[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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[6da860a] | 34 | logger = logging.getLogger(__name__) |
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| 35 | |
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[fa81e94] | 36 | |
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[d4881f6a] | 37 | class InversionWindow(QtWidgets.QDialog, Ui_PrInversion): |
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[fa81e94] | 38 | """ |
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| 39 | The main window for the P(r) Inversion perspective. |
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| 40 | """ |
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| 41 | |
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| 42 | name = "Inversion" |
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[f1ec901] | 43 | estimateSignal = QtCore.pyqtSignal(tuple) |
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| 44 | estimateNTSignal = QtCore.pyqtSignal(tuple) |
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| 45 | calculateSignal = QtCore.pyqtSignal(tuple) |
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[fa81e94] | 46 | |
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| 47 | def __init__(self, parent=None, data=None): |
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| 48 | super(InversionWindow, self).__init__() |
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| 49 | self.setupUi(self) |
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| 50 | |
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| 51 | self.setWindowTitle("P(r) Inversion Perspective") |
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| 52 | |
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| 53 | self._manager = parent |
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[b9e89d5] | 54 | self.communicate = parent.communicator() |
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| 55 | self.communicate.dataDeletedSignal.connect(self.removeData) |
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[fa81e94] | 56 | |
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| 57 | self.logic = InversionLogic() |
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| 58 | |
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| 59 | # The window should not close |
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[ae34d30] | 60 | self._allowClose = False |
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[fa81e94] | 61 | |
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[ae34d30] | 62 | # Visible data items |
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[fa81e94] | 63 | # current QStandardItem showing on the panel |
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| 64 | self._data = None |
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[47bf906] | 65 | # Reference to Dmax window for self._data |
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| 66 | self.dmaxWindow = None |
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| 67 | # p(r) calculator for self._data |
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[fa81e94] | 68 | self._calculator = Invertor() |
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[304e42f] | 69 | # Default to background estimate |
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[bb6b037] | 70 | self._calculator.est_bck = True |
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[47bf906] | 71 | # plots of self._data |
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[ae34d30] | 72 | self.prPlot = None |
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| 73 | self.dataPlot = None |
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[e51e078] | 74 | # suggested nTerms |
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| 75 | self.nTermsSuggested = NUMBER_OF_TERMS |
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[47bf906] | 76 | |
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| 77 | # Calculation threads used by all data items |
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[ae34d30] | 78 | self.calcThread = None |
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| 79 | self.estimationThread = None |
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| 80 | self.estimationThreadNT = None |
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[72ecbdf2] | 81 | self.isCalculating = False |
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[fa81e94] | 82 | |
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[47bf906] | 83 | # Mapping for all data items |
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[ae34d30] | 84 | # Dictionary mapping data to all parameters |
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| 85 | self._dataList = {} |
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[fa81e94] | 86 | if not isinstance(data, list): |
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| 87 | data_list = [data] |
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| 88 | if data is not None: |
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| 89 | for datum in data_list: |
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[e51e078] | 90 | self.updateDataList(datum) |
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[f1ec901] | 91 | |
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[044454d] | 92 | self.dataDeleted = False |
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| 93 | |
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[fa81e94] | 94 | self.model = QtGui.QStandardItemModel(self) |
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| 95 | self.mapper = QtWidgets.QDataWidgetMapper(self) |
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[8f83719f] | 96 | |
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[ae34d30] | 97 | # Batch fitting parameters |
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| 98 | self.isBatch = False |
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| 99 | self.batchResultsWindow = None |
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[98485fe] | 100 | self.batchResults = {} |
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| 101 | self.batchComplete = [] |
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[effdd98] | 102 | |
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[8f83719f] | 103 | # Add validators |
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| 104 | self.setupValidators() |
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[fa81e94] | 105 | # Link user interactions with methods |
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| 106 | self.setupLinks() |
