/// <summary>
/// Returns a column vector of the linear indices of the result.
/// <see cref="https://www.mathworks.com/help/matlab/ref/find.html?s_tid=srchtitle"/>
/// </summary>
/// <param name="vec"></param>
/// <returns></returns>
public static VectorC find(VectorC vec)
{
var noneZeroIndices = new List <double>();
for (var i = 0; i < vec.Vec.Count; ++i)
{
if (vec.Vec[i] != 0)
{
var index = i + 1;
noneZeroIndices.Add(index);
}
}
return(VectorC.Build.DenseOfArray(noneZeroIndices.ToArray()));
}
public void TestSort()
{
var x = new VectorM(3.2m, 1.3m, 9.0m, 7.6m, 2.6m);
x.Sort();
Assert.AreEqual<VectorM>(
new VectorM(1.3m, 2.6m, 3.2m, 7.6m, 9.0m),
x);
x.Sort(true);
Assert.AreEqual<VectorM>(
new VectorM(9.0m, 7.6m, 3.2m, 2.6m, 1.3m),
x);
var y = new VectorC(
new ComplexD(2, 3),
new ComplexD(-1, -4),
new ComplexD(6, 7),
new ComplexD(1, 2));
y.Sort();
Assert.AreEqual<VectorC>(
new VectorC(
new ComplexD(-1, -4),
new ComplexD(1, 2),
new ComplexD(2, 3),
new ComplexD(6, 7)),
y);
y.Sort(true);
Assert.AreEqual<VectorC>(
new VectorC(
new ComplexD(6, 7),
new ComplexD(2, 3),
new ComplexD(1, 2),
new ComplexD(-1, -4)),
y);
}
public void TestSum()
{
var x = new VectorM(3.2m, 1.3m, 9.0m, 7.6m, 2.6m);
var sumX = x.Sum();
Assert.AreEqual<decimal>(23.7m, sumX);
var y = new VectorC(
new ComplexD(2, 3),
new ComplexD(-1, -4),
new ComplexD(6, 7),
new ComplexD(1, 2));
//var sumY = y.Sum();
}
public static VectorC floor(VectorC vec) => vec.Vec.PointwiseFloor();
public static double min(VectorC vec) => vec.Vec.Min();
public static double max(VectorC vec) => vec.Vec.Max();
public static double norm(VectorC vec) => vec.Vec.Norm(2);
public static int length(VectorC vec) => vec.Vec.Count;
public static double sum(VectorC vec) => vec.Vec.Sum();
public static VectorC exp(VectorC vec) => vec.Vec.PointwiseExp();
public List<double> NonNegLeastSquares(double[,] matrix, List<double> values)
{
List<double> normalizedValues = this.NormalizeIntensities(values);
//to handle < 20 intensiites for isotopes
//otherwise vector-matrix length mismatch and crash
List<double> tempValues = new List<double>();
for (int i = 0; i < 20; i++)
{
if (i < normalizedValues.Count)
{
tempValues.Add(normalizedValues[i]);
}
else
{
tempValues.Add(0);
}
}
List<double> results = new List<double>();
double[,] tempMatrix = new double[tempValues.Count, 1];
//hardcoded to handle only 20 isotope intensities
for (int i = 0; i < 20; i++)
{
if (i < normalizedValues.Count)
{
tempMatrix[i, 0] = normalizedValues[i];
}
else
{
tempMatrix[i, 0] = 0;
}
}
MatrixC theoretical = new MatrixC(tempMatrix);
double[] experimental = new double[values.Count];
for (int i = 0; i < values.Count; i++)
{
experimental[i] = values[i];
}
VectorC v = new VectorC(experimental);
var result = solver.MatchLibraryMatrix(theoretical, v);
for (int i = 0; i < result.GetSize(); i++)
{
results.Add(result[i]);
}
//calcualte %of each component
double sum = 0;
for (int j = 0; j < result.GetSize(); j++)
{
sum += results[j];
}
for (int k = 0; k < result.GetSize(); k++)
{
results[k] = results[k] / sum;
}
return results;
}