diff --git a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/AbstractIdentifierDeltaPenaltyCalculationSettings.java b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/AbstractIdentifierDeltaPenaltyCalculationSettings.java index 8091380ab9..6f619139ff 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/AbstractIdentifierDeltaPenaltyCalculationSettings.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/AbstractIdentifierDeltaPenaltyCalculationSettings.java @@ -27,7 +27,7 @@ public class AbstractIdentifierDeltaPenaltyCalculationSettings extends AbstractI private DeltaCalculation deltaCalculation = DeltaCalculation.NONE; @JsonProperty(value = "Delta Window", defaultValue = "0") @JsonPropertyDescription(value = "Identify the peak if the unknown is inside of the delta window (delta -/+).") - @FloatSettingsProperty(minValue = IDeltaCalculationSettings.MIN_DELTA_WINDOW, maxValue = IDeltaCalculationSettings.MAX_DELTA_WINDOW) + @FloatSettingsProperty(minValue = MIN_DELTA_WINDOW, maxValue = MAX_DELTA_WINDOW) private float deltaWindow = 0.0f; /** * Penalty Calculation @@ -37,12 +37,12 @@ public class AbstractIdentifierDeltaPenaltyCalculationSettings extends AbstractI private PenaltyCalculation penaltyCalculation = PenaltyCalculation.NONE; @JsonProperty(value = "Penalty Window", defaultValue = "0") @JsonPropertyDescription(value = "The penalty window. The unit of the selected penalty calculation is used.") - @FloatSettingsProperty(minValue = IPenaltyCalculationSettings.MIN_PENALTY_WINDOW, maxValue = IPenaltyCalculationSettings.MAX_PENALTY_WINDOW) + @FloatSettingsProperty(minValue = MIN_PENALTY_WINDOW, maxValue = MAX_PENALTY_WINDOW) private float penaltyWindow = 0.0f; @JsonProperty(value = "Penalty Level Factor", defaultValue = "5.0") @JsonPropertyDescription(value = "The penalty level factor.") - @FloatSettingsProperty(minValue = IPenaltyCalculationSettings.MIN_PENALTY_LEVEL_FACTOR, maxValue = IPenaltyCalculationSettings.MAX_PENALTY_LEVEL_FACTOR) - private float penaltyLevelFactor = IPenaltyCalculationSettings.DEF_PENALTY_LEVEL_FACTOR; + @FloatSettingsProperty(minValue = MIN_PENALTY_LEVEL_FACTOR, maxValue = MAX_PENALTY_LEVEL_FACTOR) + private float penaltyLevelFactor = DEF_PENALTY_LEVEL_FACTOR; @JsonProperty(value = "Max Penalty", defaultValue = "20") @JsonPropertyDescription(value = "The max penalty. Values between 0 (no penalty) and 100 (max penalty) are allowed.") @FloatSettingsProperty(minValue = MIN_PENALTY_MATCH_FACTOR, maxValue = MAX_PENALTY_MATCH_FACTOR) @@ -119,4 +119,4 @@ public void setMaxPenalty(float maxPenalty) { this.maxPenalty = maxPenalty; } -} +} \ No newline at end of file diff --git a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IIdentifierSettings.java b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IIdentifierSettings.java index 9fc486636e..fb2e01e778 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IIdentifierSettings.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IIdentifierSettings.java @@ -34,4 +34,4 @@ public interface IIdentifierSettings extends IProcessSettings { * @param limitMatchFactor */ void setLimitMatchFactor(float limitMatchFactor); -} +} \ No newline at end of file diff --git a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IPenaltyCalculationSettings.java b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IPenaltyCalculationSettings.java index 83097a2e03..2e1dabca1f 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IPenaltyCalculationSettings.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/IPenaltyCalculationSettings.java @@ -32,20 +32,6 @@ public interface IPenaltyCalculationSettings extends IProcessSettings { float MIN_PENALTY_MATCH_FACTOR = 0.0f; float MAX_PENALTY_MATCH_FACTOR = 100.0f; - /** - * Limit Match Factor - * - * @return float - */ - float getLimitMatchFactor(); - - /** - * Only identify the peak if no target is available with a match factor >= the limit. - * - * @param limitMatchFactor - */ - void setLimitMatchFactor(float limitMatchFactor); - /** * Retention Time / Index Penalty Calculation */ @@ -64,4 +50,4 @@ public interface IPenaltyCalculationSettings extends IProcessSettings { float getMaxPenalty(); void setMaxPenalty(float maxValue); -} +} \ No newline at end of file diff --git a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/PenaltyCalculationSupport.java b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/PenaltyCalculationSupport.java index 8ce3076497..710bb79e92 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/PenaltyCalculationSupport.