Package org.bmdrc.nmr

Examples of org.bmdrc.nmr.Nmr2dCHUnitList.addPeak()


        theFileInformationList.remove(this.FIRST_INDEX);

        for (String theFileString : theFileInformationList) {
            if (!theFileString.isEmpty()) {
                if (theTypeOfInputFileFormat == this.SPARKY_FILE_FORMAT) {
                    thePeakData.addPeak(this.__getPeakDataInSparkFormat(theFileString));
                } else if (theTypeOfInputFileFormat == this.ACD_FILE_FORMAT) {
                    try {
                        thePeakData.addPeak(this.__readACDLabFileFormat(theFileString));
                    } catch (NumberFormatException e) {
                        this.setFrame().setLogTextArea().append(thePeakDataFilePath + " " + theLine++ + "th Line is Error!!\n");
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            if (!theFileString.isEmpty()) {
                if (theTypeOfInputFileFormat == this.SPARKY_FILE_FORMAT) {
                    thePeakData.addPeak(this.__getPeakDataInSparkFormat(theFileString));
                } else if (theTypeOfInputFileFormat == this.ACD_FILE_FORMAT) {
                    try {
                        thePeakData.addPeak(this.__readACDLabFileFormat(theFileString));
                    } catch (NumberFormatException e) {
                        this.setFrame().setLogTextArea().append(thePeakDataFilePath + " " + theLine++ + "th Line is Error!!\n");
                    }
                }
            }
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        if (this.__containRange(theStartPeak, theClassStandardPeak) && this.__containHydrogenRange(theStartPeak, (Nmr1dUnit) the1HPeak)) {
            int theIndexOfStartPeak = this.__getIndexOfSamePeakIn2D(theCopiedPeakData, theStartPeak);

            theCopiedPeakData.remove(theIndexOfStartPeak);
            thePeakList.addPeak(theStartPeak);

            this.__getClusterPeakList(theCopiedPeakData, thePeakList);
        }

        return thePeakList;
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        Nmr2dCHUnitList thePeakSetInSameGroup = new Nmr2dCHUnitList();
        int theIndexOfStartPeak = this.__indexOfSamePeak(theCopiedPeak, theFirstPeakInGroup);
        boolean theJugmentContainingClusterMemberPeak = false;

        theCopiedPeak.remove(theIndexOfStartPeak);
        thePeakSetInSameGroup.addPeak(theFirstPeakInGroup);

        while (!theJugmentContainingClusterMemberPeak) {
            theJugmentContainingClusterMemberPeak = true;

            for (int pi = theCopiedPeak.size() - 1; pi >= 0; pi--) {
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        while (!theJugmentContainingClusterMemberPeak) {
            theJugmentContainingClusterMemberPeak = true;

            for (int pi = theCopiedPeak.size() - 1; pi >= 0; pi--) {
                if (this.__isClusterMember(thePeakSetInSameGroup, theCopiedPeak.get(pi))) {
                    thePeakSetInSameGroup.addPeak(theCopiedPeak.get(pi));
                    theCopiedPeak.remove(pi);
                    theJugmentContainingClusterMemberPeak = false;
                }
            }
        }
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        Nmr2dCHUnitList theCriterionPeakList = new Nmr2dCHUnitList();

        for (int qi = 0, qEnd = this.getHMQC().getMedianPeak().size(); qi < qEnd; qi++) {
            Nmr2dCHUnit theClosestPeak = this.__getClosestPeak(this.getMergedHmbcAndHmqc(), this.getHMQC().getMedianPeak().get(qi));

            theCriterionPeakList.addPeak(theClosestPeak);
        }

        return theCriterionPeakList;
    }
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