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Example 1 with TICSumDataSet

use of net.sf.mzmine.modules.visualization.tic.TICSumDataSet in project mzmine2 by mzmine.

the class KovatsIndexExtractionDialog method updateChart.

private void updateChart() {
    updateParameterSetFromComponents();
    if (selectedDataFile == null)
        return;
    try {
        // old charts axes ranges
        org.jfree.data.Range domainZoom = chart == null ? null : chart.getChart().getXYPlot().getDomainAxis().getRange();
        org.jfree.data.Range rangeZoom = chart == null ? null : chart.getChart().getXYPlot().getRangeAxis().getRange();
        Range<Double> rangeMZ = parameterSet.getParameter(KovatsIndexExtractionParameters.mzRange).getValue();
        Range<Double> rangeRT = parameterSet.getParameter(KovatsIndexExtractionParameters.rtRange).getValue();
        if (rangeMZ == null) {
            // set range to specific alkane fragment
            rangeMZ = Range.closed(56.6, 57.5);
            ((MZRangeComponent) getComponentForParameter(KovatsIndexExtractionParameters.mzRange)).setValue(rangeMZ);
        }
        if (rangeRT == null) {
            rangeRT = selectedDataFile[0].getDataRTRange();
            ((RTRangeComponent) getComponentForParameter(KovatsIndexExtractionParameters.rtRange)).setValue(rangeRT);
        }
        // create dataset
        TICSumDataSet data = new TICSumDataSet(selectedDataFile, rangeRT, rangeMZ, null, TICPlotType.BASEPEAK);
        chart = new TICPlot(this);
        chart.addTICDataset(data);
        if (domainZoom != null)
            chart.getChart().getXYPlot().getDomainAxis().setRange(domainZoom);
        if (rangeZoom != null)
            chart.getChart().getXYPlot().getRangeAxis().setRange(rangeZoom);
        // add control for markers
        chart.getGestureAdapter().addGestureHandler(new ChartGestureDragDiffHandler(Entity.PLOT, Button.BUTTON1, new Key[] { Key.NONE }, e -> handleMarkerDrag(e)));
        chart.getGestureAdapter().addGestureHandler(new ChartGestureHandler(new ChartGesture(Entity.PLOT, Event.RELEASED), e -> {
            if (chart != null)
                chart.setMouseZoomable(true);
            if (currentlyDraggedMarker != null) {
                // set value of current marker
                logger.info("Marker dragging ended at " + currentlyDraggedMarker.getValue());
                int index = markers.indexOf(currentlyDraggedMarker);
                double value = e.getCoordinates().getX();
                setValue(index, value);
                // 
                currentlyDraggedMarker = null;
            }
        }));
        kovatsValuesChanged();
        pnChart.removeAll();
        pnChart.add(chart, BorderLayout.CENTER);
        revalidate();
        repaint();
    } catch (Exception e) {
        logger.log(Level.WARNING, "Peak picking parameters incorrect");
    }
}
Also used : Color(java.awt.Color) StringComponent(net.sf.mzmine.parameters.parametertypes.StringComponent) Arrays(java.util.Arrays) FileAndPathUtil(net.sf.mzmine.util.files.FileAndPathUtil) ChartGestureHandler(net.sf.mzmine.chartbasics.gestures.ChartGestureHandler) ValueMarker(org.jfree.chart.plot.ValueMarker) MultiChoiceComponent(net.sf.mzmine.parameters.parametertypes.MultiChoiceComponent) ParameterSet(net.sf.mzmine.parameters.ParameterSet) Event(net.sf.mzmine.chartbasics.gestures.ChartGesture.Event) JFileChooser(javax.swing.JFileChooser) BorderLayout(java.awt.BorderLayout) JComboBox(javax.swing.JComboBox) Image(java.awt.Image) Key(net.sf.mzmine.chartbasics.gestures.ChartGesture.Key) Font(java.awt.Font) Range(com.google.common.collect.Range) MZRangeComponent(net.sf.mzmine.parameters.parametertypes.ranges.MZRangeComponent) Icon(javax.swing.Icon) Logger(java.util.logging.Logger) StandardCharsets(java.nio.charset.StandardCharsets) Box(javax.swing.Box) ChartGestureDragDiffEvent(net.sf.mzmine.chartbasics.gestures.ChartGestureDragDiffEvent) Dimension(java.awt.Dimension) List(java.util.List) Stream(java.util.stream.Stream) XYDataset(org.jfree.data.xy.XYDataset) Entry(java.util.Map.Entry) JCheckBox(javax.swing.JCheckBox) Entity(net.sf.mzmine.chartbasics.gestures.ChartGesture.Entity) RTRangeComponent(net.sf.mzmine.parameters.parametertypes.ranges.RTRangeComponent) BasicStroke(java.awt.BasicStroke) JPanel(javax.swing.JPanel) MZmineCore(net.sf.mzmine.main.MZmineCore) ColorPalettes(net.sf.mzmine.util.ColorPalettes) JTextField(javax.swing.JTextField) FileNameExtensionFilter(javax.swing.filechooser.FileNameExtensionFilter) MzRangeFormulaCalculatorModule(net.sf.mzmine.modules.tools.mzrangecalculator.MzRangeFormulaCalculatorModule) RawDataFile(net.sf.mzmine.datamodel.RawDataFile) ArrayUtils(org.apache.commons.lang3.ArrayUtils) NumberFormat(java.text.NumberFormat) Button(net.sf.mzmine.chartbasics.gestures.ChartGesture.Button) ArrayList(java.util.ArrayList) Level(java.util.logging.Level) GridLayout(java.awt.GridLayout) IntegerComponent(net.sf.mzmine.parameters.parametertypes.IntegerComponent) FileNameComponent(net.sf.mzmine.parameters.parametertypes.filenames.FileNameComponent) DelayedDocumentListener(net.sf.mzmine.framework.listener.DelayedDocumentListener) Files(com.google.common.io.Files) ChartGesture(net.sf.mzmine.chartbasics.gestures.ChartGesture) TxtWriter(net.sf.mzmine.util.io.TxtWriter) ImageIcon(javax.swing.ImageIcon) TICPlot(net.sf.mzmine.modules.visualization.tic.TICPlot) ParameterSetupDialog(net.sf.mzmine.parameters.dialogs.ParameterSetupDialog) BoxLayout(javax.swing.BoxLayout) Stroke(java.awt.Stroke) FlowLayout(java.awt.FlowLayout) MZTolerance(net.sf.mzmine.parameters.parametertypes.tolerances.MZTolerance) JButton(javax.swing.JButton) KovatsIndex(net.sf.mzmine.modules.tools.kovats.KovatsValues.KovatsIndex) TICPlotType(net.sf.mzmine.modules.visualization.tic.TICPlotType) MigLayout(net.miginfocom.swing.MigLayout) Window(java.awt.Window) DecimalFormat(java.text.DecimalFormat) RawDataFilesSelection(net.sf.mzmine.parameters.parametertypes.selectors.RawDataFilesSelection) TICSumDataSet(net.sf.mzmine.modules.visualization.tic.TICSumDataSet) IOException(java.io.IOException) IonizationType(net.sf.mzmine.datamodel.IonizationType) File(java.io.File) Consumer(java.util.function.Consumer) RectangleInsets(org.jfree.chart.ui.RectangleInsets) TreeMap(java.util.TreeMap) ChartGestureDragDiffHandler(net.sf.mzmine.chartbasics.gestures.ChartGestureDragDiffHandler) JLabel(javax.swing.JLabel) RawDataFilesSelectionType(net.sf.mzmine.parameters.parametertypes.selectors.RawDataFilesSelectionType) DialogLoggerUtil(net.sf.mzmine.util.DialogLoggerUtil) DoubleComponent(net.sf.mzmine.parameters.parametertypes.DoubleComponent) MZRangeComponent(net.sf.mzmine.parameters.parametertypes.ranges.MZRangeComponent) TICSumDataSet(net.sf.mzmine.modules.visualization.tic.TICSumDataSet) IOException(java.io.IOException) ChartGesture(net.sf.mzmine.chartbasics.gestures.ChartGesture) RTRangeComponent(net.sf.mzmine.parameters.parametertypes.ranges.RTRangeComponent) TICPlot(net.sf.mzmine.modules.visualization.tic.TICPlot) ChartGestureDragDiffHandler(net.sf.mzmine.chartbasics.gestures.ChartGestureDragDiffHandler) Key(net.sf.mzmine.chartbasics.gestures.ChartGesture.Key) ChartGestureHandler(net.sf.mzmine.chartbasics.gestures.ChartGestureHandler)

Aggregations

Range (com.google.common.collect.Range)1 Files (com.google.common.io.Files)1 BasicStroke (java.awt.BasicStroke)1 BorderLayout (java.awt.BorderLayout)1 Color (java.awt.Color)1 Dimension (java.awt.Dimension)1 FlowLayout (java.awt.FlowLayout)1 Font (java.awt.Font)1 GridLayout (java.awt.GridLayout)1 Image (java.awt.Image)1 Stroke (java.awt.Stroke)1 Window (java.awt.Window)1 File (java.io.File)1 IOException (java.io.IOException)1 StandardCharsets (java.nio.charset.StandardCharsets)1 DecimalFormat (java.text.DecimalFormat)1 NumberFormat (java.text.NumberFormat)1 ArrayList (java.util.ArrayList)1 Arrays (java.util.Arrays)1 List (java.util.List)1