private int GetNumNotches(MassDiffAcceptorType massDiffAcceptorType, string customMdac)
{
switch (massDiffAcceptorType)
{
case MassDiffAcceptorType.Exact: return(1);
case MassDiffAcceptorType.OneMM: return(2);
case MassDiffAcceptorType.TwoMM: return(3);
case MassDiffAcceptorType.ThreeMM: return(4);
case MassDiffAcceptorType.ModOpen: return(1);
case MassDiffAcceptorType.Open: return(1);
case MassDiffAcceptorType.Custom: return(ParseSearchMode(customMdac).NumNotches);
default: throw new MetaMorpheusException("Unknown mass difference acceptor type");
}
}
public static MassDiffAcceptor GetMassDiffAcceptor(Tolerance precursorMassTolerance, MassDiffAcceptorType massDiffAcceptorType, string customMdac)
{
switch (massDiffAcceptorType)
{
case MassDiffAcceptorType.Exact:
if (precursorMassTolerance is PpmTolerance)
{
return(new SinglePpmAroundZeroSearchMode(precursorMassTolerance.Value));
}
else
{
return(new SingleAbsoluteAroundZeroSearchMode(precursorMassTolerance.Value));
}
case MassDiffAcceptorType.OneMM:
return(new DotMassDiffAcceptor("1mm", new List <double> {
0, 1.0029
}, precursorMassTolerance));
case MassDiffAcceptorType.TwoMM:
return(new DotMassDiffAcceptor("2mm", new List <double> {
0, 1.0029, 2.0052
}, precursorMassTolerance));
case MassDiffAcceptorType.ThreeMM:
return(new DotMassDiffAcceptor("3mm", new List <double> {
0, 1.0029, 2.0052, 3.0077
}, precursorMassTolerance));
case MassDiffAcceptorType.ModOpen:
return(new IntervalMassDiffAcceptor("-187andUp", new List <DoubleRange> {
new DoubleRange(-187, double.PositiveInfinity)
}));
case MassDiffAcceptorType.Open:
return(new OpenSearchMode());
case MassDiffAcceptorType.Custom:
return(ParseSearchMode(customMdac));
case MassDiffAcceptorType.PlusOrMinusThreeMM:
return(new DotMassDiffAcceptor(
"PlusOrMinus3Da",
new List <double>
{
-3 * Chemistry.Constants.C13MinusC12,
-2 * Chemistry.Constants.C13MinusC12,
-1 * Chemistry.Constants.C13MinusC12,
0,
1 * Chemistry.Constants.C13MinusC12,
2 * Chemistry.Constants.C13MinusC12,
3 * Chemistry.Constants.C13MinusC12
},
precursorMassTolerance));
default:
throw new MetaMorpheusException("Unknown MassDiffAcceptorType");
}
}
