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