """ |
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| 304 | Append a new file name to the data combobox |
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| 305 | :param filename: data filename |
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| 306 | :param data_ref: QStandardItem reference for data set to be added |
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| 307 | """ |
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[6a3e1fe] | 308 | self.dataList.addItem(filename, data_ref) |
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[fa81e94] | 309 | |
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| 310 | def acceptNoTerms(self): |
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| 311 | """Send estimated no of terms to input""" |
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| 312 | self.model.setItem(WIDGETS.W_NO_TERMS, QtGui.QStandardItem( |
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| 313 | self.noOfTermsSuggestionButton.text())) |
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| 314 | |
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| 315 | def acceptAlpha(self): |
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| 316 | """Send estimated alpha to input""" |
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| 317 | self.model.setItem(WIDGETS.W_REGULARIZATION, QtGui.QStandardItem( |
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| 318 | self.regConstantSuggestionButton.text())) |
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| 319 | |
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[edd6720] | 320 | def displayChange(self, data_index=0): |
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[47bf906] | 321 | """Switch to another item in the data list""" |
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[044454d] | 322 | if self.dataDeleted: |
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| 323 | return |
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[edd6720] | 324 | self.updateDataList(self._data) |
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| 325 | self.setCurrentData(self.dataList.itemData(data_index)) |
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[fa81e94] | 326 | |
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| 327 | ###################################################################### |
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| 328 | # GUI Interaction Events |
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| 329 | |
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[ae34d30] | 330 | def updateCalculator(self): |
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[fa81e94] | 331 | """Update all p(r) params""" |
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[edd6720] | 332 | self._calculator.set_x(self.logic.data.x) |
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| 333 | self._calculator.set_y(self.logic.data.y) |
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| 334 | self._calculator.set_err(self.logic.data.dy) |
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[441a03f] | 335 | self.set_background(self.backgroundInput.text()) |
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| 336 | |
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| 337 | def set_background(self, value): |
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| 338 | self._calculator.background = is_float(value) |
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[fa81e94] | 339 | |
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| 340 | def model_changed(self): |
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| 341 | """Update the values when user makes changes""" |
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| 342 | if not self.mapper: |
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| 343 | msg = "Unable to update P{r}. The connection between the main GUI " |
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| 344 | msg += "and P(r) was severed. Attempting to restart P(r)." |
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| 345 | logging.warning(msg) |