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| 107 | # Set values |
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| 108 | self.setupModel() |
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| 109 | # Set up the Widget Map |
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| 110 | self.setupMapper() |
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| 111 | # Set base window state |
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| 112 | self.setupWindow() |
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| 113 | |
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| 114 | ###################################################################### |
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| 115 | # Base Perspective Class Definitions |
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| 116 | |
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| 117 | def communicator(self): |
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| 118 | return self.communicate |
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| 119 | |
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| 120 | def allowBatch(self): |
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| 121 | return True |
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| 122 | |
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| 123 | def setClosable(self, value=True): |
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| 124 | """ |
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| 125 | Allow outsiders close this widget |
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| 126 | """ |
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| 127 | assert isinstance(value, bool) |
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[ae34d30] | 128 | self._allowClose = value |
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[fa81e94] | 129 | |
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[917eba5] | 130 | def isClosable(self): |
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| 131 | """ |
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| 132 | Allow outsiders close this widget |
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| 133 | """ |
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| 134 | return self._allowClose |
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| 135 | |
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[fa81e94] | 136 | def closeEvent(self, event): |
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| 137 | """ |
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| 138 | Overwrite QDialog close method to allow for custom widget close |
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| 139 | """ |
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[ae34d30] | 140 | # Close report widgets before closing/minimizing main widget |
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| 141 | self.closeDMax() |
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| 142 | self.closeBatchResults() |
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| 143 | if self._allowClose: |
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[fa81e94] | 144 | # reset the closability flag |
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| 145 | self.setClosable(value=False) |
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[d4881f6a] | 146 | # Tell the MdiArea to close the container |
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| 147 | self.parentWidget().close() |
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[fa81e94] | 148 | event.accept() |
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| 149 | else: |
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| 150 | event.ignore() |
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| 151 | # Maybe we should just minimize |
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| 152 | self.setWindowState(QtCore.Qt.WindowMinimized) |
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| 153 | |
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[ae34d30] | 154 | def closeDMax(self): |
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| 155 | if self.dmaxWindow is not None: |
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| 156 | self.dmaxWindow.close() |
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| 157 | |
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| 158 | def closeBatchResults(self): |
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| 159 | if self.batchResultsWindow is not None: |
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| 160 | self.batchResultsWindow.close() |
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| 161 | |
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[fa81e94] | 162 | ###################################################################### |
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| 163 | # Initialization routines |
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| 164 | |
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| 165 | def setupLinks(self): |
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| 166 | """Connect the use controls to their appropriate methods""" |
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| 167 | self.dataList.currentIndexChanged.connect(self.displayChange) |
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[f1ec901] | 168 | self.calculateAllButton.clicked.connect(self.startThreadAll) |
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| 169 | self.calculateThisButton.clicked.connect(self.startThread) |
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[72ecbdf2] | 170 | self.stopButton.clicked.connect(self.stopCalculation) |
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[fa81e94] | 171 | self.removeButton.clicked.connect(self.removeData) |
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| 172 | self.helpButton.clicked.connect(self.help) |
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| 173 | self.estimateBgd.toggled.connect(self.toggleBgd) |
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| 174 | self.manualBgd.toggled.connect(self.toggleBgd) |
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| 175 | self.regConstantSuggestionButton.clicked.connect(self.acceptAlpha) |
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| 176 | self.noOfTermsSuggestionButton.clicked.connect(self.acceptNoTerms) |
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| 177 | self.explorerButton.clicked.connect(self.openExplorerWindow) |
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[f1ec901] | 178 | |
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[d79bb7e] | 179 | self.backgroundInput.textChanged.connect( |
