[a3c4217] | 1 | """ |
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| 2 | This module provides the intelligence behind the gui interface for Corfunc. |
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| 3 | """ |
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[be6f7af] | 4 | # pylint: disable=E1101 |
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| 5 | |
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[6d96bf9] | 6 | # global |
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| 7 | from PyQt4 import QtCore |
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| 8 | from PyQt4 import QtGui |
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| 9 | |
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| 10 | # sas-global |
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[a3c4217] | 11 | # pylint: disable=import-error, no-name-in-module |
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[6d96bf9] | 12 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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[b2c8aef] | 13 | from sas.sascalc.corfunc.corfunc_calculator import CorfuncCalculator |
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[a3c4217] | 14 | # pylint: enable=import-error, no-name-in-module |
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[6d96bf9] | 15 | |
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| 16 | # local |
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| 17 | from UI.CorfuncPanel import Ui_CorfuncDialog |
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[59183b7] | 18 | from CorfuncUtils import WIDGETS as W |
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[6d96bf9] | 19 | |
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[7be7136] | 20 | from matplotlib.backends.backend_qt4agg import FigureCanvasQTAgg \ |
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| 21 | as FigureCanvas |
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[22e6043] | 22 | from matplotlib.figure import Figure |
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| 23 | |
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| 24 | |
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| 25 | class MyMplCanvas(FigureCanvas): |
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| 26 | """Ultimately, this is a QWidget (as well as a FigureCanvasAgg, etc.).""" |
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[7be7136] | 27 | def __init__(self, model, width=5, height=4, dpi=100): |
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[cadd595a] | 28 | self.model = model |
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[22e6043] | 29 | self.fig = Figure(figsize=(width, height), dpi=dpi) |
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| 30 | self.axes = self.fig.add_subplot(111) |
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| 31 | |
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| 32 | FigureCanvas.__init__(self, self.fig) |
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| 33 | |
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[f159d1b] | 34 | self.data = None |
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| 35 | self.extrap = None |
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| 36 | |
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[7be7136] | 37 | def draw_q_space(self): |
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[be6f7af] | 38 | """Draw the Q space data in the plot window |
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| 39 | |
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| 40 | This draws the q space data in self.data, as well |
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| 41 | as the bounds set by self.qmin, self.qmax1, and self.qmax2. |
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| 42 | It will also plot the extrpolation in self.extrap, if it exists.""" |
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| 43 | |
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[f159d1b] | 44 | self.fig.clf() |
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| 45 | |
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| 46 | self.axes = self.fig.add_subplot(111) |
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| 47 | self.axes.set_xscale("log") |
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| 48 | self.axes.set_yscale("log") |
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| 49 | |
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[cadd595a] | 50 | qmin = float(self.model.item(W.W_QMIN).text()) |
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| 51 | qmax1 = float(self.model.item(W.W_QMAX).text()) |
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| 52 | qmax2 = float(self.model.item(W.W_QCUTOFF).text()) |
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| 53 | |
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[f159d1b] | 54 | if self.data: |
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| 55 | self.axes.plot(self.data.x, self.data.y) |
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[cadd595a] | 56 | self.axes.axvline(qmin) |
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| 57 | self.axes.axvline(qmax1) |
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| 58 | self.axes.axvline(qmax2) |
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[a3c4217] | 59 | self.axes.set_xlim(min(self.data.x) / 2, |
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| 60 | max(self.data.x) * 1.5 - 0.5 * min(self.data.x)) |
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[f159d1b] | 61 | if self.extrap: |
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| 62 | self.axes.plot(self.extrap.x, self.extrap.y) |
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| 63 | |
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| 64 | self.draw() |
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| 65 | |
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[ff8cb73] | 66 | def draw_real_space(self): |
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[be6f7af] | 67 | """ |
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| 68 | This function draws the real space data onto the plot |
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| 69 | |
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| 70 | The 1d correlation function in self.data, the 3d correlation function |
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| 71 | in self.data3, and the interface distribution function in self.data_idf |
