[d4881f6a] | 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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| 4 | # pylint: disable=E1101 |
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| 5 | |
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| 6 | # global |
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[e90988c] | 7 | from matplotlib.backends.backend_qt5agg import FigureCanvasQTAgg \ |
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| 8 | as FigureCanvas |
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| 9 | from matplotlib.figure import Figure |
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| 10 | from numpy.linalg.linalg import LinAlgError |
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| 11 | |
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[d4881f6a] | 12 | from PyQt5 import QtCore |
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| 13 | from PyQt5 import QtGui, QtWidgets |
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| 14 | |
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| 15 | # sas-global |
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| 16 | # pylint: disable=import-error, no-name-in-module |
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| 17 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
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| 18 | from sas.sascalc.corfunc.corfunc_calculator import CorfuncCalculator |
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| 19 | # pylint: enable=import-error, no-name-in-module |
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| 20 | |
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| 21 | # local |
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| 22 | from .UI.CorfuncPanel import Ui_CorfuncDialog |
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| 23 | from .CorfuncUtils import WIDGETS as W |
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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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| 28 | def __init__(self, model, width=5, height=4, dpi=100): |
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| 29 | self.model = model |
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| 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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| 35 | self.data = None |
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| 36 | self.extrap = None |
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| 37 | |
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| 38 | def draw_q_space(self): |
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| 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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[cb4d219] | 45 | # TODO: add interactivity to axvlines so qlimits are immediately updated! |
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[d4881f6a] | 46 | self.fig.clf() |
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| 47 | |
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| 48 | self.axes = self.fig.add_subplot(111) |
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| 49 | self.axes.set_xscale("log") |
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| 50 | self.axes.set_yscale("log") |
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| 51 | |
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| 52 | qmin = float(self.model.item(W.W_QMIN).text()) |
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| 53 | qmax1 = float(self.model.item(W.W_QMAX).text()) |
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| 54 | qmax2 = float(self.model.item(W.W_QCUTOFF).text()) |
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| 55 | |
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| 56 | if self.data: |
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| 57 | self.axes.plot(self.data.x, self.data.y) |
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| 58 | self.axes.axvline(qmin) |
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| 59 | self.axes.axvline(qmax1) |
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| 60 | self.axes.axvline(qmax2) |
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| 61 | self.axes.set_xlim(min(self.data.x) / 2, |
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| 62 | max(self.data.x) * 1.5 - 0.5 * min(self.data.x)) |
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| 63 | if self.extrap: |
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| 64 | self.axes.plot(self.extrap.x, self.extrap.y) |
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| 65 | |
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| 66 | self.draw() |
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| 67 | |
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| 68 | def draw_real_space(self): |
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| 69 | """ |
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| 70 | This function draws the real space data onto the plot |
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| 71 | |
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| 72 | The 1d correlation function in self.data, the 3d correlation function |
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| 73 | in self.data3, and the interface distribution function in self.data_idf |
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| 74 | are all draw in on the plot in linear cooredinates.""" |
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| 75 | self.fig.clf() |
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| 76 | |
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| 77 | self.axes = self.fig.add_subplot(111) |
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| 78 | self.axes.set_xscale("linear") |
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| 79 | self.axes.set_yscale("linear") |
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| 80 | |
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| 81 | if self.data: |
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| 82 | data1, data3, data_idf = self.data |
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| 83 | self.axes.plot(data1.x, data1.y, label="1D Correlation") |
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| 84 | self.axes.plot(data3.x, data3.y, label="3D Correlation") |
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| 85 | self.axes.plot(data_idf.x, data_idf.y, |
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| 86 | label="Interface Distribution Function") |
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| 87 | self.axes.set_xlim(min(data1.x), max(data1.x) / 4) |
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| 88 | self.axes.legend() |
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| 89 | |
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| 90 | self.draw() |
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| 91 | |
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| 92 | |
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| 93 | class CorfuncWindow(QtWidgets.QDialog, Ui_CorfuncDialog): |
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| 94 | """Displays the correlation function analysis of sas data.""" |
