Add external data loading

src/crispy/__main__.py

@@ -10,6 +10,7 @@
 
 import json
 import logging
+import numpy as np
 import os
 import socket
 import sys
@@ -32,6 +33,7 @@
     Qt,
     QThread,
     QProcess,
+    QFileDialog,
     pyqtSignal,
 )
 
@@ -84,10 +86,15 @@ def __init__(self, parent=None):
         menu.addAction(self.quantyDockWidget.showHideAction)
 
         menu = self.menuBar().addMenu("Tools")
-        self.runJupyterAction = QAction(
-            "Start Jupyter Lab", self, triggered=self.runJupyter
+        self.loadExternalDataAction = QAction(
+            "Load External Data", self, triggered=self.loadExternalData
         )
-        menu.addAction(self.runJupyterAction)
+        menu.addAction(self.loadExternalDataAction)
+
+        self.runJupyterLabAction = QAction(
+            "Start Jupyter Lab", self, triggered=self.runJupyterLab
+        )
+        menu.addAction(self.runJupyterLabAction)
 
         menu = self.menuBar().addMenu("Help")
         self.openAboutDialogAction = QAction(
@@ -151,7 +158,21 @@ def saveSettings(self):
     def openAboutDialog(self):
         self.aboutDialog.exec()
 
-    def runJupyter(self):
+    def loadExternalData(self):
+        dialog = QFileDialog()
+        path, _ = dialog.getOpenFileName(self, "Select File")
+
+        if path:
+            try:
+                x, y = np.loadtxt(path, unpack=True)
+            except ValueError:
+                logger.error(f"Failed to load data from {path}")
+                return
+
+            name = os.path.splitext(os.path.basename(path))[0]
+            self.quantyDockWidget.addExternalData(name, x, y)
+
+    def runJupyterLab(self):
         process = QProcess()
         process.setProgram("jupyter-lab")
         process.setArguments([f"--notebook-dir={os.path.expanduser('~')}"])

src/crispy/quanty/details.py

@@ -16,6 +16,7 @@
 from crispy.config import Config
 from crispy.uic import loadUi
 from crispy.utils import fixedFont, setMappings
+from crispy.quanty.external import ExternalData
 
 settings = Config().read()
 
@@ -93,6 +94,12 @@ def clear(self):
     def populate(self, result):
         self.clear()
 
+        if isinstance(result, ExternalData):
+            self.spectraView.setModel(result.model())
+            index = result.model().indexFromItem(result)
+            self.spectraView.setRootIndex(index)
+            return
+
         if result is None:
             return
 

src/crispy/quanty/external.py

@@ -0,0 +1,17 @@
+import logging
+from crispy.items import SelectableItem
+
+logger = logging.getLogger(__name__)
+
+
+class ExternalData(SelectableItem):
+    def __init__(self, parent=None, name="Experiment", x=None, y=None):
+        super().__init__(parent=parent, name=name)
+        self.x = x
+        self.y = y
+        self.enable()
+
+    def plot(self, plotWidget):
+        index = self.childPosition()
+        legend = f"{index + 1}-{self.name}"
+        plotWidget.addCurve(self.x, self.y, legend=legend)

src/crispy/quanty/main.py

@@ -31,6 +31,7 @@
 from crispy.models import TreeModel
 from crispy.quanty.calculation import Calculation
 from crispy.quanty.details import DetailsDialog
+from crispy.quanty.external import ExternalData
 from crispy.quanty.preferences import PreferencesDialog
 from crispy.quanty.progress import ProgressDialog
 from crispy.uic import loadUi
@@ -331,12 +332,12 @@ def load(self):
         pass
 
     def plot(self, *args):
-        calculations = self.model.rootItem().children()
+        children = self.model.rootItem().children()
 
         index, *_ = args
         # Return if the index is invalid but there are still calculations in
         # the model.
-        if not index.isValid() and calculations:
+        if not index.isValid() and children:
             return
         # Get the last item the user has changed.
         last = index.internalPointer()
@@ -345,29 +346,34 @@ def plot(self, *args):
         plotWidget = findQtObject(name="plotWidget")
         plotWidget.reset()
 
-        if not calculations:
+        if not children:
             return
 
         if isinstance(last, Calculation):
             self.model.blockSignals(True)
-            for calculation in calculations:
+            for child in children:
+                if isinstance(child, ExternalData):
+                    continue
                 if (
                     last.experiment.isTwoDimensional
-                    and last != calculation
+                    and last != child
                     or not last.experiment.isTwoDimensional
-                    and calculation.experiment.isTwoDimensional
+                    and child.experiment.isTwoDimensional
                 ):
-                    calculation.checkState = Qt.CheckState.Unchecked
+                    child.checkState = Qt.CheckState.Unchecked
             self.model.blockSignals(False)
 
         # Remove the calculations that are not checked.
-        calculations = [c for c in calculations if c.isEnabled()]
+        children = [c for c in children if c.isEnabled()]
 
-        if not calculations:
+        if not children:
             return
 
-        for calculation in calculations:
-            calculation.spectra.plot(plotWidget)
+        for child in children:
+            if isinstance(child, Calculation):
+                child.spectra.plot(plotWidget)
+            elif isinstance(child, ExternalData):
+                child.plot(plotWidget)
 
         # Reset the plot widget if nothing new was plotted.
         if plotWidget.isEmpty():
@@ -494,6 +500,8 @@ def populate(self, index=None):
             child.setParent(None)
 
         result = index.internalPointer() if index is not None else None
+        if isinstance(result, ExternalData):
+            return
 
         if result is not None:
             symbol = result.element.symbol
@@ -538,6 +546,12 @@ def populate(self, index=None):
         self.state = state
         logger.debug("Finished populating the widgets.")
 
+    def addExternalData(self, name, x, y):
+        parent = self.resultsPage.model.rootItem()
+        experiment = ExternalData(parent, name, x, y)
+        index = experiment.index()
+        self.resultsPage.view.setCurrentIndex(index)
+
     def run(self):
         progress = ProgressDialog(self)
         progress.rejected.connect(self.state.stop)