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| 72 | are all draw in on the plot in linear cooredinates.""" |
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[f7b73d5] | 73 | self.fig.clf() |
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| 74 | |
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| 75 | self.axes = self.fig.add_subplot(111) |
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| 76 | self.axes.set_xscale("linear") |
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| 77 | self.axes.set_yscale("linear") |
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| 78 | |
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| 79 | if self.data: |
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[a3c4217] | 80 | data1, data3, data_idf = self.data |
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| 81 | self.axes.plot(data1.x, data1.y, label="1D Correlation") |
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| 82 | self.axes.plot(data3.x, data3.y, label="3D Correlation") |
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| 83 | self.axes.plot(data_idf.x, data_idf.y, |
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[7be7136] | 84 | label="Interface Distribution Function") |
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[a3c4217] | 85 | self.axes.set_xlim(min(data1.x), max(data1.x) / 4) |
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[ff8cb73] | 86 | self.axes.legend() |
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[f7b73d5] | 87 | |
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| 88 | self.draw() |
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[22e6043] | 89 | |
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[f159d1b] | 90 | |
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[6d96bf9] | 91 | class CorfuncWindow(QtGui.QDialog, Ui_CorfuncDialog): |
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[be6f7af] | 92 | """Displays the correlation function analysis of sas data.""" |
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[7be7136] | 93 | name = "Corfunc" # For displaying in the combo box |
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| 94 | |
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[b320813] | 95 | trigger = QtCore.pyqtSignal(tuple) |
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[505357a] | 96 | |
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[a3c4217] | 97 | # pylint: disable=unused-argument |
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[6d96bf9] | 98 | def __init__(self, parent=None): |
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| 99 | super(CorfuncWindow, self).__init__() |
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| 100 | self.setupUi(self) |
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| 101 | |
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| 102 | self.setWindowTitle("Corfunc Perspective") |
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| 103 | |
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[be6f7af] | 104 | self.mapper = None |
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[59183b7] | 105 | self.model = QtGui.QStandardItemModel(self) |
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[6d96bf9] | 106 | self.communicate = GuiUtils.Communicate() |
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[b2c8aef] | 107 | self._calculator = CorfuncCalculator() |
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[be6f7af] | 108 | self._allow_close = True |
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[6d96bf9] | 109 | |
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[7be7136] | 110 | self._canvas = MyMplCanvas(self.model) |
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| 111 | self._realplot = MyMplCanvas(self.model) |
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[e4a3302] | 112 | self.verticalLayout_7.insertWidget(0, self._canvas) |
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[f7b73d5] | 113 | self.verticalLayout_7.insertWidget(1, self._realplot) |
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[22e6043] | 114 | |
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[59183b7] | 115 | # Connect buttons to slots. |
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| 116 | # Needs to be done early so default values propagate properly. |
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[7be7136] | 117 | self.setup_slots() |
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[59183b7] | 118 | |
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| 119 | # Set up the model. |
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[7be7136] | 120 | self.setup_model() |
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[59183b7] | 121 | |
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| 122 | # Set up the mapper |
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[7be7136] | 123 | self.setup_mapper() |
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[59183b7] | 124 | |
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[7be7136] | 125 | def setup_slots(self): |
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[be6f7af] | 126 | """Connect the buttons to their appropriate slots.""" |
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[7b536da] | 127 | self.extrapolateBtn.clicked.connect(self.extrapolate) |
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[7d6dd6f] | 128 | self.extrapolateBtn.setEnabled(False) |
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[f7b73d5] | 129 | self.transformBtn.clicked.connect(self.transform) |
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[7d6dd6f] | 130 | self.transformBtn.setEnabled(False) |
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[59183b7] | 131 | |
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[be6f7af] | 132 | self.calculateBgBtn.clicked.connect(self.calculate_background) |
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[7d6dd6f] | 133 | self.calculateBgBtn.setEnabled(False) |
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[b2c8aef] | 134 | |
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[be6f7af] | 135 | self.model.itemChanged.connect(self.model_changed) |
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[b2c8aef] | 136 | |
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[505357a] | 137 | self.trigger.connect(self.finish_transform) |
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| 138 | |
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[7be7136] | 139 | def setup_model(self): |