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[bb6b037] | 180 | lambda: self.set_background(self.backgroundInput.text())) |
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[d79bb7e] | 181 | self.minQInput.textChanged.connect( |
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[8f83719f] | 182 | lambda: self._calculator.set_qmin(is_float(self.minQInput.text()))) |
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[d79bb7e] | 183 | self.regularizationConstantInput.textChanged.connect( |
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[8f83719f] | 184 | lambda: self._calculator.set_alpha(is_float(self.regularizationConstantInput.text()))) |
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[d79bb7e] | 185 | self.maxDistanceInput.textChanged.connect( |
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[8f83719f] | 186 | lambda: self._calculator.set_dmax(is_float(self.maxDistanceInput.text()))) |
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[d79bb7e] | 187 | self.maxQInput.textChanged.connect( |
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[8f83719f] | 188 | lambda: self._calculator.set_qmax(is_float(self.maxQInput.text()))) |
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[d79bb7e] | 189 | self.slitHeightInput.textChanged.connect( |
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[8f83719f] | 190 | lambda: self._calculator.set_slit_height(is_float(self.slitHeightInput.text()))) |
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[d79bb7e] | 191 | self.slitWidthInput.textChanged.connect( |
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| 192 | lambda: self._calculator.set_slit_width(is_float(self.slitWidthInput.text()))) |
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[f1ec901] | 193 | |
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[fa81e94] | 194 | self.model.itemChanged.connect(self.model_changed) |
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[f1ec901] | 195 | self.estimateNTSignal.connect(self._estimateNTUpdate) |
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| 196 | self.estimateSignal.connect(self._estimateUpdate) |
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| 197 | self.calculateSignal.connect(self._calculateUpdate) |
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[fa81e94] | 198 | |
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| 199 | def setupMapper(self): |
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| 200 | # Set up the mapper. |
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| 201 | self.mapper.setOrientation(QtCore.Qt.Vertical) |
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| 202 | self.mapper.setModel(self.model) |
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| 203 | |
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| 204 | # Filename |
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| 205 | self.mapper.addMapping(self.dataList, WIDGETS.W_FILENAME) |
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| 206 | # Background |
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| 207 | self.mapper.addMapping(self.backgroundInput, WIDGETS.W_BACKGROUND_INPUT) |
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| 208 | self.mapper.addMapping(self.estimateBgd, WIDGETS.W_ESTIMATE) |
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| 209 | self.mapper.addMapping(self.manualBgd, WIDGETS.W_MANUAL_INPUT) |
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| 210 | |
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| 211 | # Qmin/Qmax |
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| 212 | self.mapper.addMapping(self.minQInput, WIDGETS.W_QMIN) |
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| 213 | self.mapper.addMapping(self.maxQInput, WIDGETS.W_QMAX) |
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| 214 | |
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| 215 | # Slit Parameter items |
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| 216 | self.mapper.addMapping(self.slitWidthInput, WIDGETS.W_SLIT_WIDTH) |
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| 217 | self.mapper.addMapping(self.slitHeightInput, WIDGETS.W_SLIT_HEIGHT) |
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| 218 | |
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| 219 | # Parameter Items |
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[8f83719f] | 220 | self.mapper.addMapping(self.regularizationConstantInput, WIDGETS.W_REGULARIZATION) |
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| 221 | self.mapper.addMapping(self.regConstantSuggestionButton, WIDGETS.W_REGULARIZATION_SUGGEST) |
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[fa81e94] | 222 | self.mapper.addMapping(self.explorerButton, WIDGETS.W_EXPLORE) |
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| 223 | self.mapper.addMapping(self.maxDistanceInput, WIDGETS.W_MAX_DIST) |
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| 224 | self.mapper.addMapping(self.noOfTermsInput, WIDGETS.W_NO_TERMS) |
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[8f83719f] | 225 | self.mapper.addMapping(self.noOfTermsSuggestionButton, WIDGETS.W_NO_TERMS_SUGGEST) |
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[fa81e94] | 226 | |
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| 227 | # Output |
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| 228 | self.mapper.addMapping(self.rgValue, WIDGETS.W_RG) |
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| 229 | self.mapper.addMapping(self.iQ0Value, WIDGETS.W_I_ZERO) |
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| 230 | self.mapper.addMapping(self.backgroundValue, WIDGETS.W_BACKGROUND_OUTPUT) |
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| 231 | self.mapper.addMapping(self.computationTimeValue, WIDGETS.W_COMP_TIME) |
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| 232 | self.mapper.addMapping(self.chiDofValue, WIDGETS.W_CHI_SQUARED) |
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| 233 | self.mapper.addMapping(self.oscillationValue, WIDGETS.W_OSCILLATION) |
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| 234 | self.mapper.addMapping(self.posFractionValue, WIDGETS.W_POS_FRACTION) |
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[8f83719f] | 235 | self.mapper.addMapping(self.sigmaPosFractionValue, WIDGETS.W_SIGMA_POS_FRACTION) |
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[fa81e94] | 236 | |
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| 237 | # Main Buttons |
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| 238 | self.mapper.addMapping(self.removeButton, WIDGETS.W_REMOVE) |
