[be6f7af] | 1 | # pylint: disable=E1101 |
---|
| 2 | |
---|
[6d96bf9] | 3 | # global |
---|
| 4 | from PyQt4 import QtCore |
---|
| 5 | from PyQt4 import QtGui |
---|
| 6 | |
---|
| 7 | # sas-global |
---|
| 8 | import sas.qtgui.Utilities.GuiUtils as GuiUtils |
---|
[b2c8aef] | 9 | from sas.sascalc.corfunc.corfunc_calculator import CorfuncCalculator |
---|
[6d96bf9] | 10 | |
---|
| 11 | # local |
---|
| 12 | from UI.CorfuncPanel import Ui_CorfuncDialog |
---|
| 13 | # from InvariantDetails import DetailsDialog |
---|
[59183b7] | 14 | from CorfuncUtils import WIDGETS as W |
---|
[6d96bf9] | 15 | |
---|
[7be7136] | 16 | from matplotlib.backends.backend_qt4agg import FigureCanvasQTAgg \ |
---|
| 17 | as FigureCanvas |
---|
[22e6043] | 18 | from matplotlib.figure import Figure |
---|
| 19 | |
---|
| 20 | |
---|
| 21 | class MyMplCanvas(FigureCanvas): |
---|
| 22 | """Ultimately, this is a QWidget (as well as a FigureCanvasAgg, etc.).""" |
---|
[7be7136] | 23 | def __init__(self, model, width=5, height=4, dpi=100): |
---|
[cadd595a] | 24 | self.model = model |
---|
[22e6043] | 25 | self.fig = Figure(figsize=(width, height), dpi=dpi) |
---|
| 26 | self.axes = self.fig.add_subplot(111) |
---|
| 27 | |
---|
| 28 | FigureCanvas.__init__(self, self.fig) |
---|
| 29 | |
---|
[f159d1b] | 30 | self.data = None |
---|
| 31 | self.extrap = None |
---|
| 32 | |
---|
[7be7136] | 33 | def draw_q_space(self): |
---|
[be6f7af] | 34 | """Draw the Q space data in the plot window |
---|
| 35 | |
---|
| 36 | This draws the q space data in self.data, as well |
---|
| 37 | as the bounds set by self.qmin, self.qmax1, and self.qmax2. |
---|
| 38 | It will also plot the extrpolation in self.extrap, if it exists.""" |
---|
| 39 | |
---|
[f159d1b] | 40 | self.fig.clf() |
---|
| 41 | |
---|
| 42 | self.axes = self.fig.add_subplot(111) |
---|
| 43 | self.axes.set_xscale("log") |
---|
| 44 | self.axes.set_yscale("log") |
---|
| 45 | |
---|
[cadd595a] | 46 | qmin = float(self.model.item(W.W_QMIN).text()) |
---|
| 47 | qmax1 = float(self.model.item(W.W_QMAX).text()) |
---|
| 48 | qmax2 = float(self.model.item(W.W_QCUTOFF).text()) |
---|
| 49 | |
---|
[f159d1b] | 50 | if self.data: |
---|
| 51 | self.axes.plot(self.data.x, self.data.y) |
---|
[cadd595a] | 52 | self.axes.axvline(qmin) |
---|
| 53 | self.axes.axvline(qmax1) |
---|
| 54 | self.axes.axvline(qmax2) |
---|
[7be7136] | 55 | self.axes.set_xlim(min(self.data.x), max(self.data.x) * 1.5 - |
---|
| 56 | 0.5 * min(self.data.x)) |
---|
[f159d1b] | 57 | if self.extrap: |
---|
| 58 | self.axes.plot(self.extrap.x, self.extrap.y) |
---|
| 59 | |
---|
| 60 | self.draw() |
---|
| 61 | |
---|
[ff8cb73] | 62 | def draw_real_space(self): |
---|
[be6f7af] | 63 | """ |
---|
| 64 | This function draws the real space data onto the plot |
---|
| 65 | |
---|