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| 95 | name = "Corfunc" # For displaying in the combo box |
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| 96 | |
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| 97 | trigger = QtCore.pyqtSignal(tuple) |
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| 98 | |
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| 99 | # pylint: disable=unused-argument |
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| 100 | def __init__(self, parent=None): |
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| 101 | super(CorfuncWindow, self).__init__() |
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| 102 | self.setupUi(self) |
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| 103 | |
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| 104 | self.setWindowTitle("Corfunc Perspective") |
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| 105 | |
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[cb4d219] | 106 | self.parent = parent |
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[d4881f6a] | 107 | self.mapper = None |
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| 108 | self.model = QtGui.QStandardItemModel(self) |
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| 109 | self.communicate = GuiUtils.Communicate() |
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| 110 | self._calculator = CorfuncCalculator() |
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[e9359e0a] | 111 | self._allow_close = False |
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[cb4d219] | 112 | self._model_item = None |
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| 113 | self.txtLowerQMin.setText("0.0") |
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| 114 | self.txtLowerQMin.setEnabled(False) |
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[d4881f6a] | 115 | |
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| 116 | self._canvas = MyMplCanvas(self.model) |
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[cb4d219] | 117 | self.mainVerticalLayout.insertWidget(0, self._canvas) |
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[d4881f6a] | 118 | |
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| 119 | # Connect buttons to slots. |
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| 120 | # Needs to be done early so default values propagate properly. |
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| 121 | self.setup_slots() |
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| 122 | |
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| 123 | # Set up the model. |
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| 124 | self.setup_model() |
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| 125 | |
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[42d79fc] | 126 | #Disable reporting results |
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| 127 | self.parent._workspace.actionReport.setEnabled(False) |
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| 128 | |
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[d4881f6a] | 129 | # Set up the mapper |
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| 130 | self.setup_mapper() |
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| 131 | |
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| 132 | def setup_slots(self): |
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| 133 | """Connect the buttons to their appropriate slots.""" |
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[cb4d219] | 134 | self.cmdExtrapolate.clicked.connect(self.extrapolate) |
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| 135 | self.cmdExtrapolate.setEnabled(False) |
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| 136 | self.cmdTransform.clicked.connect(self.transform) |
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| 137 | self.cmdTransform.setEnabled(False) |
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[d4881f6a] | 138 | |
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[cb4d219] | 139 | self.cmdCalculateBg.clicked.connect(self.calculate_background) |
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| 140 | self.cmdCalculateBg.setEnabled(False) |
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[e90988c] | 141 | self.cmdHelp.clicked.connect(self.showHelp) |
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[d4881f6a] | 142 | |
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| 143 | self.model.itemChanged.connect(self.model_changed) |
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| 144 | |
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| 145 | self.trigger.connect(self.finish_transform) |
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| 146 | |
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| 147 | def setup_model(self): |
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| 148 | """Populate the model with default data.""" |
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| 149 | self.model.setItem(W.W_QMIN, |
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| 150 | QtGui.QStandardItem("0.01")) |
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| 151 | self.model.setItem(W.W_QMAX, |
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| 152 | QtGui.QStandardItem("0.20")) |
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| 153 | self.model.setItem(W.W_QCUTOFF, |
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| 154 | QtGui.QStandardItem("0.22")) |
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| 155 | self.model.setItem(W.W_BACKGROUND, |
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| 156 | QtGui.QStandardItem("0")) |
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[cb4d219] | 157 | #self.model.setItem(W.W_TRANSFORM, |
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| 158 | # QtGui.QStandardItem("Fourier")) |
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[d4881f6a] | 159 | self.model.setItem(W.W_GUINIERA, |
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| 160 | QtGui.QStandardItem("0.0")) |
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| 161 | self.model.setItem(W.W_GUINIERB, |
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| 162 | QtGui.QStandardItem("0.0")) |
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| 163 | self.model.setItem(W.W_PORODK, |
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| 164 | QtGui.QStandardItem("0.0")) |
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| 165 | self.model.setItem(W.W_PORODSIGMA, |
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| 166 | QtGui.QStandardItem("0.0")) |
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| 167 | self.model.setItem(W.W_CORETHICK, QtGui.QStandardItem(str(0))) |
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| 168 | self.model.setItem(W.W_INTTHICK, QtGui.QStandardItem(str(0))) |
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| 169 | self.model.setItem(W.W_HARDBLOCK, QtGui.QStandardItem(str(0))) |
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| 170 | self.model.setItem(W.W_CRYSTAL, QtGui.QStandardItem(str(0))) |
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| 171 | self.model.setItem(W.W_POLY, QtGui.QStandardItem(str(0))) |