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[f1ec901] | 239 | self.mapper.addMapping(self.calculateAllButton, WIDGETS.W_CALCULATE_ALL) |
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[8f83719f] | 240 | self.mapper.addMapping(self.calculateThisButton, WIDGETS.W_CALCULATE_VISIBLE) |
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[fa81e94] | 241 | self.mapper.addMapping(self.helpButton, WIDGETS.W_HELP) |
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| 242 | |
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| 243 | self.mapper.toFirst() |
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| 244 | |
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| 245 | def setupModel(self): |
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| 246 | """ |
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| 247 | Update boxes with initial values |
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| 248 | """ |
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[ae34d30] | 249 | bgd_item = QtGui.QStandardItem(str(BACKGROUND_INPUT)) |
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| 250 | self.model.setItem(WIDGETS.W_BACKGROUND_INPUT, bgd_item) |
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[d79bb7e] | 251 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 252 | self.model.setItem(WIDGETS.W_QMIN, blank_item) |
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[d79bb7e] | 253 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 254 | self.model.setItem(WIDGETS.W_QMAX, blank_item) |
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[d79bb7e] | 255 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 256 | self.model.setItem(WIDGETS.W_SLIT_WIDTH, blank_item) |
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[d79bb7e] | 257 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 258 | self.model.setItem(WIDGETS.W_SLIT_HEIGHT, blank_item) |
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[d79bb7e] | 259 | no_terms_item = QtGui.QStandardItem(str(NUMBER_OF_TERMS)) |
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[ae34d30] | 260 | self.model.setItem(WIDGETS.W_NO_TERMS, no_terms_item) |
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[d79bb7e] | 261 | reg_item = QtGui.QStandardItem(str(REGULARIZATION)) |
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[ae34d30] | 262 | self.model.setItem(WIDGETS.W_REGULARIZATION, reg_item) |
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[d79bb7e] | 263 | max_dist_item = QtGui.QStandardItem(str(MAX_DIST)) |
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[ae34d30] | 264 | self.model.setItem(WIDGETS.W_MAX_DIST, max_dist_item) |
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[d79bb7e] | 265 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 266 | self.model.setItem(WIDGETS.W_RG, blank_item) |
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[d79bb7e] | 267 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 268 | self.model.setItem(WIDGETS.W_I_ZERO, blank_item) |
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[d79bb7e] | 269 | bgd_item = QtGui.QStandardItem(str(BACKGROUND_INPUT)) |
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[ae34d30] | 270 | self.model.setItem(WIDGETS.W_BACKGROUND_OUTPUT, bgd_item) |
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[d79bb7e] | 271 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 272 | self.model.setItem(WIDGETS.W_COMP_TIME, blank_item) |
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[d79bb7e] | 273 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 274 | self.model.setItem(WIDGETS.W_CHI_SQUARED, blank_item) |
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[d79bb7e] | 275 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 276 | self.model.setItem(WIDGETS.W_OSCILLATION, blank_item) |
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[d79bb7e] | 277 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 278 | self.model.setItem(WIDGETS.W_POS_FRACTION, blank_item) |
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[d79bb7e] | 279 | blank_item = QtGui.QStandardItem("") |
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[ae34d30] | 280 | self.model.setItem(WIDGETS.W_SIGMA_POS_FRACTION, blank_item) |
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[fa81e94] | 281 | |
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| 282 | def setupWindow(self): |
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| 283 | """Initialize base window state on init""" |
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| 284 | self.enableButtons() |
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| 285 | self.estimateBgd.setChecked(True) |
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| 286 | |
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[8f83719f] | 287 | def setupValidators(self): |
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| 288 | """Apply validators to editable line edits""" |
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| 289 | self.noOfTermsInput.setValidator(QtGui.QIntValidator()) |
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| 290 | self.regularizationConstantInput.setValidator(GuiUtils.DoubleValidator()) |
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| 291 | self.maxDistanceInput.setValidator(GuiUtils.DoubleValidator()) |
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| 292 | self.minQInput.setValidator(GuiUtils.DoubleValidator()) |
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| 293 | self.maxQInput.setValidator(GuiUtils.DoubleValidator()) |
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| 294 | self.slitHeightInput.setValidator(GuiUtils.DoubleValidator()) |
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| 295 | self.slitWidthInput.setValidator(GuiUtils.DoubleValidator()) |
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| 296 | |
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[fa81e94] | 297 | ###################################################################### |
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| 298 | # Methods for updating GUI |
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| 299 | |
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| 300 | def enableButtons(self): |
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| 301 | """ |
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| 302 | Enable buttons when data is present, else disable them |
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| 303 | """ |
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[ae34d30] | 304 | self.calculateAllButton.setEnabled(len(self._dataList) > 1 |
