Fixed #1309 - Add detector/model support for LC-Raman and GC-FTIR

chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/types/DataType.java

@@ -1,5 +1,5 @@
 /*******************************************************************************
- * Copyright (c) 2017, 2022 Lablicate GmbH.
+ * Copyright (c) 2017, 2023 Lablicate GmbH.
  *
  * All rights reserved. This program and the accompanying materials
  * are made available under the terms of the Eclipse Public License v1.0
@@ -24,6 +24,7 @@ public enum DataType {
 	MSD, // mass selective data
 	CSD, // current selective data
 	WSD, // wavelength selective data
+	ISD, // infrared selective data (FT-IR, Raman)
 	TSD, // time selective data (IMS)
 	XIR, // Infrared detectors, FTIR, NIR, MIR
 	NMR, // Nuclear magnetic resonance

chemclipse/plugins/org.eclipse.chemclipse.processing/src/org/eclipse/chemclipse/processing/DataCategory.java

@@ -16,17 +16,12 @@
 import org.eclipse.chemclipse.support.l10n.TranslationSupport;
 import org.eclipse.chemclipse.support.text.ILabel;
 
-/**
- * Describes very generic and broaden data categories a filter, processor or converter might handle
- * 
- * @author Christoph Läubrich
- *
- */
 public enum DataCategory implements ILabel {
 
 	MSD(TranslationSupport.getTranslationService().translate("%DataCategory.MSD", Activator.getContributorURI())), //
 	CSD(TranslationSupport.getTranslationService().translate("%DataCategory.CSD", Activator.getContributorURI())), //
 	WSD(TranslationSupport.getTranslationService().translate("%DataCategory.WSD", Activator.getContributorURI())), //
+	ISD(TranslationSupport.getTranslationService().translate("%DataCategory.ISD", Activator.getContributorURI())), //
 	TSD(TranslationSupport.getTranslationService().translate("%DataCategory.TSD", Activator.getContributorURI())), //
 	FID(TranslationSupport.getTranslationService().translate("%DataCategory.FID", Activator.getContributorURI())), //
 	NMR(TranslationSupport.getTranslationService().translate("%DataCategory.NMR", Activator.getContributorURI())), //
@@ -51,4 +46,4 @@ public String label() {
 
 		return label;
 	}
-}
+}

chemclipse/plugins/org.eclipse.chemclipse.processing/src/org/eclipse/chemclipse/processing/converter/ISupplierFileIdentifier.java

@@ -1,5 +1,5 @@
 /*******************************************************************************
- * Copyright (c) 2013, 2021 Lablicate GmbH.
+ * Copyright (c) 2013, 2023 Lablicate GmbH.
  * 
  * All rights reserved. This program and the accompanying materials
  * are made available under the terms of the Eclipse Public License v1.0
@@ -20,6 +20,7 @@ public interface ISupplierFileIdentifier extends SupplierContext {
 	String TYPE_MSD = "MSD";
 	String TYPE_CSD = "CSD";
 	String TYPE_WSD = "WSD";
+	String TYPE_ISD = "ISD";
 	String TYPE_TSD = "TSD";
 	String TYPE_XIR = "XIR";
 	String TYPE_NMR = "NMR";
@@ -84,4 +85,4 @@ default boolean isMatchMagicNumber(File file) {
 
 		return true;
 	}
-}
+}

chemclipse/plugins/org.eclipse.chemclipse.rcp.ui.icons/src/org/eclipse/chemclipse/rcp/ui/icons/core/IApplicationImage.java

@@ -70,6 +70,7 @@ public interface IApplicationImage extends IApplicationImageProvider {
 	String IMAGE_CHROMATOGRAM_CSD = "chromatogram-csd.gif";
 	String IMAGE_CHROMATOGRAM_WSD = "chromatogram-wsd.gif";
 	String IMAGE_CHROMATOGRAM_TSD = "chromatogram-tsd.gif";
+	String IMAGE_CHROMATOGRAM_ISD = "chromatogram-isd.gif";
 	String IMAGE_SCAN_XIR = "scan-xir.gif"; // FTIR, NIR, ...
 	String IMAGE_SCAN_XIR_RAW = "scan-xir-raw.gif";
 	String IMAGE_SCAN_XIR_INVERTED = "scan-xir-inverted.gif";

chemclipse/plugins/org.eclipse.chemclipse.support/src/org/eclipse/chemclipse/support/events/IChemClipseEvents.java

