public static double[][] GetIsotopeDistribution(int n, double[] masses, double[] composition)
{
int len = masses.Length;
int[][] partitions = NumUtil.GetPartitions(n, len);
double[] ms = new double[partitions.Length];
double[] weights = new double[partitions.Length];
for (int i = 0; i < partitions.Length; i++)
{
weights[i] = 1;
int[] partition = partitions[i];
for (int j = 0; j < len; j++)
{
ms[i] += partition[j] * masses[j];
for (int k = 0; k < partition[j]; k++)
{
weights[i] *= composition[j];
}
}
weights[i] *= NumUtil.Multinomial(n, partition);
}
int[] o = ArrayUtil.Order(ms);
ms = ArrayUtil.SubArray(ms, o);
weights = ArrayUtil.SubArray(weights, o);
double[][] x = FilterWeights(ms, weights, null, 1e-6);
ms = x[0];
weights = x[1];
x = FilterMasses(ms, weights, null, 0.2);
ms = x[0];
weights = x[1];
return(new double[][] { ms, weights });
}
private static int[][] GetPartitions(int maxNum, int nLabels)
{
int[][] p = NumUtil.GetPartitions(maxNum, nLabels + 1);
for (int i = 0; i < p.Length; i++)
{
p[i] = ArrayUtil.SubArray(p[i], nLabels);
}
List <int[]> result = new List <int[]>();
for (int i = 0; i < p.Length; i++)
{
if (ArrayUtil.Sum(p[i]) > 0)
{
result.Add(p[i]);
}
}
return(result.ToArray());
}