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[72ecbdf2] | 305 | and not self.isBatch |
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| 306 | and not self.isCalculating) |
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[ae34d30] | 307 | self.calculateThisButton.setEnabled(self.logic.data_is_loaded |
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[72ecbdf2] | 308 | and not self.isBatch |
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| 309 | and not self.isCalculating) |
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[fa81e94] | 310 | self.removeButton.setEnabled(self.logic.data_is_loaded) |
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| 311 | self.explorerButton.setEnabled(self.logic.data_is_loaded) |
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[72ecbdf2] | 312 | self.stopButton.setVisible(self.isCalculating) |
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[b685c7b] | 313 | self.regConstantSuggestionButton.setEnabled( |
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[d79bb7e] | 314 | self.logic.data_is_loaded and |
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[b685c7b] | 315 | self._calculator.suggested_alpha != self._calculator.alpha) |
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| 316 | self.noOfTermsSuggestionButton.setEnabled( |
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[d79bb7e] | 317 | self.logic.data_is_loaded and |
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[b685c7b] | 318 | self._calculator.nfunc != self.nTermsSuggested) |
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[fa81e94] | 319 | |
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| 320 | def populateDataComboBox(self, filename, data_ref): |
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| 321 | """ |
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| 322 | Append a new file name to the data combobox |
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| 323 | :param filename: data filename |
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| 324 | :param data_ref: QStandardItem reference for data set to be added |
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| 325 | """ |
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[6a3e1fe] | 326 | self.dataList.addItem(filename, data_ref) |
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[fa81e94] | 327 | |
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| 328 | def acceptNoTerms(self): |
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| 329 | """Send estimated no of terms to input""" |
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| 330 | self.model.setItem(WIDGETS.W_NO_TERMS, QtGui.QStandardItem( |
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| 331 | self.noOfTermsSuggestionButton.text())) |
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| 332 | |
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| 333 | def acceptAlpha(self): |
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| 334 | """Send estimated alpha to input""" |
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| 335 | self.model.setItem(WIDGETS.W_REGULARIZATION, QtGui.QStandardItem( |
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| 336 | self.regConstantSuggestionButton.text())) |
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| 337 | |
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[edd6720] | 338 | def displayChange(self, data_index=0): |
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[47bf906] | 339 | """Switch to another item in the data list""" |
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[044454d] | 340 | if self.dataDeleted: |
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| 341 | return |
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[edd6720] | 342 | self.updateDataList(self._data) |
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| 343 | self.setCurrentData(self.dataList.itemData(data_index)) |
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[fa81e94] | 344 | |
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| 345 | ###################################################################### |
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| 346 | # GUI Interaction Events |
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| 347 | |
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[ae34d30] | 348 | def updateCalculator(self): |
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[fa81e94] | 349 | """Update all p(r) params""" |
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[edd6720] | 350 | self._calculator.set_x(self.logic.data.x) |
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| 351 | self._calculator.set_y(self.logic.data.y) |
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| 352 | self._calculator.set_err(self.logic.data.dy) |
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[441a03f] | 353 | self.set_background(self.backgroundInput.text()) |
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| 354 | |
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| 355 | def set_background(self, value): |
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| 356 | self._calculator.background = is_float(value) |
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[fa81e94] | 357 | |
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| 358 | def model_changed(self): |
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| 359 | """Update the values when user makes changes""" |
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| 360 | if not self.mapper: |
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| 361 | msg = "Unable to update P{r}. The connection between the main GUI " |
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| 362 | msg += "and P(r) was severed. Attempting to restart P(r)." |
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[6da860a] | 363 | logger.warning(msg) |
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[fa81e94] | 364 | self.setClosable(True) |
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| 365 | self.close() |
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[ae34d30] | 366 | InversionWindow.__init__(self.parent(), list(self._dataList.keys())) |
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[fa81e94] | 367 | exit(0) |
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[8f83719f] | 368 | if self.dmaxWindow is not None: |
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[47bf906] | 369 | self.dmaxWindow.nfunc = self.getNFunc() |
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[bb6b037] | 370 | self.dmaxWindow.pr_state = self._calculator |