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| 346 | self.setClosable(True) |
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| 347 | self.close() |
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[ae34d30] | 348 | InversionWindow.__init__(self.parent(), list(self._dataList.keys())) |
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[fa81e94] | 349 | exit(0) |
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[8f83719f] | 350 | if self.dmaxWindow is not None: |
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[47bf906] | 351 | self.dmaxWindow.nfunc = self.getNFunc() |
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[bb6b037] | 352 | self.dmaxWindow.pr_state = self._calculator |
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[edd6720] | 353 | self.mapper.toLast() |
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[fa81e94] | 354 | |
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| 355 | def help(self): |
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| 356 | """ |
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| 357 | Open the P(r) Inversion help browser |
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| 358 | """ |
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[e90988c] | 359 | tree_location = "/user/sasgui/perspectives/pr/pr_help.html" |
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[fa81e94] | 360 | |
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| 361 | # Actual file anchor will depend on the combo box index |
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| 362 | # Note that we can be clusmy here, since bad current_fitter_id |
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| 363 | # will just make the page displayed from the top |
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[e90988c] | 364 | self._manager.showHelp(tree_location) |
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[fa81e94] | 365 | |
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| 366 | def toggleBgd(self): |
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| 367 | """ |
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| 368 | Toggle the background between manual and estimated |
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| 369 | """ |
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[edd6720] | 370 | if self.estimateBgd.isChecked(): |
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| 371 | self.manualBgd.setChecked(False) |
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[fa81e94] | 372 | self.backgroundInput.setEnabled(False) |
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[304e42f] | 373 | self._calculator.set_est_bck = True |
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[edd6720] | 374 | elif self.manualBgd.isChecked(): |
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| 375 | self.estimateBgd.setChecked(False) |
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[fa81e94] | 376 | self.backgroundInput.setEnabled(True) |
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[304e42f] | 377 | self._calculator.set_est_bck = False |
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[441a03f] | 378 | else: |
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| 379 | pass |
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[fa81e94] | 380 | |
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| 381 | def openExplorerWindow(self): |
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| 382 | """ |
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| 383 | Open the Explorer window to see correlations between params and results |
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| 384 | """ |
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| 385 | from .DMaxExplorerWidget import DmaxWindow |
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| 386 | self.dmaxWindow = DmaxWindow(self._calculator, self.getNFunc(), self) |
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| 387 | self.dmaxWindow.show() |
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| 388 | |
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[98485fe] | 389 | def showBatchOutput(self): |
