2107 idf plot selection

installers/sasview.spec

@@ -12,7 +12,8 @@ PYTHON_LOC = sys.exec_prefix
 datas = [
     ('../src/sas/sasview/images', 'images'),
     ('../src/sas/sasview/media', 'media'),
-    ('../src/sas/example_data', 'example_data'), 
+    ('../src/sas/example_data', 'example_data'),
+    ('../src/sas/qtgui/Utilities/Reports/report_style.css', 'sas/qtgui/Utilities/Reports'),
     ('../src/sas/sasview/custom_config.py', '.'),
     ('../src/sas/sasview/local_config.py', '.'),
 #    ('../src/sas/sasview/wxcruft.py', '.'),

setup.py

@@ -283,7 +283,7 @@ def run(self):
                              'Plotting/UI/*',
                              'Utilities/UI/*',
                              'Utilities/Reports/UI/*',
-                             'Utilities/Reports/*.css'
+                             'Utilities/Reports/*.css',
                              'UI/*',
                              'UI/res/*',
                              ]

src/sas/qtgui/Perspectives/Corfunc/CorfuncCanvas.py

@@ -0,0 +1,59 @@
+from __future__ import annotations
+
+from abc import ABCMeta, abstractmethod
+
+from typing import Optional, Union, List, Iterable, TYPE_CHECKING
+
+from matplotlib.backends.backend_qt5agg import FigureCanvasQTAgg as FigureCanvas
+from matplotlib.figure import Figure
+
+from sas.sascalc.dataloader.data_info import Data1D
+
+
+if TYPE_CHECKING:
+    from sas.qtgui.Perspectives.Corfunc.CorfuncPerspective import CorfuncWindow
+
+
+class CorfuncCanvasMeta(type(FigureCanvas), ABCMeta):
+    """ Metaclass for both ABC and matplotlib figure
+
+    This is needed to enable the mixin of CorfuncCanvas
+    """
+
+
+class CorfuncCanvas(FigureCanvas, metaclass=CorfuncCanvasMeta):
+    """ Base class for the canvases in corfunc"""
+
+    def __init__(self, parent: CorfuncWindow, width=5, height=4, dpi=100):
+        self.parent = parent
+        self.fig = Figure(figsize=(width, height), dpi=dpi)
+        self.axes = self.fig.add_subplot(111)
+
+        FigureCanvas.__init__(self, self.fig)
+
+        self._data: Optional[List[Data1D]] = None
+
+    def clear(self):
+        """ Remove data from plots"""
+        self._data = None
+
+    @abstractmethod
+    def draw_data(self):
+        pass
+
+    @property
+    def data(self) -> Optional[List[Data1D]]:
+        """ The data currently shown by the plots """
+        return self._data
+
+    @data.setter
+    def data(self, target_data: Optional[Union[Data1D, Iterable[Data1D]]]):
+        # I'm not 100% sure this is good practice, but it will make things cleaner in the short term
+        if target_data is None:
+            self._data = None
+        elif isinstance(target_data, Data1D):
+            self._data = [target_data]
+        else:
+            self._data = list(target_data)
+
+        self.draw_data()

src/sas/qtgui/Perspectives/Corfunc/CorfuncPerspective.py

@@ -9,7 +9,7 @@
 from numpy.linalg.linalg import LinAlgError
 
 
-from typing import Optional, List
+from typing import Optional, List, Tuple
 
 import logging
 
@@ -22,18 +22,20 @@
 from sas.qtgui.Perspectives.Corfunc.CorfunSlider import CorfuncSlider
 from sas.qtgui.Perspectives.Corfunc.QSpaceCanvas import QSpaceCanvas
 from sas.qtgui.Perspectives.Corfunc.RealSpaceCanvas import RealSpaceCanvas
+from sas.qtgui.Perspectives.Corfunc.IDFCanvas import IDFCanvas
 from sas.sascalc.corfunc.extrapolation_data import ExtrapolationParameters, ExtrapolationInteractionState
 
 import sas.qtgui.Utilities.GuiUtils as GuiUtils
 from sas.qtgui.Utilities.Reports.reportdata import ReportData
 from sas.qtgui.Utilities.Reports import ReportBase
+from sas.qtgui.Plotting.PlotterData import Data1D
 
 from sas.sascalc.corfunc.corfunc_calculator import CorfuncCalculator
 # pylint: enable=import-error, no-name-in-module
 
 # local
 from .UI.CorfuncPanel import Ui_CorfuncDialog
-from .util import WIDGETS, safe_float
+from .util import WIDGETS, safe_float, TransformedData
 from .SaveExtrapolatedPopup import SaveExtrapolatedPopup
 from ..perspective import Perspective
 
