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Resort Peak/Scan List columns #2049

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Jan 27, 2025
Merged

Resort Peak/Scan List columns #2049

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90 changes: 45 additions & 45 deletions ...g/eclipse/chemclipse/ux/extension/xxd/ui/internal/provider/PeakScanListLabelProvider.java
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
/*******************************************************************************
* Copyright (c) 2018, 2024 Lablicate GmbH.
* Copyright (c) 2018, 2025 Lablicate GmbH.
*
* All rights reserved. This program and the accompanying materials
* are made available under the terms of the Eclipse Public License v1.0
Expand Down Expand Up @@ -76,6 +76,8 @@ public class PeakScanListLabelProvider extends AbstractChemClipseLabelProvider {
ACTIVE_FOR_ANALYSIS, //
TYPE, //
RETENTION_TIME, //
AREA_PERCENT, //
BEST_TARGET, //
RELATIVE_RETENTION_TIME, //
RETENTION_INDEX, //
AREA_TOTAL, //
Expand All @@ -90,21 +92,19 @@ public class PeakScanListLabelProvider extends AbstractChemClipseLabelProvider {
DETECTOR, //
INTEGRATOR, //
SUGGESTED_COMPONENTS, //
BEST_TARGET, //
AREA_PERCENT, //
QUANTIFIER, //
CLASSIFIER, //
PEAK_MODEL //
};
//
public static final int[] BOUNDS = { //
30, //
80, //
100, //
100, //
60, //
60, //
60, //
180, //
100, //
100, //
60, //
100, //
100, //
100, //
Expand Down Expand Up @@ -185,7 +185,7 @@ private String getPeakText(IPeak peak, int columnIndex) {
IPeakModel peakModel = peak.getPeakModel();
DecimalFormat decimalFormat = getDecimalFormat();
String text = BLANK;
//

switch(columnIndex) {
case 0:
text = BLANK;
Expand All @@ -197,35 +197,47 @@ private String getPeakText(IPeak peak, int columnIndex) {
text = decimalFormat.format(peakModel.getRetentionTimeAtPeakMaximum() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
break;
case 3:
text = decimalFormat.format(peakModel.getPeakMaximum().getRelativeRetentionTime() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
if(chromatogramPeakArea > 0) {
DecimalFormat decimalFormatPercent = ValueFormat.getDecimalFormatEnglish("0.000");
double peakAreaPercent = (100.0d / chromatogramPeakArea) * peak.getIntegratedArea();
text = decimalFormatPercent.format(peakAreaPercent);
} else {
text = NO_VALUE;
}
break;
case 4:
text = TargetSupport.getBestTargetLibraryField(peak);
break;
case 5:
text = decimalFormat.format(peakModel.getPeakMaximum().getRelativeRetentionTime() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
break;
case 6:
if(PreferenceSupplierModel.showRetentionIndexWithoutDecimals()) {
DecimalFormat integerFormat = getIntegerDecimalFormatInstance();
text = integerFormat.format(peakModel.getPeakMaximum().getRetentionIndex());
} else {
text = decimalFormat.format(peakModel.getPeakMaximum().getRetentionIndex());
}
break;
case 5:
case 7:
if(PreferenceSupplierModel.showAreaWithoutDecimals()) {
DecimalFormat integerFormat = getIntegerDecimalFormatInstance();
text = integerFormat.format(peak.getIntegratedArea());
} else {
text = decimalFormat.format(peak.getIntegratedArea());
}
break;
case 6:
case 8:
text = decimalFormat.format(peakModel.getStartRetentionTime() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
break;
case 7:
case 9:
text = decimalFormat.format(peakModel.getStopRetentionTime() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
break;
case 8:
case 10:
text = decimalFormat.format(peakModel.getWidthByInflectionPoints() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
break;
case 9:
case 10:
case 11:
case 12:
if(peak instanceof IChromatogramPeakMSD chromatogramPeak) {
switch(columnIndex) {
case 9:
Expand Down Expand Up @@ -256,35 +268,23 @@ private String getPeakText(IPeak peak, int columnIndex) {
}
}
break;
case 11:
text = decimalFormat.format(peakModel.getLeading());
break;
case 12:
text = decimalFormat.format(peakModel.getTailing());
break;
case 13:
text = peak.getModelDescription();
text = decimalFormat.format(peakModel.getLeading());
break;
case 14:
text = peak.getDetectorDescription();
text = decimalFormat.format(peakModel.getTailing());
break;
case 15:
text = peak.getIntegratorDescription();
text = peak.getModelDescription();
break;
case 16:
text = Integer.toString(peak.getSuggestedNumberOfComponents());
text = peak.getDetectorDescription();
break;
case 17:
text = TargetSupport.getBestTargetLibraryField(peak);
text = peak.getIntegratorDescription();
break;
case 18:
if(chromatogramPeakArea > 0) {
DecimalFormat decimalFormatPercent = ValueFormat.getDecimalFormatEnglish("0.000");
double peakAreaPercent = (100.0d / chromatogramPeakArea) * peak.getIntegratedArea();
text = decimalFormatPercent.format(peakAreaPercent);
} else {
text = NO_VALUE;
}
text = Integer.toString(peak.getSuggestedNumberOfComponents());
break;
case 19:
text = (!peak.getInternalStandards().isEmpty()) ? ISTD : BLANK;
Expand All @@ -296,15 +296,15 @@ private String getPeakText(IPeak peak, int columnIndex) {
text = peakModel.isStrictModel() ? "S" : "";
break;
}
//

