Examples of org.bmdrc.nmr.Nmr1dUnitList.addPeak()

org.bmdrc.nmr.Nmr1dUnitList.addPeak()


        theFileReader.readLine();
        theFileReader.readLine();


        while ((theFileInformationByLine = theFileReader.readLine()) != null) {
            thePeakList.addPeak(this.__getPeakInACDFormat(theFileInformationByLine));
        }


        return thePeakList;
    }

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        String[] theSplitedPeakInformation = thePeakInformation.split(this.CRITERION_DIVIDED_PEAK_INFORMATION);


        theSplitedPeakInformation[this.ANNOTATED_ATOM_NUMBER_INDEX] =
                this.__getCorrectAnnotatedAtomNumber(theMolecule, theSplitedPeakInformation[this.ANNOTATED_ATOM_NUMBER_INDEX], theJugmentOfCarbonPeak);


        thePeakList.addPeak(this.__generatePeakInformation(theSplitedPeakInformation, theExperimentEnvironmentList));


        return thePeakList;
    }


    private String __getCorrectAnnotatedAtomNumber(IMolecule theMolecule, String theAnnotatedAtomNumber, boolean theJugmentOfCarbonPeak) {

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                thePeak.setSolvent(theSolventList.get(theSolventIndexList.indexOf(theSpectrumNumber)));
            } catch (ArrayIndexOutOfBoundsException e) {
                e.printStackTrace();
                System.err.println(theKey + " " + theSpectrumNumber + " " + theMolecule.getProperty(this.KEY_VALUE_OF_NMRSHIFTDB2_ID).toString());
            }
            thePeakList.addPeak(thePeak);
        }


        return thePeakList;
    }

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        for (int di = 0, dEnd = this.getPeakDistributionList().size(); di < dEnd; di++) {
            if (this.getPeakDistributionList().get(di) <= theTolerence && this.getPeakDistributionList().get(di) != 0) {
                Nmr1dUnit theChemicalShiftRange = this.__setChemicalShiftRange(di);


                theChemicalShiftRangeList.addPeak(theChemicalShiftRange);
            }
        }


        return theChemicalShiftRangeList;
    }

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                thePeak.setSolvent(theSolventList.get(theSolventIndexList.indexOf(theSpectrumNumber)));
            } catch (ArrayIndexOutOfBoundsException e) {
                e.printStackTrace();
                System.err.println(theKey + " " + theSpectrumNumber + " " + theMolecule.getProperty(this.KEY_VALUE_OF_NMRSHIFTDB2_ID).toString());
            }
            thePeakList.addPeak(thePeak);
        }


        return thePeakList;
    }

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