Package org.bmdrc.mass

Examples of org.bmdrc.mass.PeakList


    public PeakList getTestPeakList() {
        return itsTestPeakList;
    }

    public void setTestPeakList(PeakList theTestPeakList) {
        this.itsTestPeakList = new PeakList(theTestPeakList);
    }
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    public PeakList setTestPeakList() {
        return itsTestPeakList;
    }

    public PeakList calculateNovelPeakList() {
        PeakList theNovelPeakList = new PeakList();
       
       for(PeakUnit theTestPeak : this.getTestPeakList().getPeakList()) {
           if(!this.getOriginalPeakList().containsWeight(theTestPeak)) {
               theNovelPeakList.addPeak(theTestPeak);
           }
       }
       
        return theNovelPeakList;
    }
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    private PeakList __findNovelPeakList(File theDir) throws FileNotFoundException, IOException {
        String the20ScanFileName = this.getFrame().getFilePathTextFieldList().get(this.TWENTY_SCAN_FILE_NAME_INDEX).getText();
        String the500ScanFileName = this.getFrame().getFilePathTextFieldList().get(this.FIVE_HUNDRED_SCAN_FILE_NAME_INDEX).getText();
        Double the20ScanShift = Double.parseDouble(this.getFrame().getFilePathTextFieldList().get(this.TWENTY_SCAN_PEAK_SHIFT_INDEX).getText());
        Double the500ScanShift = Double.parseDouble(this.getFrame().getFilePathTextFieldList().get(this.FIVE_HUNDRED_SCAN_PEAK_SHIFT_INDEX).getText());
        PeakList the20ScanPeakList = new PeakList(new File(theDir + "\\" + the20ScanFileName), ",");
        PeakList the500ScanPeakList = new PeakList(new File(theDir + "\\" + the500ScanFileName), ",");

        the20ScanPeakList.shiftWeight(the20ScanShift);
        the500ScanPeakList.shiftWeight(the500ScanShift);

        NovelPeakFinder theNovelPeakFinder = new NovelPeakFinder(the20ScanPeakList, the500ScanPeakList);

        return theNovelPeakFinder.calculateNovelPeakList();
    }
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