return text;
}

private String getScanText(IScan scan, int columnIndex) {

DecimalFormat decimalFormat = getDecimalFormat();
String text = BLANK;
//

switch(columnIndex) {
case 0:
text = BLANK;
Expand All @@ -316,40 +316,40 @@ private String getScanText(IScan scan, int columnIndex) {
text = decimalFormat.format(scan.getRetentionTime() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
break;
case 3:
text = decimalFormat.format(scan.getRelativeRetentionTime() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
text = NO_VALUE;
break;
case 4:
text = TargetSupport.getBestTargetLibraryField(scan);
break;
case 5:
text = decimalFormat.format(scan.getRelativeRetentionTime() / IChromatogramOverview.MINUTE_CORRELATION_FACTOR);
break;
case 6:
if(PreferenceSupplierModel.showRetentionIndexWithoutDecimals()) {
DecimalFormat integerFormat = getIntegerDecimalFormatInstance();
text = integerFormat.format(scan.getRetentionIndex());
} else {
text = decimalFormat.format(scan.getRetentionIndex());
}
break;
case 5:
case 6:
case 7:
case 8:
case 9:
case 10:
case 11:
case 12:
text = NO_VALUE;
break;
case 13:
text = BLANK;
break;
case 14:
text = NO_VALUE;
break;
case 15:
text = NO_VALUE;
text = BLANK;
break;
case 16:
text = NO_VALUE;
break;
case 17:
text = TargetSupport.getBestTargetLibraryField(scan);
text = NO_VALUE;
break;
case 18:
text = NO_VALUE;
Expand All @@ -360,7 +360,7 @@ private String getScanText(IScan scan, int columnIndex) {
text = BLANK;
break;
}
//