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[be6f7af] | 140 | """Populate the model with default data.""" |
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[59183b7] | 141 | self.model.setItem(W.W_QMIN, |
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[1bb879d] | 142 | QtGui.QStandardItem("0.01")) |
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[59183b7] | 143 | self.model.setItem(W.W_QMAX, |
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[1bb879d] | 144 | QtGui.QStandardItem("0.20")) |
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[59183b7] | 145 | self.model.setItem(W.W_QCUTOFF, |
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[1bb879d] | 146 | QtGui.QStandardItem("0.22")) |
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[59183b7] | 147 | self.model.setItem(W.W_BACKGROUND, |
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| 148 | QtGui.QStandardItem("0")) |
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| 149 | self.model.setItem(W.W_TRANSFORM, |
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| 150 | QtGui.QStandardItem("Fourier")) |
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[e4a3302] | 151 | self.model.setItem(W.W_GUINIERA, |
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| 152 | QtGui.QStandardItem("0.0")) |
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| 153 | self.model.setItem(W.W_GUINIERB, |
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| 154 | QtGui.QStandardItem("0.0")) |
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| 155 | self.model.setItem(W.W_PORODK, |
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| 156 | QtGui.QStandardItem("0.0")) |
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| 157 | self.model.setItem(W.W_PORODSIGMA, |
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| 158 | QtGui.QStandardItem("0.0")) |
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[9634f86] | 159 | self.model.setItem(W.W_CORETHICK, QtGui.QStandardItem(str(0))) |
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| 160 | self.model.setItem(W.W_INTTHICK, QtGui.QStandardItem(str(0))) |
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| 161 | self.model.setItem(W.W_HARDBLOCK, QtGui.QStandardItem(str(0))) |
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| 162 | self.model.setItem(W.W_CRYSTAL, QtGui.QStandardItem(str(0))) |
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| 163 | self.model.setItem(W.W_POLY, QtGui.QStandardItem(str(0))) |
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| 164 | self.model.setItem(W.W_PERIOD, QtGui.QStandardItem(str(0))) |
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[59183b7] | 165 | |
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[be6f7af] | 166 | def model_changed(self, _): |
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| 167 | """Actions to perform when the data is updated""" |
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| 168 | if not self.mapper: |
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| 169 | return |
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[e4a3302] | 170 | self.mapper.toFirst() |
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[7be7136] | 171 | self._canvas.draw_q_space() |
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[f159d1b] | 172 | |
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[7b21c05] | 173 | def _update_calculator(self): |
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| 174 | self._calculator.lowerq = float(self.model.item(W.W_QMIN).text()) |
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| 175 | qmax1 = float(self.model.item(W.W_QMAX).text()) |
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| 176 | qmax2 = float(self.model.item(W.W_QCUTOFF).text()) |
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| 177 | self._calculator.upperq = (qmax1, qmax2) |
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[7be7136] | 178 | self._calculator.background = \ |
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| 179 | float(self.model.item(W.W_BACKGROUND).text()) |
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[b2c8aef] | 180 | |
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[7b536da] | 181 | def extrapolate(self): |
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[be6f7af] | 182 | """Extend the experiemntal data with guinier and porod curves.""" |
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[cadd595a] | 183 | self._update_calculator() |
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[7be7136] | 184 | params, extrapolation, _ = self._calculator.compute_extrapolation() |
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[e4a3302] | 185 | |
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| 186 | self.model.setItem(W.W_GUINIERA, QtGui.QStandardItem(str(params['A']))) |
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| 187 | self.model.setItem(W.W_GUINIERB, QtGui.QStandardItem(str(params['B']))) |
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| 188 | self.model.setItem(W.W_PORODK, QtGui.QStandardItem(str(params['K']))) |
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[7be7136] | 189 | self.model.setItem(W.W_PORODSIGMA, |
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| 190 | QtGui.QStandardItem(str(params['sigma']))) |
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[e4a3302] | 191 | |
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[f159d1b] | 192 | self._canvas.extrap = extrapolation |
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[7be7136] | 193 | self._canvas.draw_q_space() |
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[7d6dd6f] | 194 | self.transformBtn.setEnabled(True) |
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[7b536da] | 195 | |
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[f7b73d5] | 196 | def transform(self): |
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[be6f7af] | 197 | """Calculate the real space version of the extrapolation.""" |
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[6930b91] | 198 | method = str(self.model.item(W.W_TRANSFORM).text()).lower() |
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[f7b73d5] | 199 | |
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| 200 | extrap = self._canvas.extrap |
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[be6f7af] | 201 | background = float(self.model.item(W.W_BACKGROUND).text()) |
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[7be7136] | 202 | |
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[be6f7af] | 203 | def updatefn(msg): |