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[76567bb] | 390 | """ |
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| 391 | Display the batch output in tabular form |
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| 392 | :param output_data: Dictionary mapping filename -> P(r) instance |
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| 393 | """ |
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[ae34d30] | 394 | if self.batchResultsWindow is None: |
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| 395 | self.batchResultsWindow = BatchInversionOutputPanel( |
---|
[98485fe] | 396 | parent=self, output_data=self.batchResults) |
---|
[76567bb] | 397 | else: |
---|
[ae34d30] | 398 | self.batchResultsWindow.setupTable(self.batchResults) |
---|
| 399 | self.batchResultsWindow.show() |
---|
[effdd98] | 400 | |
---|
[fa81e94] | 401 | ###################################################################### |
---|
| 402 | # Response Actions |
---|
| 403 | |
---|
| 404 | def setData(self, data_item=None, is_batch=False): |
---|
| 405 | """ |
---|
| 406 | Assign new data set(s) to the P(r) perspective |
---|
| 407 | Obtain a QStandardItem object and parse it to get Data1D/2D |
---|
| 408 | Pass it over to the calculator |
---|
| 409 | """ |
---|
| 410 | assert data_item is not None |
---|
| 411 | |
---|
| 412 | if not isinstance(data_item, list): |
---|
| 413 | msg = "Incorrect type passed to the P(r) Perspective" |
---|
[47bf906] | 414 | raise AttributeError(msg) |
---|
[fa81e94] | 415 | |
---|
| 416 | for data in data_item: |
---|
[ae34d30] | 417 | if data in self._dataList.keys(): |
---|
[8f83719f] | 418 | # Don't add data if it's already in |
---|
[edd6720] | 419 | continue |
---|
[fa81e94] | 420 | # Create initial internal mappings |
---|
[edd6720] | 421 | self.logic.data = GuiUtils.dataFromItem(data) |
---|
[e51e078] | 422 | # Estimate q range |
---|
| 423 | qmin, qmax = self.logic.computeDataRange() |
---|
| 424 | self._calculator.set_qmin(qmin) |
---|
| 425 | self._calculator.set_qmax(qmax) |
---|
| 426 | self.updateDataList(data) |
---|
[edd6720] | 427 | self.populateDataComboBox(self.logic.data.filename, data) |
---|
| 428 | self.dataList.setCurrentIndex(len(self.dataList) - 1) |
---|
| 429 | self.setCurrentData(data) |
---|
[fa81e94] | 430 | |
---|
[47bf906] | 431 | def updateDataList(self, dataRef): |
---|
| 432 | """Save the current data state of the window into self._data_list""" |
---|
[e51e078] | 433 | if dataRef is None: |
---|
| 434 | return |
---|
[ae34d30] | 435 | self._dataList[dataRef] = { |
---|
[e51e078] | 436 | DICT_KEYS[0]: self._calculator, |
---|
[ae34d30] | 437 | DICT_KEYS[1]: self.prPlot, |
---|
| 438 | DICT_KEYS[2]: self.dataPlot |
---|
[47bf906] | 439 | } |
---|
[98485fe] | 440 | # Update batch results window when finished |
---|
| 441 | self.batchResults[self.logic.data.filename] = self._calculator |
---|
[ae34d30] | 442 | if self.batchResultsWindow is not None: |
---|
[98485fe] | 443 | self.showBatchOutput() |
---|
[47bf906] | 444 | |
---|
[fa81e94] | 445 | def getNFunc(self): |
---|
| 446 | """Get the n_func value from the GUI object""" |
---|
[50bfab0] | 447 | try: |
---|
| 448 | nfunc = int(self.noOfTermsInput.text()) |
---|
| 449 | except ValueError: |
---|
[edd6720] | 450 | logging.error("Incorrect number of terms specified: %s" |
---|
| 451 | %self.noOfTermsInput.text()) |
---|
[50bfab0] | 452 | self.noOfTermsInput.setText(str(NUMBER_OF_TERMS)) |
---|
| 453 | nfunc = NUMBER_OF_TERMS |
---|
| 454 | return nfunc |
---|
[fa81e94] | 455 | |
---|
| 456 | def setCurrentData(self, data_ref): |
---|
[47bf906] | 457 | """Get the data by reference and display as necessary""" |
---|
[304e42f] | 458 | if data_ref is None: |
---|
| 459 | return |
---|
[fa81e94] | 460 | if not isinstance(data_ref, QtGui.QStandardItem): |
---|
| 461 | msg = "Incorrect type passed to the P(r) Perspective" |
---|
[e51e078] | 462 | raise AttributeError(msg) |
---|
[fa81e94] | 463 | # Data references |
---|
| 464 | self._data = data_ref |
---|
[edd6720] | 465 | self.logic.data = GuiUtils.dataFromItem(data_ref) |
---|
