removed getIsotopes, not needed anymore
@@ -384,33 +384,6 @@ public class IsotopePeakScannerTask extends AbstractTask {
return diff;
}
- private IIsotope[] getIsotopes(String isotope)
- {
- message = "Getting isotope information for element " + element;
- Isotopes ifac;// = Isotopes.getInstance();
-
- IIsotope[] el;
- try {
- ifac = Isotopes.getInstance();
- el = ifac.getIsotopes(element);
- el = (IIsotope[]) Arrays.stream(el).filter(i -> i.getNaturalAbundance()>minAbundance).toArray(IIsotope[]::new);
- int size = el.length;
- System.out.println(size);
- for(IIsotope i : el)
- System.out.println("mass "+ i.getExactMass() + " abundance "+i.getNaturalAbundance());
-
- logger.info(size + " isotopes for " + element);
- for(IIsotope i : el)
- logger.info("mass: "+ i.getExactMass() + "\tabundance: "+i.getNaturalAbundance());
-
- return el;
-
- } catch (IOException e) {
- e.printStackTrace();
- return null;
- }
- }
-
/**
*
* @param pL