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[edd6720] | 371 | self.mapper.toLast() |
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[fa81e94] | 372 | |
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| 373 | def help(self): |
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| 374 | """ |
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| 375 | Open the P(r) Inversion help browser |
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| 376 | """ |
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[e90988c] | 377 | tree_location = "/user/sasgui/perspectives/pr/pr_help.html" |
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[fa81e94] | 378 | |
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| 379 | # Actual file anchor will depend on the combo box index |
---|
| 380 | # Note that we can be clusmy here, since bad current_fitter_id |
---|
| 381 | # will just make the page displayed from the top |
---|
[e90988c] | 382 | self._manager.showHelp(tree_location) |
---|
[fa81e94] | 383 | |
---|
| 384 | def toggleBgd(self): |
---|
| 385 | """ |
---|
| 386 | Toggle the background between manual and estimated |
---|
| 387 | """ |
---|
[edd6720] | 388 | if self.estimateBgd.isChecked(): |
---|
| 389 | self.manualBgd.setChecked(False) |
---|
[fa81e94] | 390 | self.backgroundInput.setEnabled(False) |
---|
[304e42f] | 391 | self._calculator.set_est_bck = True |
---|
[edd6720] | 392 | elif self.manualBgd.isChecked(): |
---|
| 393 | self.estimateBgd.setChecked(False) |
---|
[fa81e94] | 394 | self.backgroundInput.setEnabled(True) |
---|
[304e42f] | 395 | self._calculator.set_est_bck = False |
---|
[441a03f] | 396 | else: |
---|
| 397 | pass |
---|
[fa81e94] | 398 | |
---|
| 399 | def openExplorerWindow(self): |
---|
| 400 | """ |
---|
| 401 | Open the Explorer window to see correlations between params and results |
---|
| 402 | """ |
---|
| 403 | from .DMaxExplorerWidget import DmaxWindow |
---|
[6da860a] | 404 | self.dmaxWindow = DmaxWindow(pr_state=self._calculator, |
---|
| 405 | nfunc=self.getNFunc(), |
---|
| 406 | parent=self) |
---|
[fa81e94] | 407 | self.dmaxWindow.show() |
---|
| 408 | |
---|
[98485fe] | 409 | def showBatchOutput(self): |
---|
[76567bb] | 410 | """ |
---|
| 411 | Display the batch output in tabular form |
---|
| 412 | :param output_data: Dictionary mapping filename -> P(r) instance |
---|
| 413 | """ |
---|
[ae34d30] | 414 | if self.batchResultsWindow is None: |
---|
| 415 | self.batchResultsWindow = BatchInversionOutputPanel( |
---|
[98485fe] | 416 | parent=self, output_data=self.batchResults) |
---|
[76567bb] | 417 | else: |
---|
[ae34d30] | 418 | self.batchResultsWindow.setupTable(self.batchResults) |
---|
| 419 | self.batchResultsWindow.show() |
---|
[effdd98] | 420 | |
---|
[72ecbdf2] | 421 | def stopCalculation(self): |
---|
| 422 | """ Stop all threads, return to the base state and update GUI """ |
---|
| 423 | if self.calcThread: |
---|
| 424 | self.calcThread.stop() |
---|
| 425 | if self.estimationThread: |
---|
| 426 | self.estimationThread.stop() |
---|
| 427 | if self.estimationThreadNT: |
---|
| 428 | self.estimationThreadNT.stop() |
---|
| 429 | # Show any batch calculations that successfully completed |
---|
| 430 | if self.isBatch and self.batchResultsWindow is not None: |
---|
| 431 | self.showBatchOutput() |
---|
| 432 | self.isBatch = False |
---|
| 433 | self.isCalculating = False |
---|
| 434 | self.updateGuiValues() |
---|
| 435 | |
---|
[fa81e94] | 436 | ###################################################################### |
---|
| 437 | # Response Actions |
---|
| 438 | |
---|
| 439 | def setData(self, data_item=None, is_batch=False): |
---|
| 440 | """ |
---|
| 441 | Assign new data set(s) to the P(r) perspective |
---|
| 442 | Obtain a QStandardItem object and parse it to get Data1D/2D |
---|
| 443 | Pass it over to the calculator |
---|
| 444 | """ |
---|
| 445 | assert data_item is not None |
---|
| 446 | |
---|
| 447 | if not isinstance(data_item, list): |
---|
| 448 | msg = "Incorrect type passed to the P(r) Perspective" |
---|
[47bf906] | 449 | raise AttributeError(msg) |
---|
[fa81e94] | 450 | |
---|
| 451 | for data in data_item: |
---|
[ae34d30] | 452 | if data in self._dataList.keys(): |
---|
[8f83719f] | 453 | # Don't add data if it's already in |
---|
[edd6720] | 454 | continue |
---|
[fa81e94] | 455 | # Create initial internal mappings |
---|
[edd6720] | 456 | self.logic.data = GuiUtils.dataFromItem(data) |
---|
[e51e078] | 457 | # Estimate q range |
---|
| 458 | qmin, qmax = self.logic.computeDataRange() |
---|
| 459 | self._calculator.set_qmin(qmin) |
---|
| 460 | self._calculator.set_qmax(qmax) |
---|
| 461 | self.updateDataList(data) |
---|
[edd6720] | 462 | self.populateDataComboBox(self.logic.data.filename, data) |
---|
| 463 | self.dataList.setCurrentIndex(len(self.dataList) - 1) |
---|
| 464 | self.setCurrentData(data) |
---|
[fa81e94] | 465 | |
---|
[47bf906] | 466 | def updateDataList(self, dataRef): |
---|
| 467 | """Save the current data state of the window into self._data_list""" |
---|
[e51e078] | 468 | if dataRef is None: |
---|
| 469 | return |
---|
[ae34d30] | 470 | self._dataList[dataRef] = { |
---|
[e51e078] | 471 | DICT_KEYS[0]: self._calculator, |
---|
[ae34d30] | 472 | DICT_KEYS[1]: self.prPlot, |
---|
| 473 | DICT_KEYS[2]: self.dataPlot |
---|
[47bf906] | 474 | } |
---|
[98485fe] | 475 | # Update batch results window when finished |
---|
| 476 | self.batchResults[self.logic.data.filename] = self._calculator |
---|
[ae34d30] | 477 | if self.batchResultsWindow is not None: |
---|
[98485fe] | 478 | self.showBatchOutput() |
---|
[47bf906] | 479 | |
---|
[fa81e94] | 480 | def getNFunc(self): |
---|
| 481 | """Get the n_func value from the GUI object""" |
---|
[50bfab0] | 482 | try: |
---|
| 483 | nfunc = int(self.noOfTermsInput.text()) |
---|
| 484 | except ValueError: |
---|
[6da860a] | 485 | logger.error("Incorrect number of terms specified: %s" |
---|
[edd6720] | 486 | %self.noOfTermsInput.text()) |
---|
[50bfab0] | 487 | self.noOfTermsInput.setText(str(NUMBER_OF_TERMS)) |
---|
| 488 | nfunc = NUMBER_OF_TERMS |
---|
| 489 | return nfunc |
---|
[fa81e94] | 490 | |
---|
| 491 | def setCurrentData(self, data_ref): |
---|
[47bf906] | 492 | """Get the data by reference and display as necessary""" |
---|
[304e42f] | 493 | if data_ref is None: |
---|
| 494 | return |
---|
[fa81e94] | 495 | if not isinstance(data_ref, QtGui.QStandardItem): |
---|
| 496 | msg = "Incorrect type passed to the P(r) Perspective" |
---|
[e51e078] | 497 | raise AttributeError(msg) |
---|
[fa81e94] | 498 | # Data references |
---|
| 499 | self._data = data_ref |
---|
[edd6720] | 500 | self.logic.data = GuiUtils.dataFromItem(data_ref) |
