Examples of HydrogenQuery

        for (int i = this.__getStartPeakListInHMBC().size() - 1; i >= 0; i--) {
            if (this.__isSameHydrogenPeak(theSortedByHydrogenPeak, i)) {
                this.__getStartPeakListInHMBC().remove(i);
            } else {
                List<Integer> theArrayMatchedSameHydrogenChemicalShift = new ArrayList<>();
                HydrogenQuery theHydrogenTypeArray = this.__makeHydrogenQuery(theSortedByHydrogenPeak, theSortedByCarbonPeak, theIndexArrayOfSorted3DArray,
                        theNumberArrayOfBoundHydrogen, this.__getStartPeakListInHMBC().get(i));


                theHydrogenTypeMatrixIn2DNMR.add(theHydrogenTypeArray);
            }
        }

    }


    private HydrogenQuery __makeHydrogenQuery(List<Nmr2dCHUnitList> theSortedByHydrogenPeak, List<Nmr2dCHUnitList> theSortedByCarbonPeak, List<Integer> theIndexArrayOfSorted3DArray,
            List<Integer> theNumberArrayOfBoundHydrogen, Nmr2dCHUnit theStartPeakInHMBC) {
        List<Integer> theArrayMatchedSameHydrogenChemicalShift = new ArrayList<>();
        HydrogenQuery theHydrogenQuery = new HydrogenQuery();
        int theIndexOfSortedByHydrogenPeak = this.__getIndexOfSamePeak(theSortedByHydrogenPeak, theStartPeakInHMBC);


        for (int j = 0; j < theSortedByHydrogenPeak.get(theIndexOfSortedByHydrogenPeak).size(); j++) {
            int theIndexOfSortedByCarbonPeak = this.__getIndexOfSamePeak(theSortedByCarbonPeak, theSortedByHydrogenPeak.get(theIndexOfSortedByHydrogenPeak).get(j));


            theArrayMatchedSameHydrogenChemicalShift.add(theIndexOfSortedByCarbonPeak);


            if (!theIndexArrayOfSorted3DArray.contains(theIndexOfSortedByCarbonPeak)) {
                theHydrogenQuery.setNumberOfRHGroup(theHydrogenQuery.getNumberOfRHGroup() + 1);
            } else {
                int theIndexOfArray = theIndexArrayOfSorted3DArray.indexOf(theIndexOfSortedByCarbonPeak);
                int theIndex = theNumberArrayOfBoundHydrogen.get(theIndexOfArray) - 1;


                theHydrogenQuery.set(theIndex, theHydrogenQuery.get(theIndex) + 1);
            }
        }


        this.setIndexArrayOfMatchedCarbonPeakInNotHetero().add(theArrayMatchedSameHydrogenChemicalShift);

Examples of HydrogenQuery

Examples of org.bmdrc.nmr.tool.HydrogenQuery

Examples of org.bmdrc.nmr.tool.HydrogenQuery