[chemclipse-dev] Chromatogram Peak Handling

[Philip Wenig <philip.wenig@xxxxxxxxxxxxx>]

Hi folks,

I've improved the peak handling today. The peaks of a chromatogram are 
handled in the base model bundle now:

org.eclipse.chemclipse.model.core.AbstractChromatogram<T extends IPeak> ...
org.eclipse.chemclipse.model.core.IChromatogramPeaks<T>

A TreeSet is used to store the peaks sorted by retention time at peak 
maximum, see:

public interface IPeak extends IPeakTargets, Comparable<IPeak>
org.eclipse.chemclipse.model.core.AbstractPeak

    @Override
    public int compareTo(IPeak peak) {

        /*
         * This method is used to store the peaks in
         * AbstractChromatogram<T extends IPeak> in a sorted set.
         */
        return 
Integer.compare(getPeakModel().getRetentionTimeAtPeakMaximum(), 
peak.getPeakModel().getRetentionTimeAtPeakMaximum());
    }

That allows us to handle the chromatogram peak more efficiently. I've 
refactored the code, so that it works without changing the code. Please 
report if you encounter strange behaviour.


Best,
Philip

--
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OpenChrom - the open source alternative for chromatography / mass spectrometry
Dr. Philip Wenig » Founder » philip.wenig@xxxxxxxxxxxxx » http://www.openchrom.net
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