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| 204 | """Report progress of transformation.""" |
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| 205 | self.communicate.statusBarUpdateSignal.emit(msg) |
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[f7b73d5] | 206 | |
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[ff8cb73] | 207 | def completefn(transforms): |
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[be6f7af] | 208 | """Extract the values from the transforms and plot""" |
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[505357a] | 209 | self.trigger.emit(transforms) |
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[f7b73d5] | 210 | |
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[cadd595a] | 211 | self._update_calculator() |
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[be6f7af] | 212 | self._calculator.compute_transform(extrap, method, background, |
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[7be7136] | 213 | completefn, updatefn) |
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[505357a] | 214 | |
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| 215 | |
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| 216 | def finish_transform(self, transforms): |
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| 217 | params = self._calculator.extract_parameters(transforms[0]) |
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| 218 | self.model.setItem(W.W_CORETHICK, |
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| 219 | QtGui.QStandardItem(str(params['d0']))) |
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| 220 | self.model.setItem(W.W_INTTHICK, |
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| 221 | QtGui.QStandardItem(str(params['dtr']))) |
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| 222 | self.model.setItem(W.W_HARDBLOCK, |
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| 223 | QtGui.QStandardItem(str(params['Lc']))) |
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| 224 | self.model.setItem(W.W_CRYSTAL, |
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| 225 | QtGui.QStandardItem(str(params['fill']))) |
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| 226 | self.model.setItem(W.W_POLY, |
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| 227 | QtGui.QStandardItem(str(params['A']))) |
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| 228 | self.model.setItem(W.W_PERIOD, |
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| 229 | QtGui.QStandardItem(str(params['max']))) |
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| 230 | self._realplot.data = transforms |
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| 231 | self._realplot.draw_real_space() |
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[f7b73d5] | 232 | |
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[7be7136] | 233 | def setup_mapper(self): |
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[be6f7af] | 234 | """Creating mapping between model and gui elements.""" |
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[59183b7] | 235 | self.mapper = QtGui.QDataWidgetMapper(self) |
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| 236 | self.mapper.setOrientation(QtCore.Qt.Vertical) |
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| 237 | self.mapper.setModel(self.model) |
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| 238 | |
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| 239 | self.mapper.addMapping(self.qMin, W.W_QMIN) |
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| 240 | self.mapper.addMapping(self.qMax1, W.W_QMAX) |
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| 241 | self.mapper.addMapping(self.qMax2, W.W_QCUTOFF) |
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| 242 | self.mapper.addMapping(self.bg, W.W_BACKGROUND) |
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[6930b91] | 243 | self.mapper.addMapping(self.transformCombo, W.W_TRANSFORM) |
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[59183b7] | 244 | |
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[e4a3302] | 245 | self.mapper.addMapping(self.guinierA, W.W_GUINIERA) |
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| 246 | self.mapper.addMapping(self.guinierB, W.W_GUINIERB) |
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| 247 | self.mapper.addMapping(self.porodK, W.W_PORODK) |
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| 248 | self.mapper.addMapping(self.porodSigma, W.W_PORODSIGMA) |
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| 249 | |
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[9634f86] | 250 | self.mapper.addMapping(self.avgCoreThick, W.W_CORETHICK) |
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| 251 | self.mapper.addMapping(self.avgIntThick, W.W_INTTHICK) |
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| 252 | self.mapper.addMapping(self.avgHardBlock, W.W_HARDBLOCK) |
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| 253 | self.mapper.addMapping(self.polydisp, W.W_POLY) |
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| 254 | self.mapper.addMapping(self.longPeriod, W.W_PERIOD) |
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| 255 | self.mapper.addMapping(self.localCrystal, W.W_CRYSTAL) |
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| 256 | |
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[59183b7] | 257 | self.mapper.toFirst() |
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| 258 | |
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[be6f7af] | 259 | def calculate_background(self): |
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| 260 | """Find a good estimate of the background value.""" |
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[cadd595a] | 261 | self._update_calculator() |
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[be6f7af] | 262 | background = self._calculator.compute_background() |
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| 263 | temp = QtGui.QStandardItem(str(background)) |
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[e4a3302] | 264 | self.model.setItem(W.W_BACKGROUND, temp) |
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[59183b7] | 265 | |
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[a3c4217] | 266 | # pylint: disable=invalid-name |
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| 267 | @staticmethod |
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| 268 | def allowBatch(): |
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[6d96bf9] | 269 | """ |
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| 270 | We cannot perform corfunc analysis in batch at this time. |
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| 271 | """ |
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| 272 | return False |
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| 273 | |
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| 274 | def setData(self, data_item, is_batch=False): |
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| 275 | """ |
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| 276 | Obtain a QStandardItem object and dissect it to get Data1D/2D |
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| 277 | Pass it over to the calculator |
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| 278 | """ |
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| 279 | if not isinstance(data_item, list): |
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| 280 | msg = "Incorrect type passed to the Corfunc Perpsective" |
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| 281 | raise AttributeError(msg) |
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| 282 | |
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| 283 | if not isinstance(data_item[0], QtGui.QStandardItem): |
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| 284 | msg = "Incorrect type passed to the Corfunc Perspective" |
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| 285 | raise AttributeError(msg) |
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| 286 | |
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[be6f7af] | 287 | model_item = data_item[0] |
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| 288 | data = GuiUtils.dataFromItem(model_item) |
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[b2c8aef] | 289 | self._calculator.set_data(data) |
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[7d6dd6f] | 290 | self.calculateBgBtn.setEnabled(True) |
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| 291 | self.extrapolateBtn.setEnabled(True) |
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[6d96bf9] | 292 | |
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[39d7f74] | 293 | self.model.setItem(W.W_GUINIERA, QtGui.QStandardItem("")) |
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| 294 | self.model.setItem(W.W_GUINIERB, QtGui.QStandardItem("")) |
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| 295 | self.model.setItem(W.W_PORODK, QtGui.QStandardItem("")) |
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| 296 | self.model.setItem(W.W_PORODSIGMA, QtGui.QStandardItem("")) |
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| 297 | self.model.setItem(W.W_CORETHICK, QtGui.QStandardItem("")) |
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| 298 | self.model.setItem(W.W_INTTHICK, QtGui.QStandardItem("")) |
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| 299 | self.model.setItem(W.W_HARDBLOCK, QtGui.QStandardItem("")) |
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| 300 | self.model.setItem(W.W_CRYSTAL, QtGui.QStandardItem("")) |
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| 301 | self.model.setItem(W.W_POLY, QtGui.QStandardItem("")) |
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| 302 | self.model.setItem(W.W_PERIOD, QtGui.QStandardItem("")) |
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| 303 | |
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[f159d1b] | 304 | self._canvas.data = data |
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[39d7f74] | 305 | self._canvas.extrap = None |
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[7be7136] | 306 | self._canvas.draw_q_space() |
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[39d7f74] | 307 | self.transformBtn.setEnabled(False) |
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[22e6043] | 308 | |
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[39d7f74] | 309 | self._realplot.data = None |
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| 310 | self._realplot.draw_real_space() |
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[6d96bf9] | 311 | |
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| 312 | def setClosable(self, value=True): |
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| 313 | """ |
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| 314 | Allow outsiders close this widget |
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| 315 | """ |
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| 316 | assert isinstance(value, bool) |
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| 317 | |
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| 318 | self._allow_close = value |
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[ecdf172] | 319 | |
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| 320 | def title(self): |
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| 321 | """ |
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| 322 | Window title function used by certain error messages. |
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| 323 | Check DataExplorer.py, line 355 |
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| 324 | """ |
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| 325 | return "Corfunc Perspective" |
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[a3c4217] | 326 | # pylint: enable=invalid-name |
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[4a9786d8] | 327 | |
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| 328 | |
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| 329 | if __name__ == "__main__": |
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| 330 | APPLICATION = QtGui.QApplication([]) |
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| 331 | import qt4reactor |
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| 332 | qt4reactor.install() |
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| 333 | # DO NOT move the following import to the top! |
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| 334 | # (unless you know what you're doing) |
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| 335 | from twisted.internet import reactor |
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| 336 | DIALOG = CorfuncWindow(reactor) |
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| 337 | DIALOG.show() |
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| 338 | reactor.run() |
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