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.model/src/org/eclipse/chemclipse/model/identifier/PenaltyCalculationSupport.java @@ -117,4 +117,4 @@ public static double calculatePenalty(double valueUnknown, double valueReference return (result > maxPenalty) ? maxPenalty : result; } } -} +} \ No newline at end of file diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/META-INF/MANIFEST.MF b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/META-INF/MANIFEST.MF index e9a99c5a12..6f6e703fdc 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/META-INF/MANIFEST.MF +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/META-INF/MANIFEST.MF @@ -58,6 +58,7 @@ Service-Component: OSGI-INF/org.eclipse.chemclipse.xxd.filter.chromatogram.Inten OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.AreaFilter.xml, OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.AreaPercentFilter.xml, OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.AsymmetryFilter.xml, + OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.CalculatePenaltyFilter.xml, OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.ClassifiedPeaksFilter.xml, OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.DeleteIntegrationsFilter.xml, OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.DeletePeaksByModelFilter.xml, diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.CalculatePenaltyFilter.xml b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.CalculatePenaltyFilter.xml new file mode 100644 index 0000000000..5fa80987fc --- /dev/null +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/OSGI-INF/org.eclipse.chemclipse.xxd.filter.peaks.CalculatePenaltyFilter.xml @@ -0,0 +1,9 @@ + + + + + + + + + \ No newline at end of file diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/CalculatePenaltyFilter.java b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/CalculatePenaltyFilter.java new file mode 100644 index 0000000000..eb85ad06b1 --- /dev/null +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/CalculatePenaltyFilter.java @@ -0,0 +1,80 @@ +/******************************************************************************* + * Copyright (c) 2025 Lablicate GmbH. + * + * This program and the accompanying materials are made + * available under the terms of the Eclipse Public License 2.0 + * which is available at https://www.eclipse.org/legal/epl-2.0/ + * + * SPDX-License-Identifier: EPL-2.0 + * + * Contributors: + * Philip Wenig - initial API and implementation + *******************************************************************************/ +package org.eclipse.chemclipse.xxd.filter.peaks; + +import java.util.Collection; +import java.util.Set; + +import org.eclipse.chemclipse.model.core.IPeak; +import org.eclipse.chemclipse.model.core.IPeakModel; +import org.eclipse.chemclipse.model.core.IScan; +import org.eclipse.chemclipse.model.filter.IPeakFilter; +import org.eclipse.chemclipse.model.identifier.IComparisonResult; +import org.eclipse.chemclipse.model.identifier.IIdentificationTarget; +import org.eclipse.chemclipse.model.identifier.ILibraryInformation; +import org.eclipse.chemclipse.model.identifier.PenaltyCalculationSupport; +import org.eclipse.chemclipse.model.selection.IChromatogramSelection; +import org.eclipse.chemclipse.processing.Processor; +import org.eclipse.chemclipse.processing.filter.Filter; +import org.eclipse.chemclipse.processing.supplier.ProcessExecutionContext; +import org.eclipse.chemclipse.xxd.filter.peaks.settings.PenaltyCalculatorFilterSettings; +import org.eclipse.core.runtime.SubMonitor; +import org.osgi.service.component.annotations.Component; + +@Component(service = {IPeakFilter.class, Filter.class, Processor.class}) +public class CalculatePenaltyFilter extends AbstractPeakFilter { + + @Override + public String