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| 172 | self.model.setItem(W.W_PERIOD, QtGui.QStandardItem(str(0))) |
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| 173 | |
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| 174 | def model_changed(self, _): |
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| 175 | """Actions to perform when the data is updated""" |
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| 176 | if not self.mapper: |
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| 177 | return |
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| 178 | self.mapper.toFirst() |
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| 179 | self._canvas.draw_q_space() |
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| 180 | |
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| 181 | def _update_calculator(self): |
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| 182 | self._calculator.lowerq = float(self.model.item(W.W_QMIN).text()) |
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| 183 | qmax1 = float(self.model.item(W.W_QMAX).text()) |
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| 184 | qmax2 = float(self.model.item(W.W_QCUTOFF).text()) |
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| 185 | self._calculator.upperq = (qmax1, qmax2) |
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| 186 | self._calculator.background = \ |
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| 187 | float(self.model.item(W.W_BACKGROUND).text()) |
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| 188 | |
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| 189 | def extrapolate(self): |
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| 190 | """Extend the experiemntal data with guinier and porod curves.""" |
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| 191 | self._update_calculator() |
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| 192 | try: |
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| 193 | params, extrapolation, _ = self._calculator.compute_extrapolation() |
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[cb4d219] | 194 | self.model.setItem(W.W_GUINIERA, QtGui.QStandardItem("{:.3g}".format(params['A']))) |
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| 195 | self.model.setItem(W.W_GUINIERB, QtGui.QStandardItem("{:.3g}".format(params['B']))) |
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| 196 | self.model.setItem(W.W_PORODK, QtGui.QStandardItem("{:.3g}".format(params['K']))) |
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[d4881f6a] | 197 | self.model.setItem(W.W_PORODSIGMA, |
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[cb4d219] | 198 | QtGui.QStandardItem("{:.4g}".format(params['sigma']))) |
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[d4881f6a] | 199 | |
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| 200 | self._canvas.extrap = extrapolation |
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| 201 | self._canvas.draw_q_space() |
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[cb4d219] | 202 | self.cmdTransform.setEnabled(True) |
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[d4881f6a] | 203 | except (LinAlgError, ValueError): |
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| 204 | message = "These is not enough data in the fitting range. "\ |
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| 205 | "Try decreasing the upper Q, increasing the "\ |
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| 206 | "cutoff Q, or increasing the lower Q." |
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| 207 | QtWidgets.QMessageBox.warning(self, "Calculation Error", |
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| 208 | message) |
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| 209 | self._canvas.extrap = None |
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| 210 | self._canvas.draw_q_space() |
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| 211 | |
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| 212 | |
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| 213 | def transform(self): |
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| 214 | """Calculate the real space version of the extrapolation.""" |
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[cb4d219] | 215 | #method = self.model.item(W.W_TRANSFORM).text().lower() |
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| 216 | |
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| 217 | method = "fourier" |
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[d4881f6a] | 218 | |
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| 219 | extrap = self._canvas.extrap |
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| 220 | background = float(self.model.item(W.W_BACKGROUND).text()) |
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| 221 | |
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| 222 | def updatefn(msg): |
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| 223 | """Report progress of transformation.""" |
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| 224 | self.communicate.statusBarUpdateSignal.emit(msg) |
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| 225 | |
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| 226 | def completefn(transforms): |
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| 227 | """Extract the values from the transforms and plot""" |
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| 228 | self.trigger.emit(transforms) |
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| 229 | |
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| 230 | self._update_calculator() |
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| 231 | self._calculator.compute_transform(extrap, method, background, |
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| 232 | completefn, updatefn) |
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| 233 | |
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| 234 | |
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| 235 | def finish_transform(self, transforms): |
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| 236 | params = self._calculator.extract_parameters(transforms[0]) |
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[cb4d219] | 237 | self.model.setItem(W.W_CORETHICK, QtGui.QStandardItem("{:.3g}".format(params['d0']))) |
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| 238 | self.model.setItem(W.W_INTTHICK, QtGui.QStandardItem("{:.3g}".format(params['dtr']))) |
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| 239 | self.model.setItem(W.W_HARDBLOCK, QtGui.QStandardItem("{:.3g}".format(params['Lc']))) |
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| 240 | self.model.setItem(W.W_CRYSTAL, QtGui.QStandardItem("{:.3g}".format(params['fill']))) |
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| 241 | self.model.setItem(W.W_POLY, QtGui.QStandardItem("{:.3g}".format(params['A']))) |
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| 242 | self.model.setItem(W.W_PERIOD, QtGui.QStandardItem("{:.3g}".format(params['max']))) |
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| 243 | #self._realplot.data = transforms |
