return theFunctionalGroupIndexListInMolecule;
}
private boolean __isShiftInRange(Nmr1dUnit thePeak, String theFunctionalGroup) {
Nmr1dUnit theCriterionPeak = this.getReferenceCorrelationTable().get(theFunctionalGroup);
try {
if (thePeak.getChemicalShift() >= theCriterionPeak.getMinOfRange() && thePeak.getChemicalShift() <= theCriterionPeak.getMaxOfRange()) {
return true;
}
} catch(NullPointerException e) {
e.printStackTrace();
System.err.println(theFunctionalGroup);