eclipse · eselmeister · Sep 11, 2024 · Sep 11, 2024
diff --git a/...pca.ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/parts/FeatureTablePart.java b/...pca.ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/parts/FeatureTablePart.java
@@ -9,18 +9,19 @@
  * Contributors:
  * Jan Holy - initial API and implementation
  * Philip Wenig - get rid of JavaFX, feature selection
+ * Lorenz Gerber - update feature table selection from loading plot
  *******************************************************************************/
 package org.eclipse.chemclipse.xxd.process.supplier.pca.ui.parts;
 
 import java.util.List;
 
-import jakarta.inject.Inject;
-
 import org.eclipse.chemclipse.xxd.process.supplier.pca.model.EvaluationPCA;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.ui.swt.ExtendedFeatureListUI;
 import org.eclipse.swt.SWT;
 import org.eclipse.swt.widgets.Composite;
 
+import jakarta.inject.Inject;
+
 public class FeatureTablePart extends AbstractPartPCA<ExtendedFeatureListUI> {
 
 	@Inject

diff --git a/....ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/swt/ExtendedFeatureListUI.java b/....ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/swt/ExtendedFeatureListUI.java
@@ -8,13 +8,15 @@
  * 
  * Contributors:
  * Philip Wenig - initial API and implementation
+ * Lorenz Gerber - update feature table selection from loading plot
  *******************************************************************************/
 package org.eclipse.chemclipse.xxd.process.supplier.pca.ui.swt;
 
 import java.io.File;
 import java.io.FileNotFoundException;
 import java.util.Arrays;
 import java.util.Iterator;
+import java.util.List;
 import java.util.concurrent.atomic.AtomicReference;
 
 import org.eclipse.chemclipse.model.statistics.IVariable;
@@ -30,6 +32,8 @@
 import org.eclipse.chemclipse.swt.ui.components.InformationUI;
 import org.eclipse.chemclipse.swt.ui.components.SearchSupportUI;
 import org.eclipse.chemclipse.swt.ui.notifier.UpdateNotifierUI;
+import org.eclipse.chemclipse.ux.extension.xxd.ui.part.support.DataUpdateSupport;
+import org.eclipse.chemclipse.ux.extension.xxd.ui.part.support.IDataUpdateListener;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.swt.IExtendedPartUI;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.swt.ISettingsHandler;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.core.ProcessorPCA;
@@ -38,9 +42,11 @@
 import org.eclipse.chemclipse.xxd.process.supplier.pca.model.Feature;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.model.FeatureDataMatrix;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.preferences.PreferenceSupplier;
+import org.eclipse.chemclipse.xxd.process.supplier.pca.ui.Activator;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.ui.preferences.PreferencePage;
 import org.eclipse.core.runtime.NullProgressMonitor;
 import org.eclipse.jface.dialogs.MessageDialog;
+import org.eclipse.jface.viewers.StructuredSelection;
 import org.eclipse.swt.SWT;
 import org.eclipse.swt.events.SelectionAdapter;
 import org.eclipse.swt.events.SelectionEvent;
@@ -61,11 +67,37 @@ public class ExtendedFeatureListUI extends Composite implements IExtendedPartUI
 	//
 	private EvaluationPCA evaluationPCA = null;
 	private FeatureDataMatrix featureDataMatrix = null;
+	//
+	private Composite control;
 
 	public ExtendedFeatureListUI(Composite parent, int style) {
 
 		super(parent, style);
 		createControl();
+		//
+		DataUpdateSupport dataUpdateSupport = new DataUpdateSupport(Activator.getDefault().getEventBroker());
+		dataUpdateSupport.subscribe(IChemClipseEvents.TOPIC_PCA_UPDATE_RESULT, IChemClipseEvents.EVENT_BROKER_DATA);
+		dataUpdateSupport.add(new IDataUpdateListener() {
+
+			@Override
+			public void update(String topic, List<Object> objects) {
+
+				if(evaluationPCA != null) {
+					if(DataUpdateSupport.isVisible(control)) {
+						if(IChemClipseEvents.TOPIC_PCA_UPDATE_RESULT.equals(topic)) {
+							if(objects.size() == 1) {
+								Object object = objects.get(0);
+								if(object instanceof Feature feature) {
+									if(evaluationPCA.getFeatureDataMatrix().getFeatures().contains(feature)) {
+										listControl.get().setSelection(new StructuredSelection(feature));
+									}
+								}
+							}
+						}
+					}
+				}
+			}
+		});
 	}
 