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| 244 | |
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| 245 | self.update_real_space_plot(transforms) |
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| 246 | |
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| 247 | #self._realplot.draw_real_space() |
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| 248 | |
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| 249 | def update_real_space_plot(self, datas): |
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| 250 | """take the datas tuple and create a plot in DE""" |
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| 251 | |
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| 252 | assert isinstance(datas, tuple) |
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| 253 | plot_id = id(self) |
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| 254 | titles = ['1D Correlation', '3D Correlation', 'Interface Distribution Function'] |
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| 255 | for i, plot in enumerate(datas): |
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| 256 | plot_to_add = self.parent.createGuiData(plot) |
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| 257 | # set plot properties |
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| 258 | title = plot_to_add.title |
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| 259 | plot_to_add.scale = 'linear' |
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| 260 | plot_to_add.symbol = 'Line' |
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| 261 | plot_to_add._xaxis = "x" |
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| 262 | plot_to_add._xunit = "A" |
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| 263 | plot_to_add._yaxis = "\Gamma" |
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| 264 | if i < len(titles): |
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| 265 | title = titles[i] |
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| 266 | plot_to_add.name = titles[i] |
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| 267 | GuiUtils.updateModelItemWithPlot(self._model_item, plot_to_add, title) |
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| 268 | #self.axes.set_xlim(min(data1.x), max(data1.x) / 4) |
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| 269 | pass |
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[d4881f6a] | 270 | |
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| 271 | def setup_mapper(self): |
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| 272 | """Creating mapping between model and gui elements.""" |
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| 273 | self.mapper = QtWidgets.QDataWidgetMapper(self) |
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| 274 | self.mapper.setOrientation(QtCore.Qt.Vertical) |
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| 275 | self.mapper.setModel(self.model) |
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| 276 | |
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[cb4d219] | 277 | self.mapper.addMapping(self.txtLowerQMax, W.W_QMIN) |
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| 278 | self.mapper.addMapping(self.txtUpperQMin, W.W_QMAX) |
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| 279 | self.mapper.addMapping(self.txtUpperQMax, W.W_QCUTOFF) |
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| 280 | self.mapper.addMapping(self.txtBackground, W.W_BACKGROUND) |
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| 281 | #self.mapper.addMapping(self.transformCombo, W.W_TRANSFORM) |
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[d4881f6a] | 282 | |
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[cb4d219] | 283 | self.mapper.addMapping(self.txtGuinierA, W.W_GUINIERA) |
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| 284 | self.mapper.addMapping(self.txtGuinierB, W.W_GUINIERB) |
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| 285 | self.mapper.addMapping(self.txtPorodK, W.W_PORODK) |
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| 286 | self.mapper.addMapping(self.txtPorodSigma, W.W_PORODSIGMA) |
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[d4881f6a] | 287 | |
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[cb4d219] | 288 | self.mapper.addMapping(self.txtAvgCoreThick, W.W_CORETHICK) |
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| 289 | self.mapper.addMapping(self.txtAvgIntThick, W.W_INTTHICK) |
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| 290 | self.mapper.addMapping(self.txtAvgHardBlock, W.W_HARDBLOCK) |
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| 291 | self.mapper.addMapping(self.txtPolydisp, W.W_POLY) |
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| 292 | self.mapper.addMapping(self.txtLongPeriod, W.W_PERIOD) |
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| 293 | self.mapper.addMapping(self.txtLocalCrystal, W.W_CRYSTAL) |
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[d4881f6a] | 294 | |
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| 295 | self.mapper.toFirst() |
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| 296 | |
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| 297 | def calculate_background(self): |
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| 298 | """Find a good estimate of the background value.""" |
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| 299 | self._update_calculator() |
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| 300 | try: |
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| 301 | background = self._calculator.compute_background() |
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[cb4d219] | 302 | temp = QtGui.QStandardItem("{:.4g}".format(background)) |
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[d4881f6a] | 303 | self.model.setItem(W.W_BACKGROUND, temp) |
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| 304 | except (LinAlgError, ValueError): |
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| 305 | message = "These is not enough data in the fitting range. "\ |
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| 306 | "Try decreasing the upper Q or increasing the cutoff Q" |
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| 307 | QtWidgets.QMessageBox.warning(self, "Calculation Error", |
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| 308 | message) |
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| 309 | |
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| 310 | |
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| 311 | # pylint: disable=invalid-name |
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[e90988c] | 312 | def showHelp(self): |
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| 313 | """ |
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| 314 | Opens a webpage with help on the perspective |
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| 315 | """ |
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| 316 | """ Display help when clicking on Help button """ |
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[aed0532] | 317 | treeLocation = "/user/qtgui/Perspectives/Corfunc/corfunc_help.html" |