| 66 | The 1d correlation function in self.data, the 3d correlation function |
---|
| 67 | in self.data3, and the interface distribution function in self.data_idf |
---|
| 68 | are all draw in on the plot in linear cooredinates.""" |
---|
[f7b73d5] | 69 | self.fig.clf() |
---|
| 70 | |
---|
| 71 | self.axes = self.fig.add_subplot(111) |
---|
| 72 | self.axes.set_xscale("linear") |
---|
| 73 | self.axes.set_yscale("linear") |
---|
| 74 | |
---|
| 75 | if self.data: |
---|
[ff8cb73] | 76 | self.axes.plot(self.data.x, self.data.y, label="1D Correlation") |
---|
| 77 | self.axes.plot(self.data3.x, self.data3.y, label="3D Correlation") |
---|
[7be7136] | 78 | self.axes.plot(self.data_idf.x, self.data_idf.y, |
---|
| 79 | label="Interface Distribution Function") |
---|
[ff8cb73] | 80 | self.axes.set_xlim(min(self.data.x), max(self.data.x) / 4) |
---|
| 81 | self.axes.legend() |
---|
[f7b73d5] | 82 | |
---|
| 83 | self.draw() |
---|
[22e6043] | 84 | |
---|
[f159d1b] | 85 | |
---|
[6d96bf9] | 86 | class CorfuncWindow(QtGui.QDialog, Ui_CorfuncDialog): |
---|
[be6f7af] | 87 | """Displays the correlation function analysis of sas data.""" |
---|
[7be7136] | 88 | name = "Corfunc" # For displaying in the combo box |
---|
| 89 | |
---|
[6d96bf9] | 90 | def __init__(self, parent=None): |
---|
| 91 | super(CorfuncWindow, self).__init__() |
---|
| 92 | self.setupUi(self) |
---|
| 93 | |
---|
| 94 | self.setWindowTitle("Corfunc Perspective") |
---|
| 95 | |
---|
[be6f7af] | 96 | self.mapper = None |
---|
[59183b7] | 97 | self.model = QtGui.QStandardItemModel(self) |
---|
[6d96bf9] | 98 | self.communicate = GuiUtils.Communicate() |
---|
[b2c8aef] | 99 | self._calculator = CorfuncCalculator() |
---|
[be6f7af] | 100 | self._allow_close = True |
---|
[6d96bf9] | 101 | |
---|
[7be7136] | 102 | self._canvas = MyMplCanvas(self.model) |
---|
| 103 | self._realplot = MyMplCanvas(self.model) |
---|
[e4a3302] | 104 | self.verticalLayout_7.insertWidget(0, self._canvas) |
---|
[f7b73d5] | 105 | self.verticalLayout_7.insertWidget(1, self._realplot) |
---|
[22e6043] | 106 | |
---|
[59183b7] | 107 | # Connect buttons to slots. |
---|
| 108 | # Needs to be done early so default values propagate properly. |
---|
[7be7136] | 109 | self.setup_slots() |
---|
[59183b7] | 110 | |
---|
| 111 | # Set up the model. |
---|
[7be7136] | 112 | self.setup_model() |
---|
[59183b7] | 113 | |
---|
| 114 | # Set up the mapper |
---|
[7be7136] | 115 | self.setup_mapper() |
---|
[59183b7] | 116 | |
---|
[7be7136] | 117 | def setup_slots(self): |
---|
[be6f7af] | 118 | """Connect the buttons to their appropriate slots.""" |
---|
[7b536da] | 119 | self.extrapolateBtn.clicked.connect(self.extrapolate) |
---|
[f7b73d5] | 120 | self.transformBtn.clicked.connect(self.transform) |
---|
[59183b7] | 121 | |
---|
[be6f7af] | 122 | self.calculateBgBtn.clicked.connect(self.calculate_background) |