getName() { + + return "Penalty Calculator"; + } + + @Override + public String getDescription() { + + return "Calculate match penalties based on RT or RI deviations of unknown and library hit."; + } + + @Override + public Class getConfigClass() { + + return PenaltyCalculatorFilterSettings.class; + } + + @Override + public void filterPeaks(IChromatogramSelection chromatogramSelection, PenaltyCalculatorFilterSettings configuration, ProcessExecutionContext context) throws IllegalArgumentException { + + Collection peaks = getReadOnlyPeaks(chromatogramSelection); + if(configuration == null) { + configuration = createConfiguration(peaks); + } + + SubMonitor subMonitor = SubMonitor.convert(context.getProgressMonitor(), peaks.size()); + for(IPeak peak : peaks) { + Set targets = peak.getTargets(); + for(IIdentificationTarget identificationTarget : targets) { + IComparisonResult comparisonResult = identificationTarget.getComparisonResult(); + ILibraryInformation libraryInformation = identificationTarget.getLibraryInformation(); + IPeakModel peakModel = peak.getPeakModel(); + IScan scan = peakModel.getPeakMaximum(); + int retentionTimeUnknown = scan.getRetentionTime(); + float retentionIndexUnknown = scan.getRetentionIndex(); + int retentionTimeReference = libraryInformation.getRetentionTime(); + float retentionIndexReference = libraryInformation.getRetentionIndex(); + PenaltyCalculationSupport.applyPenalty(retentionTimeUnknown, retentionIndexUnknown, retentionTimeReference, retentionIndexReference, comparisonResult, configuration); + } + subMonitor.worked(1); + } + } +} \ No newline at end of file diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/DeleteTargetsFilter.java b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/DeleteTargetsFilter.java index d593561d72..1e1a89092b 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/DeleteTargetsFilter.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/DeleteTargetsFilter.java @@ -20,7 +20,7 @@ import org.eclipse.chemclipse.processing.Processor; import org.eclipse.chemclipse.processing.filter.Filter; import org.eclipse.chemclipse.processing.supplier.ProcessExecutionContext; -import org.eclipse.chemclipse.xxd.filter.settings.DeleteTargetsFilterSettings; +import org.eclipse.chemclipse.xxd.filter.peaks.settings.DeleteTargetsFilterSettings; import org.eclipse.chemclipse.xxd.filter.targets.TargetsFilter; import org.eclipse.core.runtime.SubMonitor; import org.osgi.service.component.annotations.Component; diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/settings/DeleteTargetsFilterSettings.java b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/DeleteTargetsFilterSettings.java similarity index 96% rename from chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/settings/DeleteTargetsFilterSettings.java rename to chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/DeleteTargetsFilterSettings.java index 8873e7ec5e..fb2ecfbc38 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/settings/DeleteTargetsFilterSettings.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/DeleteTargetsFilterSettings.java @@ -10,7 +10,7 @@ * Contributors: * Philip Wenig - initial API and implementation *******************************************************************************/ -package org.eclipse.chemclipse.xxd.filter.settings; +package org.eclipse.chemclipse.xxd.filter.peaks.settings; import org.eclipse.chemclipse.support.settings.StringSettingsProperty; import org.eclipse.chemclipse.xxd.filter.support.TargetsDeleteOption; diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/PenaltyCalculatorFilterSettings.java b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/PenaltyCalculatorFilterSettings.java new file mode 100644 index 0000000000..0b46555569 --- /dev/null +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/PenaltyCalculatorFilterSettings.java @@ -0,0 +1,113 @@ +/******************************************************************************* + * Copyright (c) 2025 Lablicate GmbH. + * + * This program and the accompanying materials are made + * available under the terms of the Eclipse Public License 2.0 + * which is available at https://www.eclipse.org/legal/epl-2.0/ + * + * SPDX-License-Identifier: EPL-2.0 + * + * Contributors: + * Philip Wenig - initial API and implementation + *******************************************************************************/ +package org.eclipse.chemclipse.xxd.filter.peaks.settings; + +import java.util.ArrayList; +import java.util.List; + +import org.eclipse.chemclipse.logging.core.Logger; +import org.eclipse.chemclipse.model.identifier.IPenaltyCalculationSettings; +import org.eclipse.chemclipse.model.identifier.PenaltyCalculation; +import org.eclipse.chemclipse.support.literature.LiteratureReference; +import org.eclipse.chemclipse.support.settings.FloatSettingsProperty; + +import com.fasterxml.jackson.annotation.JsonProperty; +import com.fasterxml.jackson.annotation.JsonPropertyDescription; + +public class PenaltyCalculatorFilterSettings implements IPenaltyCalculationSettings { + + private static final Logger logger = Logger.getLogger(PenaltyCalculatorFilterSettings.class); + + @JsonProperty(value = "Penalty Calculation", defaultValue = "NONE") + @JsonPropertyDescription(value = "Select the strategy, how penalties are calculated.") + private PenaltyCalculation penaltyCalculation = PenaltyCalculation.NONE; + @JsonProperty(value = "Penalty Window", defaultValue = "0") + @JsonPropertyDescription(value = "The penalty window. The unit of the selected penalty calculation is used.") + @FloatSettingsProperty(minValue = IPenaltyCalculationSettings.MIN_PENALTY_WINDOW, maxValue = IPenaltyCalculationSettings.MAX_PENALTY_WINDOW) + private float penaltyWindow = 0.0f; + @JsonProperty(value = "Penalty Level Factor", defaultValue = "5.0") + @JsonPropertyDescription(value = "The penalty level factor.") + @FloatSettingsProperty(minValue = IPenaltyCalculationSettings.MIN_PENALTY_LEVEL_FACTOR, maxValue = IPenaltyCalculationSettings.MAX_PENALTY_LEVEL_FACTOR) + private float penaltyLevelFactor = IPenaltyCalculationSettings.DEF_PENALTY_LEVEL_FACTOR; + @JsonProperty(value = "Max Penalty", defaultValue = "20") + @JsonPropertyDescription(value = "The max penalty. Values between 0 (no penalty) and 100 (max penalty) are allowed.") + @FloatSettingsProperty(minValue = IPenaltyCalculationSettings.MIN_PENALTY_MATCH_FACTOR, maxValue = IPenaltyCalculationSettings.MAX_PENALTY_MATCH_FACTOR) + private float maxPenalty = IPenaltyCalculationSettings.DEF_PENALTY_MATCH_FACTOR; + + @Override + public PenaltyCalculation getPenaltyCalculation() { + + return penaltyCalculation; + } + + @Override + public void setPenaltyCalculation(PenaltyCalculation penaltyCalculation) { + + this.penaltyCalculation = penaltyCalculation; + } + + @Override + public float getPenaltyWindow() { + + return penaltyWindow; + } + + @Override + public void setPenaltyWindow(float penaltyWindow) { + + this.penaltyWindow = penaltyWindow; + } + + @Override + public float getPenaltyLevelFactor() { + + return penaltyLevelFactor; + } + + @Override + public void setPenaltyLevelFactor(float penaltyLevelFactor) { + + this.penaltyLevelFactor = penaltyLevelFactor; + } + + @Override + public float getMaxPenalty() { + + return maxPenalty; + } + + @Override + public void setMaxPenalty(float maxPenalty) { + + this.maxPenalty = maxPenalty; + } + + @Override + public List getLiteratureReferences() { + + List literatureReferences = new ArrayList<>(); + literatureReferences.add(createLiteratureReference("S1044030599000471.ris", "10.1016/S1044-0305(99)00047-1")); + // + return literatureReferences; + } + + private static LiteratureReference createLiteratureReference(String file, String doi) { + + try { + return new LiteratureReference(new String(PenaltyCalculatorFilterSettings.class.getResourceAsStream(file).readAllBytes())); + } catch(Exception e) { + logger.warn(e); + return new LiteratureReference(doi); + } + } +} \ No newline at end of file diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/S1044030599000471.ris b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/S1044030599000471.ris new file mode 100644 index 0000000000..5a49d6f65e --- /dev/null +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/peaks/settings/S1044030599000471.ris @@ -0,0 +1,15 @@ +TY - JOUR +T1 - An integrated