@@ -1,5 +1,5 @@
 /*******************************************************************************
- * Copyright (c) 2012, 2022 Lablicate GmbH.
+ * Copyright (c) 2012, 2023 Lablicate GmbH.
  * 
  * All rights reserved. This program and the accompanying materials
  * are made available under the terms of the Eclipse Public License v1.0
@@ -21,6 +21,7 @@ public interface IChemClipseEvents {
 	String TOPIC_CHROMATOGRAM_MSD_UPDATE_RAWFILE = "chromatogram/msd/update/rawfile";
 	String TOPIC_CHROMATOGRAM_CSD_UPDATE_RAWFILE = "chromatogram/csd/update/rawfile";
 	String TOPIC_CHROMATOGRAM_WSD_UPDATE_RAWFILE = "chromatogram/wsd/update/rawfile";
+	String TOPIC_CHROMATOGRAM_ISD_UPDATE_RAWFILE = "chromatogram/isd/update/rawfile";
 	String TOPIC_CHROMATOGRAM_TSD_UPDATE_RAWFILE = "chromatogram/tsd/update/rawfile";
 	String TOPIC_SCAN_XIR_UPDATE_RAWFILE = "scan/xir/update/rawfile";
 	String TOPIC_SCAN_NMR_UPDATE_RAWFILE = "scan/nmr/update/rawfile";
@@ -34,6 +35,7 @@ public interface IChemClipseEvents {
 	String TOPIC_CHROMATOGRAM_MSD_UPDATE_OVERVIEW = "chromatogram/msd/update/overview";
 	String TOPIC_CHROMATOGRAM_CSD_UPDATE_OVERVIEW = "chromatogram/csd/update/overview";
 	String TOPIC_CHROMATOGRAM_WSD_UPDATE_OVERVIEW = "chromatogram/wsd/update/overview";
+	String TOPIC_CHROMATOGRAM_ISD_UPDATE_OVERVIEW = "chromatogram/isd/update/overview";
 	String TOPIC_CHROMATOGRAM_TSD_UPDATE_OVERVIEW = "chromatogram/tsd/update/overview";
 	String TOPIC_SCAN_NMR_UPDATE_OVERVIEW = "scan/nmr/update/overview";
 	String TOPIC_SCAN_XIR_UPDATE_OVERVIEW = "scan/xir/update/overview";

chemclipse/plugins/org.eclipse.chemclipse.tsd.converter/src/org/eclipse/chemclipse/tsd/converter/Activator.java

@@ -1,5 +1,5 @@
 /*******************************************************************************
- * Copyright (c) 2021 Lablicate GmbH.
+ * Copyright (c) 2021, 2023 Lablicate GmbH.
  * 
  * All rights reserved.
  * This program and the accompanying materials are made available under the
@@ -51,4 +51,4 @@ public Object[] getConverterServices() {
 
 		return converterServiceTracker.getServices();
 	}
-}
+}

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.ui/src/org/eclipse/chemclipse/ux/extension/ui/editors/IScanEditorXIR.java

@@ -1,5 +1,5 @@
 /*******************************************************************************
- * Copyright (c) 2018 Lablicate GmbH.
+ * Copyright (c) 2018, 2023 Lablicate GmbH.
  * 
  * All rights reserved. This program and the accompanying materials
  * are made available under the terms of the Eclipse Public License v1.0
@@ -11,9 +11,9 @@
  *******************************************************************************/
 package org.eclipse.chemclipse.ux.extension.ui.editors;
 
-import org.eclipse.chemclipse.xir.model.core.IScanXIR;
+import org.eclipse.chemclipse.xir.model.core.ISpectrumXIR;
 
 public interface IScanEditorXIR extends IChemClipseEditor {
 
-	IScanXIR getScanSelection();
+	ISpectrumXIR getScanSelection();
 }

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.ui/src/org/eclipse/chemclipse/ux/extension/ui/provider/ISupplierFileEditorSupport.java