---|
[b2c8aef] | 123 | |
---|
[be6f7af] | 124 | self.model.itemChanged.connect(self.model_changed) |
---|
[b2c8aef] | 125 | |
---|
[7be7136] | 126 | def setup_model(self): |
---|
[be6f7af] | 127 | """Populate the model with default data.""" |
---|
[59183b7] | 128 | self.model.setItem(W.W_QMIN, |
---|
[1bb879d] | 129 | QtGui.QStandardItem("0.01")) |
---|
[59183b7] | 130 | self.model.setItem(W.W_QMAX, |
---|
[1bb879d] | 131 | QtGui.QStandardItem("0.20")) |
---|
[59183b7] | 132 | self.model.setItem(W.W_QCUTOFF, |
---|
[1bb879d] | 133 | QtGui.QStandardItem("0.22")) |
---|
[59183b7] | 134 | self.model.setItem(W.W_BACKGROUND, |
---|
| 135 | QtGui.QStandardItem("0")) |
---|
| 136 | self.model.setItem(W.W_TRANSFORM, |
---|
| 137 | QtGui.QStandardItem("Fourier")) |
---|
[e4a3302] | 138 | self.model.setItem(W.W_GUINIERA, |
---|
| 139 | QtGui.QStandardItem("0.0")) |
---|
| 140 | self.model.setItem(W.W_GUINIERB, |
---|
| 141 | QtGui.QStandardItem("0.0")) |
---|
| 142 | self.model.setItem(W.W_PORODK, |
---|
| 143 | QtGui.QStandardItem("0.0")) |
---|
| 144 | self.model.setItem(W.W_PORODSIGMA, |
---|
| 145 | QtGui.QStandardItem("0.0")) |
---|
[9634f86] | 146 | self.model.setItem(W.W_CORETHICK, QtGui.QStandardItem(str(0))) |
---|
| 147 | self.model.setItem(W.W_INTTHICK, QtGui.QStandardItem(str(0))) |
---|
| 148 | self.model.setItem(W.W_HARDBLOCK, QtGui.QStandardItem(str(0))) |
---|
| 149 | self.model.setItem(W.W_CRYSTAL, QtGui.QStandardItem(str(0))) |
---|
| 150 | self.model.setItem(W.W_POLY, QtGui.QStandardItem(str(0))) |
---|
| 151 | self.model.setItem(W.W_PERIOD, QtGui.QStandardItem(str(0))) |
---|
[59183b7] | 152 | |
---|
[be6f7af] | 153 | def model_changed(self, _): |
---|
| 154 | """Actions to perform when the data is updated""" |
---|
| 155 | if not self.mapper: |
---|
| 156 | return |
---|
[e4a3302] | 157 | self.mapper.toFirst() |
---|
[7be7136] | 158 | self._canvas.draw_q_space() |
---|
[f159d1b] | 159 | |
---|
[7b21c05] | 160 | def _update_calculator(self): |
---|
| 161 | self._calculator.lowerq = float(self.model.item(W.W_QMIN).text()) |
---|
| 162 | qmax1 = float(self.model.item(W.W_QMAX).text()) |
---|
| 163 | qmax2 = float(self.model.item(W.W_QCUTOFF).text()) |
---|
| 164 | self._calculator.upperq = (qmax1, qmax2) |
---|
[7be7136] | 165 | self._calculator.background = \ |
---|
| 166 | float(self.model.item(W.W_BACKGROUND).text()) |
---|
[b2c8aef] | 167 | |
---|
[7b536da] | 168 | def extrapolate(self): |
---|
[be6f7af] | 169 | """Extend the experiemntal data with guinier and porod curves.""" |
---|
[cadd595a] | 170 | self._update_calculator() |
---|
[7be7136] | 171 | params, extrapolation, _ = self._calculator.compute_extrapolation() |
---|
[e4a3302] | 172 | |
---|
| 173 | self.model.setItem(W.W_GUINIERA, QtGui.QStandardItem(str(params['A']))) |
---|