method for spectrum extraction and compound identification from gas chromatography/mass spectrometry data +AU - Stein, S.E. +JO - Journal of the American Society for Mass Spectrometry +VL - 10 +IS - 8 +SP - 770 +EP - 781 +PY - 1999 +DA - 1999/08/01/ +SN - 1044-0305 +DO - https://doi.org/10.1016/S1044-0305(99)00047-1 +UR - https://www.sciencedirect.com/science/article/pii/S1044030599000471 +AB - A method is presented for extracting individual component spectra from gas chromatography/mass spectrometry (GC/MS) data files and then using these spectra to identify target compounds by matching spectra in a reference library. It extends a published “model peak” approach which uses selected ion chromatograms as models for component shape. On the basis of this shape, individual mass spectral peak abundance profiles are extracted to produce a “purified” spectrum. In the present work, ion-counting noise is explicitly treated and a number of characteristic features of GC/MS data are taken into account. This allows spectrum extraction to be reliably performed down to very low signal levels and for overlapping components. A spectrum match factor for compound identification is developed that incorporates a number of new corrections, some of which employ information derived from chromatographic behavior. Test results suggest that the ability of this system to identify compounds is comparable to that of conventional analysis. +ER - diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/scans/DeleteTargetsFilter.java b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/scans/DeleteTargetsFilter.java index 514665b288..a522cd26ff 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/scans/DeleteTargetsFilter.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/scans/DeleteTargetsFilter.java @@ -22,7 +22,7 @@ import org.eclipse.chemclipse.processing.core.ProcessingMessage; import org.eclipse.chemclipse.processing.filter.Filter; import org.eclipse.chemclipse.processing.filter.FilterList; -import org.eclipse.chemclipse.xxd.filter.settings.DeleteTargetsFilterSettings; +import org.eclipse.chemclipse.xxd.filter.peaks.settings.DeleteTargetsFilterSettings; import org.eclipse.chemclipse.xxd.filter.targets.TargetsFilter; import org.eclipse.core.runtime.IProgressMonitor; import org.eclipse.core.runtime.SubMonitor; diff --git a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter.java b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter.java index 14dc74e775..4ec809c50e 100644 --- a/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter.java +++ b/chemclipse/plugins/org.eclipse.chemclipse.xxd.filter/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter.java @@ -26,7 +26,7 @@ import org.eclipse.chemclipse.model.core.IScan; import org.eclipse.chemclipse.model.core.ITargetSupplier; import org.eclipse.chemclipse.model.identifier.IIdentificationTarget; -import org.eclipse.chemclipse.xxd.filter.settings.DeleteTargetsFilterSettings; +import org.eclipse.chemclipse.xxd.filter.peaks.settings.DeleteTargetsFilterSettings; public class TargetsFilter { diff --git a/chemclipse/tests/org.eclipse.chemclipse.xxd.filter.fragment.test/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter_1_Test.java b/chemclipse/tests/org.eclipse.chemclipse.xxd.filter.fragment.test/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter_1_Test.java index 6293e6773d..7040361fcd 100644 --- a/chemclipse/tests/org.eclipse.chemclipse.xxd.filter.fragment.test/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter_1_Test.java +++ b/chemclipse/tests/org.eclipse.chemclipse.xxd.filter.fragment.test/src/org/eclipse/chemclipse/xxd/filter/targets/TargetsFilter_1_Test.java @@ -21,7 +21,7 @@ import org.eclipse.chemclipse.model.identifier.ILibraryInformation; import org.eclipse.chemclipse.model.identifier.LibraryInformation; import org.eclipse.chemclipse.model.implementation.IdentificationTarget; -import org.eclipse.chemclipse.xxd.filter.settings.DeleteTargetsFilterSettings; +import org.eclipse.chemclipse.xxd.filter.peaks.settings.DeleteTargetsFilterSettings; import org.eclipse.chemclipse.xxd.filter.support.TargetsDeleteOption; import junit.framework.TestCase;