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);
}