| 174 | self.model.setItem(W.W_GUINIERB, QtGui.QStandardItem(str(params['B']))) |
---|
| 175 | self.model.setItem(W.W_PORODK, QtGui.QStandardItem(str(params['K']))) |
---|
[7be7136] | 176 | self.model.setItem(W.W_PORODSIGMA, |
---|
| 177 | QtGui.QStandardItem(str(params['sigma']))) |
---|
[e4a3302] | 178 | |
---|
[f159d1b] | 179 | self._canvas.extrap = extrapolation |
---|
[7be7136] | 180 | self._canvas.draw_q_space() |
---|
[7b536da] | 181 | |
---|
[f7b73d5] | 182 | def transform(self): |
---|
[be6f7af] | 183 | """Calculate the real space version of the extrapolation.""" |
---|
[f7b73d5] | 184 | if self.fourierBtn.isChecked(): |
---|
| 185 | method = "fourier" |
---|
| 186 | elif self.hilbertBtn.isChecked(): |
---|
| 187 | method = "hilbert" |
---|
| 188 | |
---|
| 189 | extrap = self._canvas.extrap |
---|
[be6f7af] | 190 | background = float(self.model.item(W.W_BACKGROUND).text()) |
---|
[7be7136] | 191 | |
---|
[be6f7af] | 192 | def updatefn(msg): |
---|
| 193 | """Report progress of transformation.""" |
---|
| 194 | self.communicate.statusBarUpdateSignal.emit(msg) |
---|
[f7b73d5] | 195 | |
---|
[ff8cb73] | 196 | def completefn(transforms): |
---|
[be6f7af] | 197 | """Extract the values from the transforms and plot""" |
---|
[ff8cb73] | 198 | (trans1, trans3, idf) = transforms |
---|
| 199 | self._realplot.data = trans1 |
---|
| 200 | self._realplot.data3 = trans3 |
---|
| 201 | self._realplot.data_idf = idf |
---|
| 202 | self._realplot.draw_real_space() |
---|
| 203 | params = self._calculator.extract_parameters(trans1) |
---|
| 204 | self.model.setItem(W.W_CORETHICK, |
---|
| 205 | QtGui.QStandardItem(str(params['d0']))) |
---|
| 206 | self.model.setItem(W.W_INTTHICK, |
---|
| 207 | QtGui.QStandardItem(str(params['dtr']))) |
---|
| 208 | self.model.setItem(W.W_HARDBLOCK, |
---|
| 209 | QtGui.QStandardItem(str(params['Lc']))) |
---|
| 210 | self.model.setItem(W.W_CRYSTAL, |
---|
| 211 | QtGui.QStandardItem(str(params['fill']))) |
---|
| 212 | self.model.setItem(W.W_POLY, |
---|
| 213 | QtGui.QStandardItem(str(params['A']))) |
---|
| 214 | self.model.setItem(W.W_PERIOD, |
---|
| 215 | QtGui.QStandardItem(str(params['max']))) |
---|
[f7b73d5] | 216 | |
---|
[cadd595a] | 217 | self._update_calculator() |
---|
[be6f7af] | 218 | self._calculator.compute_transform(extrap, method, background, |
---|
[7be7136] | 219 | completefn, updatefn) |
---|
[f7b73d5] | 220 | |
---|
[7be7136] | 221 | def setup_mapper(self): |
---|
[be6f7af] | 222 | """Creating mapping between model and gui elements.""" |
---|
[59183b7] | 223 | self.mapper = QtGui.QDataWidgetMapper(self) |
---|
| 224 | self.mapper.setOrientation(QtCore.Qt.Vertical) |
---|
| 225 | self.mapper.setModel(self.model) |
---|
| 226 | |
---|
| 227 | self.mapper.addMapping(self.qMin, W.W_QMIN) |
---|
| 228 | self.mapper.addMapping(self.qMax1, W.W_QMAX) |