---|
[ae34d30] | 501 | self._calculator = self._dataList[data_ref].get(DICT_KEYS[0]) |
---|
| 502 | self.prPlot = self._dataList[data_ref].get(DICT_KEYS[1]) |
---|
| 503 | self.dataPlot = self._dataList[data_ref].get(DICT_KEYS[2]) |
---|
[edd6720] | 504 | self.performEstimate() |
---|
[e51e078] | 505 | |
---|
| 506 | def updateGuiValues(self): |
---|
| 507 | pr = self._calculator |
---|
| 508 | out = self._calculator.out |
---|
| 509 | cov = self._calculator.cov |
---|
| 510 | elapsed = self._calculator.elapsed |
---|
| 511 | alpha = self._calculator.suggested_alpha |
---|
| 512 | self.model.setItem(WIDGETS.W_QMIN, |
---|
| 513 | QtGui.QStandardItem("{:.4g}".format(pr.get_qmin()))) |
---|
| 514 | self.model.setItem(WIDGETS.W_QMAX, |
---|
| 515 | QtGui.QStandardItem("{:.4g}".format(pr.get_qmax()))) |
---|
| 516 | self.model.setItem(WIDGETS.W_BACKGROUND_INPUT, |
---|
[effdd98] | 517 | QtGui.QStandardItem("{:.3g}".format(pr.background))) |
---|
[e51e078] | 518 | self.model.setItem(WIDGETS.W_BACKGROUND_OUTPUT, |
---|
| 519 | QtGui.QStandardItem("{:.3g}".format(pr.background))) |
---|
| 520 | self.model.setItem(WIDGETS.W_COMP_TIME, |
---|
| 521 | QtGui.QStandardItem("{:.4g}".format(elapsed))) |
---|
[ae34d30] | 522 | self.model.setItem(WIDGETS.W_MAX_DIST, |
---|
| 523 | QtGui.QStandardItem("{:.4g}".format(pr.get_dmax()))) |
---|
[b685c7b] | 524 | self.regConstantSuggestionButton.setText("{:-3.2g}".format(alpha)) |
---|
| 525 | self.noOfTermsSuggestionButton.setText( |
---|
| 526 | "{:n}".format(self.nTermsSuggested)) |
---|
[e51e078] | 527 | |
---|
[304e42f] | 528 | if isinstance(pr.chi2, np.ndarray): |
---|
[e51e078] | 529 | self.model.setItem(WIDGETS.W_CHI_SQUARED, |
---|
| 530 | QtGui.QStandardItem("{:.3g}".format(pr.chi2[0]))) |
---|
| 531 | if out is not None: |
---|
| 532 | self.model.setItem(WIDGETS.W_RG, |
---|
| 533 | QtGui.QStandardItem("{:.3g}".format(pr.rg(out)))) |
---|
| 534 | self.model.setItem(WIDGETS.W_I_ZERO, |
---|
| 535 | QtGui.QStandardItem( |
---|
| 536 | "{:.3g}".format(pr.iq0(out)))) |
---|
| 537 | self.model.setItem(WIDGETS.W_OSCILLATION, QtGui.QStandardItem( |
---|
| 538 | "{:.3g}".format(pr.oscillations(out)))) |
---|
| 539 | self.model.setItem(WIDGETS.W_POS_FRACTION, QtGui.QStandardItem( |
---|
| 540 | "{:.3g}".format(pr.get_positive(out)))) |
---|
| 541 | if cov is not None: |
---|
| 542 | self.model.setItem(WIDGETS.W_SIGMA_POS_FRACTION, |
---|
| 543 | QtGui.QStandardItem( |
---|
| 544 | "{:.3g}".format( |
---|
| 545 | pr.get_pos_err(out, cov)))) |
---|
[ae34d30] | 546 | if self.prPlot is not None: |
---|
| 547 | title = self.prPlot.name |
---|
| 548 | GuiUtils.updateModelItemWithPlot(self._data, self.prPlot, title) |
---|
| 549 | self.communicate.plotRequestedSignal.emit([self.prPlot]) |
---|
| 550 | if self.dataPlot is not None: |
---|
| 551 | title = self.dataPlot.name |
---|
| 552 | GuiUtils.updateModelItemWithPlot(self._data, self.dataPlot, title) |
---|
[044454d] | 553 | self.communicate.plotRequestedSignal.emit([self.dataPlot]) |
---|
[b685c7b] | 554 | self.enableButtons() |
---|
[47bf906] | 555 | |
---|
[b9e89d5] | 556 | def removeData(self, data_list=None): |
---|
[47bf906] | 557 | """Remove the existing data reference from the P(r) Persepective""" |
---|
[044454d] | 558 | self.dataDeleted = True |
---|
[d79bb7e] | 559 | self.batchResults = {} |
---|
[b9e89d5] | 560 | if not data_list: |
---|
| 561 | data_list = [self._data] |
---|
[ae34d30] | 562 | self.closeDMax() |
---|
[b9e89d5] | 563 | for data in data_list: |
---|
[ae34d30] | 564 | self._dataList.pop(data) |
---|
[76567bb] | 565 | self._data = None |
---|
[044454d] | 566 | length = len(self.dataList) |
---|
| 567 | for index in reversed(range(length)): |
---|
[b9e89d5] | 568 | if self.dataList.itemData(index) in data_list: |
---|
| 569 | self.dataList.removeItem(index) |
---|
[e51e078] | 570 | # Last file removed |
---|
[044454d] | 571 | self.dataDeleted = False |
---|
[ae34d30] | 572 | if len(self._dataList) == 0: |
---|
| 573 | self.prPlot = None |
---|
| 574 | self.dataPlot = None |
---|
[edd6720] | 575 | self.logic.data = None |
---|
[ae34d30] | 576 | self._calculator = Invertor() |
---|
| 577 | self.closeBatchResults() |
---|
[b685c7b] | 578 | self.nTermsSuggested = NUMBER_OF_TERMS |
---|
| 579 | self.noOfTermsSuggestionButton.setText("{:n}".format( |
---|
| 580 | self.nTermsSuggested)) |
---|
| 581 | self.regConstantSuggestionButton.setText("{:-3.2g}".format( |
---|
| 582 | REGULARIZATION)) |
---|
[edd6720] | 583 | self.updateGuiValues() |
---|
[b685c7b] | 584 | self.setupModel() |
---|
[ba4e3ba] | 585 | else: |
---|
| 586 | self.dataList.setCurrentIndex(0) |
---|
| 587 | self.updateGuiValues() |
---|
[fa81e94] | 588 | |
---|
| 589 | ###################################################################### |
---|
| 590 | # Thread Creators |
---|
[98485fe] | 591 | |
---|
[fa81e94] | 592 | def startThreadAll(self): |
---|
[72ecbdf2] | 593 | self.isCalculating = True |
---|
[98485fe] | 594 | self.isBatch = True |
---|
[d79bb7e] | 595 | self.batchComplete = [] |
---|
| 596 | self.calculateAllButton.setText("Calculating...") |
---|
| 597 | self.enableButtons() |
---|
| 598 | self.batchResultsWindow = BatchInversionOutputPanel( |
---|
| 599 | parent=self, output_data=self.batchResults) |
---|
[98485fe] | 600 | self.performEstimate() |
---|
| 601 | |
---|
| 602 | def startNextBatchItem(self): |
---|
| 603 | self.isBatch = False |
---|
[ae34d30] | 604 | for index in range(len(self._dataList)): |
---|
[98485fe] | 605 | if index not in self.batchComplete: |
---|
| 606 | self.dataList.setCurrentIndex(index) |
---|
| 607 | self.isBatch = True |
---|
[6da860a] | 608 | # Add the index before calculating in case calculation fails |
---|
| 609 | self.batchComplete.append(index) |
---|
[98485fe] | 610 | break |
---|
| 611 | if self.isBatch: |
---|
[76567bb] | 612 | self.performEstimate() |
---|
[ae34d30] | 613 | else: |
---|
| 614 | # If no data sets left, end batch calculation |
---|
[72ecbdf2] | 615 | self.isCalculating = False |
---|
[d79bb7e] | 616 | self.batchComplete = [] |
---|
[ae34d30] | 617 | self.calculateAllButton.setText("Calculate All") |
---|
[5a5e371] | 618 | self.showBatchOutput() |
---|
[ae34d30] | 619 | self.enableButtons() |
---|
[fa81e94] | 620 | |
---|
| 621 | def startThread(self): |
---|
| 622 | """ |
---|
| 623 | Start a calculation thread |
---|
| 624 | """ |
---|
| 625 | from .Thread import CalcPr |
---|
| 626 | |
---|
| 627 | # Set data before running the calculations |
---|
[72ecbdf2] | 628 | self.isCalculating = True |
---|
| 629 | self.enableButtons() |
---|
[ae34d30] | 630 | self.updateCalculator() |
---|
[6da860a] | 631 | # Disable calculation buttons to prevent thread interference |