 	public void setInput(EvaluationPCA evaluationPCA) {
@@ -91,6 +123,7 @@ private void createControl() {
 		createToolbarInfo(this);
 		//
 		initialize();
+		control = this;
 	}
 
 	private void initialize() {

diff --git a/...a.ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/swt/ExtendedLoadingsPlot.java b/...a.ui/src/org/eclipse/chemclipse/xxd/process/supplier/pca/ui/swt/ExtendedLoadingsPlot.java
@@ -1,5 +1,5 @@
 /*******************************************************************************
- * Copyright (c) 2020, 2022 Lablicate GmbH.
+ * Copyright (c) 2020, 2024 Lablicate GmbH.
  *
  * All rights reserved. This program and the accompanying materials
  * are made available under the terms of the Eclipse Public License v1.0
@@ -8,29 +8,50 @@
  * 
  * Contributors:
  * Philip Wenig - initial API and implementation
+ * Lorenz Gerber - update feature table selection from loading plot
  *******************************************************************************/
 package org.eclipse.chemclipse.xxd.process.supplier.pca.ui.swt;
 
+import java.util.ArrayList;
 import java.util.Arrays;
+import java.util.Collections;
+import java.util.Comparator;
+import java.util.List;
 import java.util.concurrent.atomic.AtomicReference;
 
+import org.eclipse.chemclipse.model.statistics.IVariable;
+import org.eclipse.chemclipse.numeric.core.IPoint;
+import org.eclipse.chemclipse.numeric.core.Point;
+import org.eclipse.chemclipse.support.events.IChemClipseEvents;
+import org.eclipse.chemclipse.swt.ui.notifier.UpdateNotifierUI;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.swt.IExtendedPartUI;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.swt.ISettingsHandler;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.model.EvaluationPCA;
+import org.eclipse.chemclipse.xxd.process.supplier.pca.model.Feature;
+import org.eclipse.chemclipse.xxd.process.supplier.pca.model.FeatureDelta;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.model.IAnalysisSettings;
+import org.eclipse.chemclipse.xxd.process.supplier.pca.model.IResultPCA;
+import org.eclipse.chemclipse.xxd.process.supplier.pca.model.IResultsPCA;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.ui.chart2d.LoadingsPlot;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.ui.preferences.PreferencePage;
 import org.eclipse.chemclipse.xxd.process.supplier.pca.ui.preferences.PreferencePageLoadingPlot;
 import org.eclipse.swt.SWT;
+import org.eclipse.swt.graphics.Rectangle;
 import org.eclipse.swt.layout.GridData;
 import org.eclipse.swt.layout.GridLayout;
 import org.eclipse.swt.widgets.Composite;
 import org.eclipse.swt.widgets.Display;
+import org.eclipse.swt.widgets.Event;
+import org.eclipse.swtchart.Range;
+import org.eclipse.swtchart.extensions.core.BaseChart;
+import org.eclipse.swtchart.extensions.core.IChartSettings;
+import org.eclipse.swtchart.extensions.core.IMouseSupport;
+import org.eclipse.swtchart.extensions.events.IHandledEventProcessor;
 
 public class ExtendedLoadingsPlot extends Composite implements IExtendedPartUI {
 
 	private AtomicReference<LoadingsPlot> plotControl = new AtomicReference<>();
-	private PrincipalComponentUI principalComponentUI;
+	private AtomicReference<PrincipalComponentUI> principalComponentControl = new AtomicReference<>();
 	//
 	private EvaluationPCA evaluationPCA = null;
 