[ae34d30] | 466 | self._calculator = self._dataList[data_ref].get(DICT_KEYS[0]) |
---|
| 467 | self.prPlot = self._dataList[data_ref].get(DICT_KEYS[1]) |
---|
| 468 | self.dataPlot = self._dataList[data_ref].get(DICT_KEYS[2]) |
---|
[edd6720] | 469 | self.performEstimate() |
---|
[e51e078] | 470 | |
---|
| 471 | def updateGuiValues(self): |
---|
| 472 | pr = self._calculator |
---|
| 473 | out = self._calculator.out |
---|
| 474 | cov = self._calculator.cov |
---|
| 475 | elapsed = self._calculator.elapsed |
---|
| 476 | alpha = self._calculator.suggested_alpha |
---|
| 477 | self.model.setItem(WIDGETS.W_QMIN, |
---|
| 478 | QtGui.QStandardItem("{:.4g}".format(pr.get_qmin()))) |
---|
| 479 | self.model.setItem(WIDGETS.W_QMAX, |
---|
| 480 | QtGui.QStandardItem("{:.4g}".format(pr.get_qmax()))) |
---|
| 481 | self.model.setItem(WIDGETS.W_BACKGROUND_INPUT, |
---|
[effdd98] | 482 | QtGui.QStandardItem("{:.3g}".format(pr.background))) |
---|
[e51e078] | 483 | self.model.setItem(WIDGETS.W_BACKGROUND_OUTPUT, |
---|
| 484 | QtGui.QStandardItem("{:.3g}".format(pr.background))) |
---|
| 485 | self.model.setItem(WIDGETS.W_COMP_TIME, |
---|
| 486 | QtGui.QStandardItem("{:.4g}".format(elapsed))) |
---|
[ae34d30] | 487 | self.model.setItem(WIDGETS.W_MAX_DIST, |
---|
| 488 | QtGui.QStandardItem("{:.4g}".format(pr.get_dmax()))) |
---|
[b685c7b] | 489 | self.regConstantSuggestionButton.setText("{:-3.2g}".format(alpha)) |
---|
| 490 | self.noOfTermsSuggestionButton.setText( |
---|
| 491 | "{:n}".format(self.nTermsSuggested)) |
---|
[e51e078] | 492 | |
---|
[304e42f] | 493 | if isinstance(pr.chi2, np.ndarray): |
---|
[e51e078] | 494 | self.model.setItem(WIDGETS.W_CHI_SQUARED, |
---|
| 495 | QtGui.QStandardItem("{:.3g}".format(pr.chi2[0]))) |
---|
| 496 | if out is not None: |
---|
| 497 | self.model.setItem(WIDGETS.W_RG, |
---|
| 498 | QtGui.QStandardItem("{:.3g}".format(pr.rg(out)))) |
---|
| 499 | self.model.setItem(WIDGETS.W_I_ZERO, |
---|
| 500 | QtGui.QStandardItem( |
---|
| 501 | "{:.3g}".format(pr.iq0(out)))) |
---|
| 502 | self.model.setItem(WIDGETS.W_OSCILLATION, QtGui.QStandardItem( |
---|
| 503 | "{:.3g}".format(pr.oscillations(out)))) |
---|
| 504 | self.model.setItem(WIDGETS.W_POS_FRACTION, QtGui.QStandardItem( |
---|
| 505 | "{:.3g}".format(pr.get_positive(out)))) |
---|
| 506 | if cov is not None: |
---|
| 507 | self.model.setItem(WIDGETS.W_SIGMA_POS_FRACTION, |
---|
| 508 | QtGui.QStandardItem( |
---|
| 509 | "{:.3g}".format( |
---|
| 510 | pr.get_pos_err(out, cov)))) |
---|
[ae34d30] | 511 | if self.prPlot is not None: |
---|
| 512 | title = self.prPlot.name |
---|
| 513 | GuiUtils.updateModelItemWithPlot(self._data, self.prPlot, title) |
---|
| 514 | self.communicate.plotRequestedSignal.emit([self.prPlot]) |
---|
| 515 | if self.dataPlot is not None: |
---|
| 516 | title = self.dataPlot.name |
---|
| 517 | GuiUtils.updateModelItemWithPlot(self._data, self.dataPlot, title) |
---|
[044454d] | 518 | self.communicate.plotRequestedSignal.emit([self.dataPlot]) |
---|
[b685c7b] | 519 | self.enableButtons() |
---|
[47bf906] | 520 | |
---|
[b9e89d5] | 521 | def removeData(self, data_list=None): |
---|
[47bf906] | 522 | """Remove the existing data reference from the P(r) Persepective""" |
---|
[044454d] | 523 | self.dataDeleted = True |
---|
[b9e89d5] | 524 | if not data_list: |
---|
| 525 | data_list = [self._data] |
---|
[ae34d30] | 526 | self.closeDMax() |
---|
[b9e89d5] | 527 | for data in data_list: |
---|
[ae34d30] | 528 | self._dataList.pop(data) |
---|
[76567bb] | 529 | self._data = None |
---|
[044454d] | 530 | length = len(self.dataList) |
---|
| 531 | for index in reversed(range(length)): |
---|
[b9e89d5] | 532 | if self.dataList.itemData(index) in data_list: |
---|
| 533 | self.dataList.removeItem(index) |
---|
[e51e078] | 534 | # Last file removed |
---|
[044454d] | 535 | self.dataDeleted = False |
---|
[ae34d30] | 536 | if len(self._dataList) == 0: |
---|
| 537 | self.prPlot = None |
---|
| 538 | self.dataPlot = None |
---|
[edd6720] | 539 | self.logic.data = None |
---|
[ae34d30] | 540 | self._calculator = Invertor() |
---|
| 541 | self.closeBatchResults() |
---|