---|
[fa81e94] | 632 | |
---|
| 633 | # If a thread is already started, stop it |
---|
[ae34d30] | 634 | if self.calcThread is not None and self.calcThread.isrunning(): |
---|
| 635 | self.calcThread.stop() |
---|
[fa81e94] | 636 | pr = self._calculator.clone() |
---|
| 637 | nfunc = self.getNFunc() |
---|
[ae34d30] | 638 | self.calcThread = CalcPr(pr, nfunc, |
---|
| 639 | error_func=self._threadError, |
---|
| 640 | completefn=self._calculateCompleted, |
---|
| 641 | updatefn=None) |
---|
| 642 | self.calcThread.queue() |
---|
| 643 | self.calcThread.ready(2.5) |
---|
[fa81e94] | 644 | |
---|
| 645 | def performEstimateNT(self): |
---|
| 646 | """ |
---|
[f1ec901] | 647 | Perform parameter estimation |
---|
[fa81e94] | 648 | """ |
---|
| 649 | from .Thread import EstimateNT |
---|
| 650 | |
---|
[ae34d30] | 651 | self.updateCalculator() |
---|
[edd6720] | 652 | |
---|
[fa81e94] | 653 | # If a thread is already started, stop it |
---|
[ae34d30] | 654 | if (self.estimationThreadNT is not None and |
---|
| 655 | self.estimationThreadNT.isrunning()): |
---|
| 656 | self.estimationThreadNT.stop() |
---|
[fa81e94] | 657 | pr = self._calculator.clone() |
---|
| 658 | # Skip the slit settings for the estimation |
---|
| 659 | # It slows down the application and it doesn't change the estimates |
---|
| 660 | pr.slit_height = 0.0 |
---|
| 661 | pr.slit_width = 0.0 |
---|
| 662 | nfunc = self.getNFunc() |
---|
[f1ec901] | 663 | |
---|
[ae34d30] | 664 | self.estimationThreadNT = EstimateNT(pr, nfunc, |
---|
| 665 | error_func=self._threadError, |
---|
| 666 | completefn=self._estimateNTCompleted, |
---|
| 667 | updatefn=None) |
---|
| 668 | self.estimationThreadNT.queue() |
---|
| 669 | self.estimationThreadNT.ready(2.5) |
---|
[fa81e94] | 670 | |
---|
| 671 | def performEstimate(self): |
---|
| 672 | """ |
---|
| 673 | Perform parameter estimation |
---|
| 674 | """ |
---|
| 675 | from .Thread import EstimatePr |
---|
| 676 | |
---|
| 677 | # If a thread is already started, stop it |
---|
[ae34d30] | 678 | if (self.estimationThread is not None and |
---|
| 679 | self.estimationThread.isrunning()): |
---|
| 680 | self.estimationThread.stop() |
---|
| 681 | self.estimationThread = EstimatePr(self._calculator.clone(), |
---|
| 682 | self.getNFunc(), |
---|
| 683 | error_func=self._threadError, |
---|
| 684 | completefn=self._estimateCompleted, |
---|
| 685 | updatefn=None) |
---|
| 686 | self.estimationThread.queue() |
---|
| 687 | self.estimationThread.ready(2.5) |
---|
[fa81e94] | 688 | |
---|
| 689 | ###################################################################### |
---|
| 690 | # Thread Complete |
---|
| 691 | |
---|
| 692 | def _estimateCompleted(self, alpha, message, elapsed): |
---|
[f1ec901] | 693 | ''' Send a signal to the main thread for model update''' |
---|
| 694 | self.estimateSignal.emit((alpha, message, elapsed)) |
---|
| 695 | |
---|
| 696 | def _estimateUpdate(self, output_tuple): |
---|
[fa81e94] | 697 | """ |
---|
| 698 | Parameter estimation completed, |
---|
| 699 | display the results to the user |
---|
| 700 | |
---|
| 701 | :param alpha: estimated best alpha |
---|
| 702 | :param elapsed: computation time |
---|
| 703 | """ |
---|
[f1ec901] | 704 | alpha, message, elapsed = output_tuple |
---|
[6da860a] | 705 | self._calculator.alpha = alpha |
---|
| 706 | self._calculator.elapsed += self._calculator.elapsed |
---|
[fa81e94] | 707 | if message: |
---|
[6da860a] | 708 | logger.info(message) |
---|
[98485fe] | 709 | self.performEstimateNT() |
---|
[fa81e94] | 710 | |
---|
| 711 | def _estimateNTCompleted(self, nterms, alpha, message, elapsed): |
---|
[f1ec901] | 712 | ''' Send a signal to the main thread for model update''' |
---|
| 713 | self.estimateNTSignal.emit((nterms, alpha, message, elapsed)) |
---|
| 714 | |
---|
| 715 | def _estimateNTUpdate(self, output_tuple): |
---|
[fa81e94] | 716 | """ |
---|
| 717 | Parameter estimation completed, |
---|
| 718 | display the results to the user |
---|
| 719 | |
---|
| 720 | :param alpha: estimated best alpha |
---|
| 721 | :param nterms: estimated number of terms |
---|
| 722 | :param elapsed: computation time |
---|
| 723 | """ |
---|
[f1ec901] | 724 | nterms, alpha, message, elapsed = output_tuple |
---|
[6da860a] | 725 | self._calculator.elapsed += elapsed |
---|
[e51e078] | 726 | self._calculator.suggested_alpha = alpha |
---|
| 727 | self.nTermsSuggested = nterms |
---|
[fa81e94] | 728 | # Save useful info |
---|
[e51e078] | 729 | self.updateGuiValues() |
---|
[fa81e94] | 730 | if message: |
---|
[6da860a] | 731 | logger.info(message) |
---|
[98485fe] | 732 | if self.isBatch: |
---|
| 733 | self.acceptAlpha() |
---|
| 734 | self.acceptNoTerms() |
---|
| 735 | self.startThread() |
---|
[fa81e94] | 736 | |
---|
[f1ec901] | 737 | def _calculateCompleted(self, out, cov, pr, elapsed): |
---|
| 738 | ''' Send a signal to the main thread for model update''' |
---|
| 739 | self.calculateSignal.emit((out, cov, pr, elapsed)) |
---|
| 740 | |
---|
| 741 | def _calculateUpdate(self, output_tuple): |
---|
[fa81e94] | 742 | """ |
---|
| 743 | Method called with the results when the inversion is done |
---|
| 744 | |
---|
| 745 | :param out: output coefficient for the base functions |
---|
| 746 | :param cov: covariance matrix |
---|
| 747 | :param pr: Invertor instance |
---|
| 748 | :param elapsed: time spent computing |
---|
| 749 | """ |
---|
[f1ec901] | 750 | out, cov, pr, elapsed = output_tuple |
---|
[fa81e94] | 751 | # Save useful info |
---|
| 752 | cov = np.ascontiguousarray(cov) |
---|
| 753 | pr.cov = cov |
---|
| 754 | pr.out = out |
---|
| 755 | pr.elapsed = elapsed |
---|
| 756 | |
---|
| 757 | # Save Pr invertor |
---|
| 758 | self._calculator = pr |
---|
[f1ec901] | 759 | |
---|
[318b353e] | 760 | # Update P(r) and fit plots |
---|
[ae34d30] | 761 | self.prPlot = self.logic.newPRPlot(out, self._calculator, cov) |
---|
| 762 | self.prPlot.filename = self.logic.data.filename |
---|
| 763 | self.dataPlot = self.logic.new1DPlot(out, self._calculator) |
---|
| 764 | self.dataPlot.filename = self.logic.data.filename |
---|
[318b353e] | 765 | |
---|
| 766 | # Udpate internals and GUI |
---|
[e51e078] | 767 | self.updateDataList(self._data) |
---|
[98485fe] | 768 | if self.isBatch: |
---|
| 769 | self.batchComplete.append(self.dataList.currentIndex()) |
---|
| 770 | self.startNextBatchItem() |
---|
[72ecbdf2] | 771 | else: |
---|
| 772 | self.isCalculating = False |
---|
| 773 | self.updateGuiValues() |
---|
[fa81e94] | 774 | |
---|
| 775 | def _threadError(self, error): |
---|
| 776 | """ |
---|
| 777 | Call-back method for calculation errors |
---|
| 778 | """ |
---|
[6da860a] | 779 | logger.error(error) |
---|