private static void validateMass(ISpectrumPeak pSp, double pPeak, Set<Integer> goodMasses) { final double mass = pSp.getMassChargeRatio(); final int imass = asInt(mass); if (!goodMasses.contains(imass)) { // try one off if (goodMasses.contains(imass - 1)) { goodMasses.remove(imass - 1); return; } if (goodMasses.contains(imass + 1)) { goodMasses.remove(imass + 1); return; } } if (!goodMasses.contains(imass)) System.out.println("Missing mass " + imass); goodMasses.remove(imass); }
private static void validatePeak2(ISpectrumPeak pSp, double pPeak, double pPeak1) { Set<Integer> goodMasses = buildMassSet(); final double chargeRatio = pSp.getMassChargeRatio(); validateAsInts(chargeRatio, pPeak); double peak = pSp.getPeak(); Assert.assertEquals(pPeak1, peak, ALLOWED_INTENSITY_ERROR); }