---|
| 229 | self.mapper.addMapping(self.qMax2, W.W_QCUTOFF) |
---|
| 230 | self.mapper.addMapping(self.bg, W.W_BACKGROUND) |
---|
| 231 | |
---|
[e4a3302] | 232 | self.mapper.addMapping(self.guinierA, W.W_GUINIERA) |
---|
| 233 | self.mapper.addMapping(self.guinierB, W.W_GUINIERB) |
---|
| 234 | self.mapper.addMapping(self.porodK, W.W_PORODK) |
---|
| 235 | self.mapper.addMapping(self.porodSigma, W.W_PORODSIGMA) |
---|
| 236 | |
---|
[9634f86] | 237 | self.mapper.addMapping(self.avgCoreThick, W.W_CORETHICK) |
---|
| 238 | self.mapper.addMapping(self.avgIntThick, W.W_INTTHICK) |
---|
| 239 | self.mapper.addMapping(self.avgHardBlock, W.W_HARDBLOCK) |
---|
| 240 | self.mapper.addMapping(self.polydisp, W.W_POLY) |
---|
| 241 | self.mapper.addMapping(self.longPeriod, W.W_PERIOD) |
---|
| 242 | self.mapper.addMapping(self.localCrystal, W.W_CRYSTAL) |
---|
| 243 | |
---|
[59183b7] | 244 | self.mapper.toFirst() |
---|
| 245 | |
---|
[be6f7af] | 246 | def calculate_background(self): |
---|
| 247 | """Find a good estimate of the background value.""" |
---|
[cadd595a] | 248 | self._update_calculator() |
---|
[be6f7af] | 249 | background = self._calculator.compute_background() |
---|
| 250 | temp = QtGui.QStandardItem(str(background)) |
---|
[e4a3302] | 251 | self.model.setItem(W.W_BACKGROUND, temp) |
---|
[59183b7] | 252 | |
---|
[6d96bf9] | 253 | def allowBatch(self): |
---|
| 254 | """ |
---|
| 255 | We cannot perform corfunc analysis in batch at this time. |
---|
| 256 | """ |
---|
| 257 | return False |
---|
| 258 | |
---|
| 259 | def setData(self, data_item, is_batch=False): |
---|
| 260 | """ |
---|
| 261 | Obtain a QStandardItem object and dissect it to get Data1D/2D |
---|
| 262 | Pass it over to the calculator |
---|
| 263 | """ |
---|
| 264 | if not isinstance(data_item, list): |
---|
| 265 | msg = "Incorrect type passed to the Corfunc Perpsective" |
---|
| 266 | raise AttributeError(msg) |
---|
| 267 | |
---|
| 268 | if not isinstance(data_item[0], QtGui.QStandardItem): |
---|
| 269 | msg = "Incorrect type passed to the Corfunc Perspective" |
---|
| 270 | raise AttributeError(msg) |
---|
| 271 | |
---|
[be6f7af] | 272 | model_item = data_item[0] |
---|
| 273 | data = GuiUtils.dataFromItem(model_item) |
---|
[b2c8aef] | 274 | self._calculator.set_data(data) |
---|
[6d96bf9] | 275 | |
---|
[f159d1b] | 276 | self._canvas.data = data |
---|
[7be7136] | 277 | self._canvas.draw_q_space() |
---|
[22e6043] | 278 | |
---|
[6d96bf9] | 279 | # self.model.item(WIDGETS.W_FILENAME).setData(QtCoreQVariant(self._model_item.text())) |
---|
| 280 | |
---|
| 281 | def setClosable(self, value=True): |
---|
| 282 | """ |
---|
| 283 | Allow outsiders close this widget |
---|
| 284 | """ |
---|
| 285 | assert isinstance(value, bool) |
---|
| 286 | |
---|
| 287 | self._allow_close = value |
---|