[b685c7b] | 542 | self.nTermsSuggested = NUMBER_OF_TERMS |
---|
| 543 | self.noOfTermsSuggestionButton.setText("{:n}".format( |
---|
| 544 | self.nTermsSuggested)) |
---|
| 545 | self.regConstantSuggestionButton.setText("{:-3.2g}".format( |
---|
| 546 | REGULARIZATION)) |
---|
[edd6720] | 547 | self.updateGuiValues() |
---|
[b685c7b] | 548 | self.setupModel() |
---|
[ba4e3ba] | 549 | else: |
---|
| 550 | self.dataList.setCurrentIndex(0) |
---|
| 551 | self.updateGuiValues() |
---|
[fa81e94] | 552 | |
---|
| 553 | ###################################################################### |
---|
| 554 | # Thread Creators |
---|
[98485fe] | 555 | |
---|
[fa81e94] | 556 | def startThreadAll(self): |
---|
[ae34d30] | 557 | self.calculateAllButton.setText("Calculating...") |
---|
[98485fe] | 558 | self.batchComplete = [] |
---|
| 559 | self.isBatch = True |
---|
| 560 | self.performEstimate() |
---|
| 561 | |
---|
| 562 | def startNextBatchItem(self): |
---|
| 563 | self.isBatch = False |
---|
[ae34d30] | 564 | for index in range(len(self._dataList)): |
---|
[98485fe] | 565 | if index not in self.batchComplete: |
---|
| 566 | self.dataList.setCurrentIndex(index) |
---|
| 567 | self.isBatch = True |
---|
| 568 | break |
---|
| 569 | if self.isBatch: |
---|
[76567bb] | 570 | self.performEstimate() |
---|
[ae34d30] | 571 | else: |
---|
| 572 | # If no data sets left, end batch calculation |
---|
| 573 | self.calculateAllButton.setText("Calculate All") |
---|
[5a5e371] | 574 | self.showBatchOutput() |
---|
[ae34d30] | 575 | self.enableButtons() |
---|
[fa81e94] | 576 | |
---|
| 577 | def startThread(self): |
---|
| 578 | """ |
---|
| 579 | Start a calculation thread |
---|
| 580 | """ |
---|
| 581 | from .Thread import CalcPr |
---|
| 582 | |
---|
| 583 | # Set data before running the calculations |
---|
[ae34d30] | 584 | self.updateCalculator() |
---|
[fa81e94] | 585 | |
---|
| 586 | # If a thread is already started, stop it |
---|
[ae34d30] | 587 | if self.calcThread is not None and self.calcThread.isrunning(): |
---|
| 588 | self.calcThread.stop() |
---|
[fa81e94] | 589 | pr = self._calculator.clone() |
---|
| 590 | nfunc = self.getNFunc() |
---|
[ae34d30] | 591 | self.calcThread = CalcPr(pr, nfunc, |
---|
| 592 | error_func=self._threadError, |
---|
| 593 | completefn=self._calculateCompleted, |
---|
| 594 | updatefn=None) |
---|
| 595 | self.calcThread.queue() |
---|
| 596 | self.calcThread.ready(2.5) |
---|
[fa81e94] | 597 | |
---|
| 598 | def performEstimateNT(self): |
---|
| 599 | """ |
---|
[f1ec901] | 600 | Perform parameter estimation |
---|
[fa81e94] | 601 | """ |
---|
| 602 | from .Thread import EstimateNT |
---|
| 603 | |
---|
[ae34d30] | 604 | self.updateCalculator() |
---|
[edd6720] | 605 | |
---|
[fa81e94] | 606 | # If a thread is already started, stop it |
---|
[ae34d30] | 607 | if (self.estimationThreadNT is not None and |
---|
| 608 | self.estimationThreadNT.isrunning()): |
---|
| 609 | self.estimationThreadNT.stop() |
---|
[fa81e94] | 610 | pr = self._calculator.clone() |
---|
| 611 | # Skip the slit settings for the estimation |
---|
| 612 | # It slows down the application and it doesn't change the estimates |
---|
| 613 | pr.slit_height = 0.0 |
---|
| 614 | pr.slit_width = 0.0 |
---|
| 615 | nfunc = self.getNFunc() |
---|
[f1ec901] | 616 | |
---|
[ae34d30] | 617 | self.estimationThreadNT = EstimateNT(pr, nfunc, |
---|
| 618 | error_func=self._threadError, |
---|
| 619 | completefn=self._estimateNTCompleted, |
---|
| 620 | updatefn=None) |
---|
| 621 | self.estimationThreadNT.queue() |
---|
| 622 | self.estimationThreadNT.ready(2.5) |
---|
[fa81e94] | 623 | |
---|
| 624 | def performEstimate(self): |
---|
| 625 | """ |
---|
| 626 | Perform parameter estimation |
---|
| 627 | """ |
---|
| 628 | from .Thread import EstimatePr |
---|
| 629 | |
---|
| 630 | # If a thread is already started, stop it |
---|
[ae34d30] | 631 | if (self.estimationThread is not None and |
---|
| 632 | self.estimationThread.isrunning()): |
---|
| 633 | self.estimationThread.stop() |
---|
| 634 | self.estimationThread = EstimatePr(self._calculator.clone(), |
---|
| 635 | self.getNFunc(), |
---|
| 636 | error_func=self._threadError, |
