public MassDistribution GetMassDistribution(Molecule molecule, int charge)
{
var md = new MassDistribution(MassResolution, .00001);
var result = md;
foreach (var element in molecule)
{
result = result.Add(md.Add(IsotopeAbundances[element.Key]).Multiply(element.Value));
}
if (charge != 0)
{
result = result.OffsetAndDivide(charge * ProtonMass, charge);
}
return(result);
}
/// <summary>
/// Returns the result of adding this MassDistribution to itself the specified number of times.
/// </summary>
public MassDistribution Multiply(int factor)
{
if (factor == 0)
{
return(new MassDistribution(MassResolution, MinimumAbundance));
}
if (factor == 1)
{
return(this);
}
MassDistribution result = Add(this);
if (factor >= 4)
{
result = result.Multiply(factor / 2);
}
if (factor % 2 != 0)
{
result = result.Add(this);
}
return(result);
}