return text;
}

Expand Down
54 changes: 27 additions & 27 deletions ...eclipse/chemclipse/ux/extension/xxd/ui/internal/provider/PeakScanListTableComparator.java
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
/*******************************************************************************
* Copyright (c) 2018, 2024 Lablicate GmbH.
* Copyright (c) 2018, 2025 Lablicate GmbH.
*
* All rights reserved. This program and the accompanying materials
* are made available under the terms of the Eclipse Public License v1.0
Expand Down Expand Up @@ -74,25 +74,39 @@ private int getSortOrder(Object object1, Object object2) {
sortOrder = Integer.compare(getRetentionTime(object2), getRetentionTime(object1));
break;
case 3:
sortOrder = Integer.compare(getRelativeRetentionTime(object2), getRelativeRetentionTime(object1));
if(chromatogramPeakArea > 0) {
double factor = 100.0d / chromatogramPeakArea;
double peakAreaPercent1 = factor * getIntegratedArea(object1);
double peakAreaPercent2 = factor * getIntegratedArea(object2);
return Double.compare(peakAreaPercent2, peakAreaPercent1);
}
sortOrder = 0;
break;
case 4:
sortOrder = Float.compare(getRetentionIndex(object2), getRetentionIndex(object1));
String name1 = TargetSupport.getBestTargetLibraryField(object1);
String name2 = TargetSupport.getBestTargetLibraryField(object2);
sortOrder = PreferenceSupplierModel.isSortCaseSensitive() ? name2.compareTo(name1) : name2.compareToIgnoreCase(name1);
break;
case 5:
sortOrder = Double.compare(getIntegratedArea(object2), getIntegratedArea(object1));
sortOrder = Integer.compare(getRelativeRetentionTime(object2), getRelativeRetentionTime(object1));
break;
case 6:
sortOrder = Integer.compare(getStartRetentionTime(object2), getStartRetentionTime(object1));
sortOrder = Float.compare(getRetentionIndex(object2), getRetentionIndex(object1));
break;
case 7:
sortOrder = Integer.compare(getStopRetentionTime(object2), getStopRetentionTime(object1));
sortOrder = Double.compare(getIntegratedArea(object2), getIntegratedArea(object1));
break;
case 8:
sortOrder = Integer.compare(getWidth(object2), getWidth(object1));
sortOrder = Integer.compare(getStartRetentionTime(object2), getStartRetentionTime(object1));
break;
case 9:
sortOrder = Integer.compare(getStopRetentionTime(object2), getStopRetentionTime(object1));
break;
case 10:
sortOrder = Integer.compare(getWidth(object2), getWidth(object1));
break;
case 11:
case 12:
if(object1 instanceof IChromatogramPeakMSD chromatogramPeak1 && object2 instanceof IChromatogramPeakMSD chromatogramPeak2) {
switch(getPropertyIndex()) {
case 9:
Expand Down Expand Up @@ -122,37 +136,23 @@ private int getSortOrder(Object object1, Object object2) {
}
}
break;
case 11:
sortOrder = Float.compare(getLeading(object2), getLeading(object1));
break;
case 12:
sortOrder = Float.compare(getTailing(object2), getTailing(object1));
break;
case 13:
sortOrder = getModelDescription(object2).compareTo(getModelDescription(object1));
sortOrder = Float.compare(getLeading(object2), getLeading(object1));
break;
case 14:
sortOrder = getDetectorDescription(object2).compareTo(getDetectorDescription(object1));
sortOrder = Float.compare(getTailing(object2), getTailing(object1));
break;
case 15:
sortOrder = getIntegratorDescription(object2).compareTo(getIntegratorDescription(object1));
sortOrder = getModelDescription(object2).compareTo(getModelDescription(object1));
break;
case 16:
sortOrder = Integer.compare(getSuggestedNumberOfComponents(object2), getSuggestedNumberOfComponents(object1));
sortOrder = getDetectorDescription(object2).compareTo(getDetectorDescription(object1));
break;
case 17:
String name1 = TargetSupport.getBestTargetLibraryField(object1);
String name2 = TargetSupport.getBestTargetLibraryField(object2);
sortOrder = PreferenceSupplierModel.isSortCaseSensitive() ? name2.compareTo(name1) : name2.compareToIgnoreCase(name1);
sortOrder = getIntegratorDescription(object2).compareTo(getIntegratorDescription(object1));
break;
case 18:
if(chromatogramPeakArea > 0) {
double factor = 100.0d / chromatogramPeakArea;
double peakAreaPercent1 = factor * getIntegratedArea(object1);
double peakAreaPercent2 = factor * getIntegratedArea(object2);
return Double.compare(peakAreaPercent2, peakAreaPercent1);
}
sortOrder = 0;
sortOrder = Integer.compare(getSuggestedNumberOfComponents(object2), getSuggestedNumberOfComponents(object1));
break;
case 19:
sortOrder = Integer.compare(getInternalStandards(object2), getInternalStandards(object1));
Expand Down
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