@@ -68,7 +89,7 @@ private void createToolbarMain(Composite parent) {
 		composite.setLayoutData(gridData);
 		composite.setLayout(new GridLayout(2, false));
 		//
-		principalComponentUI = createPrincipalComponentUI(composite);
+		createPrincipalComponentUI(composite);
 		createSettingsButton(composite);
 	}
 
@@ -77,10 +98,104 @@ private void createPlot(Composite parent) {
 		LoadingsPlot plot = new LoadingsPlot(parent, SWT.BORDER);
 		plot.setLayoutData(new GridData(GridData.FILL_BOTH));
 		//
+		IChartSettings chartSettings = plot.getChartSettings();
+		chartSettings.addHandledEventProcessor(new IHandledEventProcessor() {
+
+			@Override
+			public int getEvent() {
+
+				return IMouseSupport.EVENT_MOUSE_DOUBLE_CLICK;
+			}
+
+			@Override
+			public int getButton() {
+
+				return IMouseSupport.MOUSE_BUTTON_LEFT;
+			}
+
+			@Override
+			public int getStateMask() {
+
+				return SWT.NONE;
+			}
+
+			@Override
+			public void handleEvent(BaseChart baseChart, Event event) {
+
+				if(evaluationPCA != null) {
+					/*
+					 * Determine the x|y coordinates.
+					 */
+					Rectangle rectangle = baseChart.getPlotArea().getBounds();
+					int x = event.x;
+					int y = event.y;
+					int width = rectangle.width;
+					int height = rectangle.height;
+					/*
+					 * Calculate the selected point.
+					 */
+					Range rangeX = baseChart.getAxisSet().getXAxis(BaseChart.ID_PRIMARY_X_AXIS).getRange();
+					Range rangeY = baseChart.getAxisSet().getYAxis(BaseChart.ID_PRIMARY_Y_AXIS).getRange();
+					double pX = rangeX.lower + (rangeX.upper - rangeX.lower) * ((1.0d / width) * x);
+					double pY = rangeY.lower + (rangeY.upper - rangeY.lower) * ((1.0d / height) * y);
+					/*
+					 * Map the result deltas.
+					 */
+					PrincipalComponentUI principalComponentUI = principalComponentControl.get();
+					int pcX = principalComponentUI.getPCX();
+					int pcY = principalComponentUI.getPCY();
+					IResultsPCA<? extends IResultPCA, ? extends IVariable> resultsPCA = evaluationPCA.getResults();
+					List<FeatureDelta> featureDeltas = new ArrayList<>();
+					//
+					// Here need to prepare a result object with loading vectors per variable
+					//
+					for(int i = 0; i < resultsPCA.getExtractedVariables().size(); i++) {
+						double[] variableLoading = getVariableLoading(resultsPCA, i);
+						IPoint pointResult = getPoint(variableLoading, pcX, pcY, i);
+						double deltaX = Math.abs(pointResult.getX() - pX);
+						double deltaY = Math.abs(pointResult.getY() - pY);
+						featureDeltas.add(new FeatureDelta(evaluationPCA.getFeatureDataMatrix().getFeatures().get(i), deltaX, deltaY));
+					}
+					/*
+					 * Get the closest result.
+					 */
+					if(!featureDeltas.isEmpty()) {
+						Collections.sort(featureDeltas, Comparator.comparing(FeatureDelta::getDeltaX).thenComparing(FeatureDelta::getDeltaY));
+						FeatureDelta featureDelta = featureDeltas.get(0);
+						Feature feature = featureDelta.getFeature();
+						UpdateNotifierUI.update(event.display, IChemClipseEvents.TOPIC_PCA_UPDATE_RESULT, feature);
+					}
+				}
+			}
+		});
+		plot.applySettings(chartSettings);
+		//
 		plotControl.set(plot);
 	}
 