---|
| 637 | completefn=self._estimateCompleted, |
---|
| 638 | updatefn=None) |
---|
| 639 | self.estimationThread.queue() |
---|
| 640 | self.estimationThread.ready(2.5) |
---|
[fa81e94] | 641 | |
---|
| 642 | ###################################################################### |
---|
| 643 | # Thread Complete |
---|
| 644 | |
---|
| 645 | def _estimateCompleted(self, alpha, message, elapsed): |
---|
[f1ec901] | 646 | ''' Send a signal to the main thread for model update''' |
---|
| 647 | self.estimateSignal.emit((alpha, message, elapsed)) |
---|
| 648 | |
---|
| 649 | def _estimateUpdate(self, output_tuple): |
---|
[fa81e94] | 650 | """ |
---|
| 651 | Parameter estimation completed, |
---|
| 652 | display the results to the user |
---|
| 653 | |
---|
| 654 | :param alpha: estimated best alpha |
---|
| 655 | :param elapsed: computation time |
---|
| 656 | """ |
---|
[f1ec901] | 657 | alpha, message, elapsed = output_tuple |
---|
[fa81e94] | 658 | if message: |
---|
| 659 | logging.info(message) |
---|
[98485fe] | 660 | self.performEstimateNT() |
---|
[fa81e94] | 661 | |
---|
| 662 | def _estimateNTCompleted(self, nterms, alpha, message, elapsed): |
---|
[f1ec901] | 663 | ''' Send a signal to the main thread for model update''' |
---|
| 664 | self.estimateNTSignal.emit((nterms, alpha, message, elapsed)) |
---|
| 665 | |
---|
| 666 | def _estimateNTUpdate(self, output_tuple): |
---|
[fa81e94] | 667 | """ |
---|
| 668 | Parameter estimation completed, |
---|
| 669 | display the results to the user |
---|
| 670 | |
---|
| 671 | :param alpha: estimated best alpha |
---|
| 672 | :param nterms: estimated number of terms |
---|
| 673 | :param elapsed: computation time |
---|
| 674 | """ |
---|
[f1ec901] | 675 | nterms, alpha, message, elapsed = output_tuple |
---|
[e51e078] | 676 | self._calculator.elapsed = elapsed |
---|
| 677 | self._calculator.suggested_alpha = alpha |
---|
| 678 | self.nTermsSuggested = nterms |
---|
[fa81e94] | 679 | # Save useful info |
---|
[e51e078] | 680 | self.updateGuiValues() |
---|
[fa81e94] | 681 | if message: |
---|
| 682 | logging.info(message) |
---|
[98485fe] | 683 | if self.isBatch: |
---|
| 684 | self.acceptAlpha() |
---|
| 685 | self.acceptNoTerms() |
---|
| 686 | self.startThread() |
---|
[fa81e94] | 687 | |
---|
[f1ec901] | 688 | def _calculateCompleted(self, out, cov, pr, elapsed): |
---|
| 689 | ''' Send a signal to the main thread for model update''' |
---|
| 690 | self.calculateSignal.emit((out, cov, pr, elapsed)) |
---|
| 691 | |
---|
| 692 | def _calculateUpdate(self, output_tuple): |
---|
[fa81e94] | 693 | """ |
---|
| 694 | Method called with the results when the inversion is done |
---|
| 695 | |
---|
| 696 | :param out: output coefficient for the base functions |
---|
| 697 | :param cov: covariance matrix |
---|
| 698 | :param pr: Invertor instance |
---|
| 699 | :param elapsed: time spent computing |
---|
| 700 | """ |
---|
[f1ec901] | 701 | out, cov, pr, elapsed = output_tuple |
---|
[fa81e94] | 702 | # Save useful info |
---|
| 703 | cov = np.ascontiguousarray(cov) |
---|
| 704 | pr.cov = cov |
---|
| 705 | pr.out = out |
---|
| 706 | pr.elapsed = elapsed |
---|
| 707 | |
---|
| 708 | # Save Pr invertor |
---|
| 709 | self._calculator = pr |
---|
[f1ec901] | 710 | |
---|
[318b353e] | 711 | # Update P(r) and fit plots |
---|
[ae34d30] | 712 | self.prPlot = self.logic.newPRPlot(out, self._calculator, cov) |
---|
| 713 | self.prPlot.filename = self.logic.data.filename |
---|
| 714 | self.dataPlot = self.logic.new1DPlot(out, self._calculator) |
---|
| 715 | self.dataPlot.filename = self.logic.data.filename |
---|
[318b353e] | 716 | |
---|
| 717 | # Udpate internals and GUI |
---|
[e51e078] | 718 | self.updateDataList(self._data) |
---|
| 719 | self.updateGuiValues() |
---|
[98485fe] | 720 | if self.isBatch: |
---|
| 721 | self.batchComplete.append(self.dataList.currentIndex()) |
---|
| 722 | self.startNextBatchItem() |
---|
[fa81e94] | 723 | |
---|
| 724 | def _threadError(self, error): |
---|
| 725 | """ |
---|
| 726 | Call-back method for calculation errors |
---|
| 727 | """ |
---|
| 728 | logging.warning(error) |
---|