public void SettingsChangeMassCalcProps()
{
SrmDocument docFasta = CreateMixedDoc();
SrmSettings settings = docFasta.Settings;
// Use average precursor masses
SrmDocument docFasta2 = docFasta.ChangeSettings(settings.ChangeTransitionPrediction(
p => p.ChangePrecursorMassType(MassType.Average)));
// Average masses should be heavier that monoisotipic, and transitions should be unchanged
CheckMasses(docFasta, docFasta2, (before, after) => Assert.IsTrue(before < after), Assert.AreEqual);
// Use average fragment masses
settings = docFasta2.Settings.ChangeTransitionInstrument(instrument => instrument.ChangeMaxMz(1501)); // Keep all the new heavy transitions
SrmDocument docFasta3 = docFasta2.ChangeSettings(settings.ChangeTransitionPrediction(
p => p.ChangeFragmentMassType(MassType.Average)));
// Precursor masses should not have changed, and transitions should be heavier
CheckMasses(docFasta2, docFasta3, Assert.AreEqual, (before, after) => Assert.IsTrue(before < after));
// Change both back to all monoisotopic
settings = docFasta3.Settings;
SrmDocument docFasta4 = docFasta3.ChangeSettings(settings.ChangeTransitionPrediction(
p => p.ChangePrecursorMassType(MassType.Monoisotopic).ChangeFragmentMassType(MassType.Monoisotopic)));
// This should return the masses to their original values
CheckMasses(docFasta, docFasta4, Assert.AreEqual, Assert.AreEqual);
// TODO: Static modifications
}