@@ -1,5 +1,5 @@
 /*******************************************************************************
- * Copyright (c) 2017, 2021 Lablicate GmbH.
+ * Copyright (c) 2017, 2023 Lablicate GmbH.
  * 
  * All rights reserved. This program and the accompanying materials
  * are made available under the terms of the Eclipse Public License v1.0
@@ -27,7 +27,7 @@
 import org.eclipse.chemclipse.support.ui.workbench.EditorSupport;
 import org.eclipse.chemclipse.ux.extension.ui.Activator;
 import org.eclipse.chemclipse.wsd.model.core.IChromatogramWSD;
-import org.eclipse.chemclipse.xir.model.core.IScanXIR;
+import org.eclipse.chemclipse.xir.model.core.ISpectrumXIR;
 import org.eclipse.e4.ui.model.application.MApplication;
 import org.eclipse.e4.ui.model.application.ui.basic.MBasicFactory;
 import org.eclipse.e4.ui.model.application.ui.basic.MPart;
@@ -99,7 +99,7 @@ default void openEditor(File file, Object object, String elementId, String contr
 					part.setLabel(((IChromatogram)object).getName() + type);
 				} else if(object instanceof IMassSpectra) {
 					part.setLabel(((IMassSpectra)object).getName());
-				} else if(object instanceof IScanXIR) {
+				} else if(object instanceof ISpectrumXIR) {
 					part.setLabel("FTIR");
 				} else if(object instanceof IMeasurement) {
 					part.setLabel(((IMeasurement)object).getDataName());

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/editors/AbstractChromatogramEditor.java

@@ -71,6 +71,8 @@
 import org.eclipse.chemclipse.wsd.converter.chromatogram.ChromatogramConverterWSD;
 import org.eclipse.chemclipse.wsd.model.core.IChromatogramWSD;
 import org.eclipse.chemclipse.wsd.model.core.selection.ChromatogramSelectionWSD;
+import org.eclipse.chemclipse.xir.model.core.IChromatogramISD;
+import org.eclipse.chemclipse.xir.model.core.selection.ChromatogramSelectionISD;
 import org.eclipse.chemclipse.xxd.process.support.ProcessTypeSupport;
 import org.eclipse.core.runtime.Adapters;
 import org.eclipse.core.runtime.IProgressMonitor;
@@ -365,6 +367,8 @@ private synchronized IChromatogramSelection loadChromatogram() {
 					chromatogramSelection = new ChromatogramSelectionCSD(chromatogram);
 				} else if(object instanceof IChromatogramWSD chromatogram) {
 					chromatogramSelection = new ChromatogramSelectionWSD(chromatogram);
+				} else if(object instanceof IChromatogramISD chromatogram) {
+					chromatogramSelection = new ChromatogramSelectionISD(chromatogram);
 				}
 				chromatogramFile = null;
 			}

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/editors/ChromatogramEditorISD.java

@@ -0,0 +1,34 @@
+/*******************************************************************************
+ * Copyright (c) 2023 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:
+ * Philip Wenig - initial API and implementation
+ *******************************************************************************/
+package org.eclipse.chemclipse.ux.extension.xxd.ui.editors;
+
+import javax.inject.Inject;
+
+import org.eclipse.chemclipse.model.types.DataType;
+import org.eclipse.chemclipse.processing.ui.E4ProcessSupplierContext;
+import org.eclipse.e4.core.contexts.IEclipseContext;
+import org.eclipse.e4.ui.model.application.ui.MDirtyable;
+import org.eclipse.e4.ui.model.application.ui.basic.MPart;
+import org.eclipse.swt.widgets.Composite;
+import org.eclipse.swt.widgets.Shell;
+
+public class ChromatogramEditorISD extends ChromatogramEditor {
+
+	public static final String ID = "org.eclipse.chemclipse.ux.extension.xxd.ui.part.chromatogramEditorISD";
+	public static final String CONTRIBUTION_URI = "bundleclass://org.eclipse.chemclipse.ux.extension.xxd.ui/org.eclipse.chemclipse.ux.extension.xxd.ui.editors.ChromatogramEditorISD";
+
+	@Inject
+	public ChromatogramEditorISD(Composite parent, MPart part, MDirtyable dirtyable, Shell shell, E4ProcessSupplierContext filterFactory, IEclipseContext eclipseContext) {
+
+		super(DataType.ISD, parent, part, dirtyable, shell, filterFactory, eclipseContext);
+	}
+}