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[e90988c] | 318 | self.parent.showHelp(treeLocation) |
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| 319 | |
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[d4881f6a] | 320 | @staticmethod |
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| 321 | def allowBatch(): |
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| 322 | """ |
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| 323 | We cannot perform corfunc analysis in batch at this time. |
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| 324 | """ |
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| 325 | return False |
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| 326 | |
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| 327 | def setData(self, data_item, is_batch=False): |
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| 328 | """ |
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| 329 | Obtain a QStandardItem object and dissect it to get Data1D/2D |
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| 330 | Pass it over to the calculator |
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| 331 | """ |
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| 332 | if not isinstance(data_item, list): |
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| 333 | msg = "Incorrect type passed to the Corfunc Perpsective" |
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| 334 | raise AttributeError(msg) |
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| 335 | |
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| 336 | if not isinstance(data_item[0], QtGui.QStandardItem): |
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| 337 | msg = "Incorrect type passed to the Corfunc Perspective" |
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| 338 | raise AttributeError(msg) |
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| 339 | |
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| 340 | model_item = data_item[0] |
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| 341 | data = GuiUtils.dataFromItem(model_item) |
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[cb4d219] | 342 | self._model_item = model_item |
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[d4881f6a] | 343 | self._calculator.set_data(data) |
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[cb4d219] | 344 | self.cmdCalculateBg.setEnabled(True) |
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| 345 | self.cmdExtrapolate.setEnabled(True) |
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[d4881f6a] | 346 | |
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| 347 | self.model.setItem(W.W_GUINIERA, QtGui.QStandardItem("")) |
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| 348 | self.model.setItem(W.W_GUINIERB, QtGui.QStandardItem("")) |
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| 349 | self.model.setItem(W.W_PORODK, QtGui.QStandardItem("")) |
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| 350 | self.model.setItem(W.W_PORODSIGMA, QtGui.QStandardItem("")) |
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| 351 | self.model.setItem(W.W_CORETHICK, QtGui.QStandardItem("")) |
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| 352 | self.model.setItem(W.W_INTTHICK, QtGui.QStandardItem("")) |
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| 353 | self.model.setItem(W.W_HARDBLOCK, QtGui.QStandardItem("")) |
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| 354 | self.model.setItem(W.W_CRYSTAL, QtGui.QStandardItem("")) |
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| 355 | self.model.setItem(W.W_POLY, QtGui.QStandardItem("")) |
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| 356 | self.model.setItem(W.W_PERIOD, QtGui.QStandardItem("")) |
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| 357 | |
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| 358 | self._canvas.data = data |
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| 359 | self._canvas.extrap = None |
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| 360 | self._canvas.draw_q_space() |
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[cb4d219] | 361 | self.cmdTransform.setEnabled(False) |
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[d4881f6a] | 362 | |
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[cb4d219] | 363 | #self._realplot.data = None |
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| 364 | #self._realplot.draw_real_space() |
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[d4881f6a] | 365 | |
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| 366 | def setClosable(self, value=True): |
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| 367 | """ |
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| 368 | Allow outsiders close this widget |
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| 369 | """ |
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| 370 | assert isinstance(value, bool) |
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| 371 | |
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| 372 | self._allow_close = value |
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| 373 | |
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| 374 | def closeEvent(self, event): |
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| 375 | """ |
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| 376 | Overwrite QDialog close method to allow for custom widget close |
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| 377 | """ |
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| 378 | if self._allow_close: |
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| 379 | # reset the closability flag |
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| 380 | self.setClosable(value=False) |
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| 381 | # Tell the MdiArea to close the container |
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[50bfab0] | 382 | if self.parent: |
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| 383 | self.parentWidget().close() |
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[d4881f6a] | 384 | event.accept() |
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| 385 | else: |
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| 386 | event.ignore() |
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| 387 | # Maybe we should just minimize |
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| 388 | self.setWindowState(QtCore.Qt.WindowMinimized) |
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| 389 | |
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| 390 | def title(self): |
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| 391 | """ |
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| 392 | Window title function used by certain error messages. |
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| 393 | Check DataExplorer.py, line 355 |
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| 394 | """ |
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| 395 | return "Corfunc Perspective" |
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| 396 | # pylint: enable=invalid-name |
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