@@ -49,7 +51,7 @@ def title(self):
         """ Window title """
         return "Corfunc Perspective"
 
-    trigger = QtCore.pyqtSignal(tuple)
+    trigger = QtCore.pyqtSignal(TransformedData)
 
 # pylint: disable=unused-argument
     def __init__(self, parent=None):
@@ -67,7 +69,8 @@ def __init__(self, parent=None):
         self._calculator = CorfuncCalculator()
         self._allow_close = False
         self._model_item: Optional[QStandardItem] = None
-        self.data = None
+        self.data: Optional[Data1D] = None
+        self.extrap: Optional[Data1D] = None
         self.has_data = False
         self.txtLowerQMin.setText("0.0")
         self.txtLowerQMin.setEnabled(False)
@@ -86,10 +89,15 @@ def __init__(self, parent=None):
         self.realSpaceLayout.insertWidget(0, self._real_space_plot)
         self.realSpaceLayout.insertWidget(1, NavigationToolbar2QT(self._real_space_plot, self))
 
+        self._idf_plot = IDFCanvas(self)
+        self.idfLayout.insertWidget(0, self._idf_plot)
+        self.idfLayout.insertWidget(1, NavigationToolbar2QT(self._idf_plot, self))
+
         # Things to make the corfunc panel behave
-        self.mainLayout.setStretch(0, 0)
-        self.mainLayout.setStretch(1, 1)
-        self.controlFrame.setFixedWidth(583)
+        self.horizontalLayout_3.setStretch(0, 0)
+        self.horizontalLayout_3.setStretch(1, 1)
+        self.scrollArea.setFixedWidth(600)
+        self.adjustSize()
 
         # Connect buttons to slots.
         # Needs to be done early so default values propagate properly.
@@ -193,10 +201,10 @@ def removeData(self, data_list=None):
         # Clear data plots
         self._q_space_plot.data = None
         self._q_space_plot.extrap = None
-        self._q_space_plot.draw_data()
+
         self._real_space_plot.data = None
-        self._real_space_plot.extrap = None
-        self._real_space_plot.draw_data()
+        self._idf_plot.data = None
+
         self.slider.setEnabled(False)
         # Clear calculator, model, and data path
         self._calculator = CorfuncCalculator()
@@ -249,6 +257,7 @@ def extrapolate(self):
         self.model.setItem(WIDGETS.W_PORODSIGMA,
                            QtGui.QStandardItem("{:.4g}".format(params['sigma'])))
 
+        self.extrap = extrapolation
         self._q_space_plot.extrap = extrapolation
         self.model_changed(None)
         self.cmdTransform.setEnabled(True)
@@ -263,16 +272,16 @@ def transform(self):
 
         method = "fourier"
 
-        extrap = self._q_space_plot.extrap
+        extrap = self.extrap
         background = float(self.model.item(WIDGETS.W_BACKGROUND).text())
 
         def updatefn(msg):
             """Report progress of transformation."""
             self.communicate.statusBarUpdateSignal.emit(msg)
 
-        def completefn(transforms):
+        def completefn(transformed_data: Tuple[Data1D, Data1D, Data1D]):
             """Extract the values from the transforms and plot"""
-            self.trigger.emit(transforms)
+            self.trigger.emit(TransformedData(*transformed_data)) # TODO: Make this return more structured data earlier
 
         self._update_calculator()
         self._calculator.compute_transform(extrap, method, background,
@@ -281,20 +290,27 @@ def completefn(transforms):
 
 
 
-    def finish_transform(self, transforms):
-        self._real_space_plot.data = transforms
+    def finish_transform(self, data: TransformedData):
+
+        self.transformed_data = data
+
+        self._real_space_plot.data = data.gamma_1, data.gamma_3
 
-        self.update_real_space_plot(transforms)
+        # self.update_real_space_plot(transforms)
+
+        self._idf_plot.data = data.idf
 
-        self._real_space_plot.draw_data()
         self.cmdExtract.setEnabled(True)
         self.cmdSave.setEnabled(True)
+
         self.tabWidget.setCurrentIndex(1)
 
     def extract(self):
-        transforms = self._real_space_plot.data
 
-        params = self._calculator.extract_parameters(transforms[0])
+        if self.transformed_data is None:
+            return
+
+        params = self._calculator.extract_parameters(self.transformed_data[0])
 
         if params is not None:
 
@@ -313,29 +329,6 @@ def extract(self):
             self.model_changed(None)
 