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/editors/ScanEditorXIR.java

@@ -33,7 +33,7 @@
 import org.eclipse.chemclipse.ux.extension.xxd.ui.internal.runnables.ScanXIRImportRunnable;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.l10n.ExtensionMessages;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.swt.editors.ExtendedXIRScanUI;
-import org.eclipse.chemclipse.xir.model.core.IScanXIR;
+import org.eclipse.chemclipse.xir.model.core.ISpectrumXIR;
 import org.eclipse.e4.ui.di.Focus;
 import org.eclipse.e4.ui.di.Persist;
 import org.eclipse.e4.ui.model.application.MApplication;
@@ -64,7 +64,7 @@ public class ScanEditorXIR implements IScanEditorXIR {
 	private File scanFile;
 	private ExtendedXIRScanUI extendedScanXIREditorUI;
 	//
-	private IScanXIR scanXIR = null;
+	private ISpectrumXIR scanXIR = null;
 	//
 	private final Shell shell;
 
@@ -126,7 +126,7 @@ public boolean saveAs() {
 	}
 
 	@Override
-	public IScanXIR getScanSelection() {
+	public ISpectrumXIR getScanSelection() {
 
 		return scanXIR;
 	}
@@ -138,9 +138,9 @@ private void initialize(Composite parent) {
 		extendedScanXIREditorUI.update(scanXIR);
 	}
 
-	private synchronized IScanXIR loadScan() {
+	private synchronized ISpectrumXIR loadScan() {
 
-		IScanXIR scanXIR = null;
+		ISpectrumXIR scanXIR = null;
 		//
 		try {
 			Object object = part.getObject();
@@ -161,7 +161,7 @@ private synchronized IScanXIR loadScan() {
 		return scanXIR;
 	}
 
-	private IScanXIR loadScan(File file, boolean batch) {
+	private ISpectrumXIR loadScan(File file, boolean batch) {
 
 		ProgressMonitorDialog dialog = new ProgressMonitorDialog(shell);
 		ScanXIRImportRunnable runnable = new ScanXIRImportRunnable(file);

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/internal/runnables/ChromatogramImportRunnable.java

@@ -31,6 +31,9 @@
 import org.eclipse.chemclipse.wsd.converter.chromatogram.ChromatogramConverterWSD;
 import org.eclipse.chemclipse.wsd.model.core.IChromatogramWSD;
 import org.eclipse.chemclipse.wsd.model.core.selection.ChromatogramSelectionWSD;
+import org.eclipse.chemclipse.xir.converter.chromatogram.ChromatogramConverterISD;
+import org.eclipse.chemclipse.xir.model.core.IChromatogramISD;
+import org.eclipse.chemclipse.xir.model.core.selection.ChromatogramSelectionISD;
 import org.eclipse.core.runtime.IProgressMonitor;
 import org.eclipse.jface.operation.IRunnableWithProgress;
 
@@ -96,6 +99,11 @@ public void run(final IProgressMonitor monitor) throws InvocationTargetException
 						IChromatogramWSD chromatogramWSD = processingInfoWSD.getProcessingResult();
 						chromatogramSelections.add(new ChromatogramSelectionWSD(chromatogramWSD, fireUpdate));
 						break;
+					case ISD:
+						IProcessingInfo<IChromatogramISD> processingInfoISD = ChromatogramConverterISD.getInstance().convert(file, monitor);
+						IChromatogramISD chromatogramISD = processingInfoISD.getProcessingResult();
+						chromatogramSelections.add(new ChromatogramSelectionISD(chromatogramISD, fireUpdate));
+						break;
 					default:
 						// No action
 				}

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/internal/runnables/ScanXIRImportRunnable.java

@@ -18,7 +18,7 @@
 import org.eclipse.chemclipse.processing.core.IProcessingInfo;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.l10n.ExtensionMessages;
 import org.eclipse.chemclipse.xir.converter.core.ScanConverterXIR;
-import org.eclipse.chemclipse.xir.model.core.IScanXIR;
+import org.eclipse.chemclipse.xir.model.core.ISpectrumXIR;
 import org.eclipse.core.runtime.IProgressMonitor;
 import org.eclipse.jface.operation.IRunnableWithProgress;
 