-	private PrincipalComponentUI createPrincipalComponentUI(Composite parent) {
+	private double[] getVariableLoading(IResultsPCA<? extends IResultPCA, ? extends IVariable> results, int number) {
+
+		double[] variableLoading = new double[results.getLoadingVectors().size()];
+		for(int i = 0; i < results.getLoadingVectors().size(); i++) {
+			variableLoading[i] = results.getLoadingVectors().get(i)[number];
+		}
+		return variableLoading;
+	}
+
+	private IPoint getPoint(double[] variableLoading, int pcX, int pcY, int i) {
+
+		double rX = 0;
+		if(pcX != 0) {
+			rX = variableLoading[pcX - 1]; // e.g. 0 = PC1
+		} else {
+			rX = i;
+		}
+		double rY = variableLoading[pcY - 1]; // e.g. 1 = PC2
+		//
+		return new Point(rX, rY);
+	}
+
+	private void createPrincipalComponentUI(Composite parent) {
 
 		PrincipalComponentUI principalComponentUI = new PrincipalComponentUI(parent, SWT.NONE, PrincipalComponentUI.SPINNER_X | PrincipalComponentUI.SPINNER_Y);
 		principalComponentUI.setSelectionListener(new ISelectionListenerPCs() {
@@ -92,7 +207,7 @@ public void update(int pcX, int pcY, int pcZ) {
 			}
 		});
 		//
-		return principalComponentUI;
+		principalComponentControl.set(principalComponentUI);
 	}
 
 	private void createSettingsButton(Composite parent) {
@@ -109,13 +224,15 @@ public void apply(Display display) {
 
 	private void applySettings() {
 
+		PrincipalComponentUI principalComponentUI = principalComponentControl.get();
 		int pcX = principalComponentUI.getPCX();
 		int pcY = principalComponentUI.getPCY();
 		updatePlot(pcX, pcY);
 	}
 
 	private void updateWidgets() {
 
+		PrincipalComponentUI principalComponentUI = principalComponentControl.get();
 		if(evaluationPCA != null) {
 			IAnalysisSettings analysisSettings = evaluationPCA.getSamples().getAnalysisSettings();
 			principalComponentUI.setInput(analysisSettings);

diff --git a/....supplier.pca/src/org/eclipse/chemclipse/xxd/process/supplier/pca/model/FeatureDelta.java b/....supplier.pca/src/org/eclipse/chemclipse/xxd/process/supplier/pca/model/FeatureDelta.java
@@ -0,0 +1,68 @@
+/*******************************************************************************
+ * Copyright (c) 2024 Lablicate GmbH.
+ *
+ * All rights reserved. This program and the accompanying materials
+ * are made available under the terms of the Eclipse Public License v1.0
+ * which accompanies this distribution, and is available at
+ * http://www.eclipse.org/legal/epl-v10.html
+ * 
+ * Contributors:
+ * Lorenz Gerber - initial API and implementation
+ *******************************************************************************/
+package org.eclipse.chemclipse.xxd.process.supplier.pca.model;
+
+import java.util.Objects;
+
+public class FeatureDelta {
+
+	private Feature feature = null;
+	private double deltaX = 0;
+	private double deltaY = 0;
+
+	public FeatureDelta(Feature feature, double deltaX, double deltaY) {
+
+		this.feature = feature;
+		this.deltaX = deltaX;
+		this.deltaY = deltaY;
+	}
+
+	public Feature getFeature() {
+
+		return feature;
+	}
+
+	public double getDeltaX() {
+
+		return deltaX;
+	}
+
+	public double getDeltaY() {
+
+		return deltaY;
+	}
+
+	@Override
+	public int hashCode() {
+
+		return Objects.hash(feature);
+	}
+
+	@Override
+	public boolean equals(Object obj) {
+
+		if(this == obj)
+			return true;
+		if(obj == null)
+			return false;
+		if(getClass() != obj.getClass())
+			return false;
+		FeatureDelta other = (FeatureDelta)obj;
+		return Objects.equals(feature, other.feature);
+	}
+
+	@Override
+	public String toString() {
+
+		return "FeatureDelta [featurePCA=" + feature + ", deltaX=" + deltaX + ", deltaY=" + deltaY + "]";
+	}
+}