 
-    def update_real_space_plot(self, datas):
-        """take the datas tuple and create a plot in DE"""
-
-        assert isinstance(datas, tuple)
-        plot_id = id(self)
-        titles = [f"1D Correlation [{self._path}]", f"3D Correlation [{self._path}]",
-                  'Interface Distribution Function']
-        for i, plot in enumerate(datas):
-            plot_to_add = self.parent.createGuiData(plot)
-            # set plot properties
-            title = plot_to_add.title
-            plot_to_add.scale = 'linear'
-            plot_to_add.symbol = 'Line'
-            plot_to_add._xaxis = "x"
-            plot_to_add._xunit = "A"
-            plot_to_add._yaxis = "\Gamma"
-            if i < len(titles):
-                title = titles[i]
-                plot_to_add.name = titles[i]
-            GuiUtils.updateModelItemWithPlot(self._model_item, plot_to_add, title)
-            #self.axes.set_xlim(min(data1.x), max(data1.x) / 4)
-        pass
-
     def setup_mapper(self):
         """Creating mapping between model and gui elements."""
         self.mapper = QtWidgets.QDataWidgetMapper(self)
@@ -480,11 +473,15 @@ def fractional_position(f):
         self.cmdTransform.setEnabled(False)
         self._path = data.name
         self.model.setItem(WIDGETS.W_FILENAME, QtGui.QStandardItem(self._path))
+
         self._real_space_plot.data = None
-        self._real_space_plot.draw_data()
+        self._idf_plot.data = None
+
         self.set_text_enable(True)
         self.has_data = True
 
+        self.tabWidget.setCurrentIndex(0)
+
 
     def setClosable(self, value=True):
         """
@@ -609,12 +606,15 @@ def on_save(self):
         if "." not in f_name:
             f_name += ".csv"
 
-        data1, data3, data_idf = self._real_space_plot.data
 
         with open(f_name, "w") as outfile:
             outfile.write("X,1D,3D,IDF\n")
             np.savetxt(outfile,
-                       np.vstack([(data1.x, data1.y, data3.y, data_idf.y)]).T,
+                       np.vstack([(
+                           self.transformed_data.gamma_1.x,
+                           self.transformed_data.gamma_1.y,
+                           self.transformed_data.gamma_3.y,
+                           self.transformed_data.idf.y)]).T,
                        delimiter=",")
     # pylint: enable=invalid-name
 
@@ -765,13 +765,6 @@ def updateFromParameters(self, params):
         if params.get('long_period', '0') != '0':
             self.transform()
 
-    def get_figures(self):
-        """
-        Get plots for the report
-        """
-
-        return [self._real_space_plot.fig]
-
     @property
     def real_space_figure(self):
         return self._real_space_plot.fig
@@ -780,6 +773,10 @@ def real_space_figure(self):
     def q_space_figure(self):
         return self._q_space_plot.fig
 
+    @property
+    def idf_figure(self):
+        return self._idf_plot.fig
+
     @property
     def supports_reports(self) -> bool:
         return True
@@ -805,5 +802,6 @@ def getReport(self) -> Optional[ReportData]:
         report.add_table_dict(fancy_parameters, ("Parameter", "Value"))
         report.add_plot(self.q_space_figure)
         report.add_plot(self.real_space_figure)
+        report.add_plot(self.idf_figure)
 
         return report.report_data

src/sas/qtgui/Perspectives/Corfunc/IDFCanvas.py

@@ -0,0 +1,32 @@
+
+from sas.qtgui.Perspectives.Corfunc.CorfuncCanvas import CorfuncCanvas
+
+
+class IDFCanvas(CorfuncCanvas):
+    """ Canvas for displaying real space representation"""
+
+    def draw_data(self):
+        """
+        This function draws the real space data onto the plot
+
+        The 1d correlation function in self.data, the 3d correlation function
+        in self.data3, and the interface distribution function in self.data_idf
+        are all draw in on the plot in linear cooredinates."""
+
+
+        self.fig.clf()
+
+        self.axes = self.fig.add_subplot(111)
+        self.axes.set_xscale("linear")
+        self.axes.set_yscale("linear")
+        self.axes.set_xlabel("Z [$\AA$]")
+        self.axes.set_ylabel("IDF")
+        self.axes.set_title("Interface Distribution Function")
+        self.fig.tight_layout()
+
+        if self.data is not None and len(self.data) > 0:
+            self.axes.plot(self.data[0].x, self.data[0].y)
+            self.axes.set_xlim(0, max(self.data[0].x) / 4)
+
+        self.draw()
+