@@ -27,14 +27,14 @@ public class ScanXIRImportRunnable implements IRunnableWithProgress {
 	private static final Logger logger = Logger.getLogger(ScanXIRImportRunnable.class);
 	//
 	private File file;
-	private IScanXIR scanXIR = null;
+	private ISpectrumXIR scanXIR = null;
 
 	public ScanXIRImportRunnable(File file) {
 
 		this.file = file;
 	}
 
-	public IScanXIR getScanXIR() {
+	public ISpectrumXIR getScanXIR() {
 
 		return scanXIR;
 	}
@@ -45,7 +45,7 @@ public void run(final IProgressMonitor monitor) throws InvocationTargetException
 		try {
 			monitor.beginTask(ExtensionMessages.importScan, IProgressMonitor.UNKNOWN);
 			IProcessingInfo<?> processingInfo = ScanConverterXIR.convert(file, monitor);
-			scanXIR = (IScanXIR)processingInfo.getProcessingResult();
+			scanXIR = (ISpectrumXIR)processingInfo.getProcessingResult();
 		} catch(Exception e) {
 			logger.error(e);
 		} finally {

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/l10n/ExtensionMessages.java

@@ -42,6 +42,7 @@ public class ExtensionMessages extends NLS {
 	public static String chromatogram;
 	public static String chromatogramFromProjectExplorer;
 	public static String chromatogramEditorTSD;
+	public static String chromatogramEditorISD;
 	public static String quantitationEditor;
 	public static String editorNMR;
 	public static String editorXIR;

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/l10n/messages.properties

@@ -36,6 +36,7 @@ saveChromatogram=Save Chromatogram
 chromatogram=Chromatogram
 chromatogramFromProjectExplorer=Chromatogram from Project Explorer
 chromatogramEditorTSD=Chromatogram Editor (TSD)
+chromatogramEditorISD=Chromatogram Editor (ISD)
 quantitationEditor=Quantitation Editor
 editorNMR=NMR Editor
 editorXIR=FTIR/NIR/MIR Editor

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/l10n/messages_de.properties

@@ -36,6 +36,7 @@ saveChromatogram=Chromatogramm Speichern
 chromatogram=Chromatogramm
 chromatogramFromProjectExplorer=Chromatogramm aus Projekt-Explorer
 chromatogramEditorTSD=Chromatogramm-Editor (TSD)
+chromatogramEditorISD=Chromatogramm-Editor (ISD)
 quantitationEditor=Quantifizierungs-Editor
 editorNMR=NMR-Editor
 editorXIR=FTIR/NIR/MIR-Editor

chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/part/support/EditorUpdateSupport.java

@@ -29,7 +29,7 @@
 import org.eclipse.chemclipse.ux.extension.ui.editors.IScanEditorNMR;
 import org.eclipse.chemclipse.ux.extension.ui.editors.IScanEditorXIR;
 import org.eclipse.chemclipse.ux.extension.xxd.ui.Activator;
-import org.eclipse.chemclipse.xir.model.core.IScanXIR;
+import org.eclipse.chemclipse.xir.model.core.ISpectrumXIR;
 import org.eclipse.e4.ui.model.application.MApplication;
 import org.eclipse.e4.ui.model.application.ui.basic.MPart;
 import org.eclipse.e4.ui.workbench.modeling.EModelService;
@@ -143,9 +143,9 @@ public List<IScanMSD> getMassSpectrumSelections() {
 		return dataSelections;
 	}
 
-	public List<IScanXIR> getScanSelectionsXIR() {
+	public List<ISpectrumXIR> getScanSelectionsXIR() {
 
-		List<IScanXIR> dataNMRSelections = new ArrayList<>();
+		List<ISpectrumXIR> dataNMRSelections = new ArrayList<>();
 		if(partService != null) {
 			/*
 			 * TODO: see message
@@ -158,7 +158,7 @@ public List<IScanXIR> getScanSelectionsXIR() {
 						/*
 						 * XIR
 						 */
-						IScanXIR selection = null;
+						ISpectrumXIR selection = null;
 						if(object instanceof IScanEditorXIR editor) {
 							selection = editor.getScanSelection();
 						}