private void GenerateNormalizedPeptideWeights()
{
NormalizedPeptideWeights.Clear();
NormalizedWildtypeWeights.Clear();
NormalizedMatrixMin = double.MaxValue;
NormalizedMatrixMax = double.MinValue;
for (int iRow = 0; iRow < RowCount; iRow++)
{
for (int iCol = 0; iCol < ColCount; iCol++)
{
int pos = PermutationXAxis ? iRow : iCol;
double normby = NormMode == NormalizationMode.Mean ? NormalizationValue :
NormBy == null ? 1 : NormBy[pos];
if (normby != 0)
{
NormalizedMatrix[iRow, iCol] = QuantificationMatrix[iRow, iCol] / normby;
}
if (NormalizedMatrix[iRow, iCol] < NormalizedMatrixMin)
{
NormalizedMatrixMin = NormalizedMatrix[iRow, iCol];
}
if (NormalizedMatrix[iRow, iCol] > NormalizedMatrixMax)
{
NormalizedMatrixMax = NormalizedMatrix[iRow, iCol];
}
AddNormalizedPeptideWeight(PeptideMatrix[iRow, iCol], pos, NormalizedMatrix[iRow, iCol]);
}
}
}
private void AddNormalizedPeptideWeight(string peptide, double weight)
{
if (string.IsNullOrEmpty(peptide))
{
return;
}
if (NormalizedPeptideWeights.ContainsKey(peptide))
{
return;
}
NormalizedPeptideWeights.Add(peptide, weight);
}
private void AddNormalizedPeptideWeight(string peptide, int pos, double weight)
{
if (string.IsNullOrEmpty(peptide))
{
return;
}
if (peptide == WildTypePeptide)
{
NormalizedWildtypeWeights.Add(pos, weight);
return;
}
if (!NormalizedPeptideWeights.ContainsKey(peptide))
{
NormalizedPeptideWeights.Add(peptide, weight);
}
}
private void GenerateNormalizedPeptideWeights()
{
NormalizedPeptideWeights.Clear();
NormalizedMatrixMin = double.MaxValue;
NormalizedMatrixMax = double.MinValue;
for (int iRow = 0; iRow < RowCount; iRow++)
{
for (int iCol = 0; iCol < ColCount; iCol++)
{
int pos = PermutationXAxis ? iRow : iCol;
double normby = NormMode == NormalizationMode.Max ? NormalizationValue :
NormBy == null ? 1 : NormBy[pos];
if (normby != 0)
{
NormalizedMatrix[iRow, iCol] = QuantificationMatrix[iRow, iCol] / normby;
}
if (NormalizedMatrix[iRow, iCol] < NormalizedMatrixMin)
{
NormalizedMatrixMin = NormalizedMatrix[iRow, iCol];
}
if (NormalizedMatrix[iRow, iCol] > NormalizedMatrixMax)
{
NormalizedMatrixMax = NormalizedMatrix[iRow, iCol];
}
double weight = NormalizedMatrix[iRow, iCol];
if (PermutationXAxis)
{
if (this.PositionYAxisTopToBottom)
{
AddNormalizedPeptideWeight(weight, iRow, Permutation[iCol]);
}
else //if Position Matrix is read from bottom to top, rowind should be reversed
{
AddNormalizedPeptideWeight(weight, RowCount - iRow - 1, Permutation[iCol]);
}
}
else
{
AddNormalizedPeptideWeight(weight, iCol, Permutation[iRow]);
}
}
}
}
public void Normalize(double normBy)
{
NormalizedPeptideWeights.Clear();
if (normBy == 0)
{
return;
}
NormalizationValue = normBy;
for (int i = 0; i < RowCount; i++)
{
for (int j = 0; j < ColCount; j++)
{
NormalizedMatrix[i, j] = QuantificationMatrix[i, j] / normBy;
AddNormalizedPeptideWeight(PeptideMatrix[i, j], NormalizedMatrix[i, j]);
}
}
GenerateModifiedPeptideList();
}
private void AddNormalizedPeptideWeight(double weight, int pos, char replaceBy)
{
if (string.IsNullOrEmpty(WildTypePeptide))
{
return;
}
string s = "", e = "";
if (pos > 0)
{
s = WildTypePeptide.Substring(0, pos);
}
if (pos < WildTypePeptide.Length - 1)
{
e = WildTypePeptide.Substring(pos + 1);
}
string peptide = s + replaceBy + e;
if (/*peptide == WildTypePeptide && */ NormalizedPeptideWeights.ContainsKey(peptide))
{
return;
}
NormalizedPeptideWeights.Add(peptide, weight);
}
/// <summary>
/// Dictionary of weight for each char at every position
/// </summary>
/// <param name="PA"></param>
/// <returns></returns>
public Dictionary <int, Dictionary <char, double> > GenerateWeights()
{
try
{
int motifsize = PermutationXAxis ? RowCount : ColCount;
WildTypePeptide = new string('X', motifsize);
NormalizedPeptideWeights.Clear();
Dictionary <int, Dictionary <char, double> > weights;
Dictionary <int, double> totalWeightsPerPos;
weights = new Dictionary <int, Dictionary <char, double> >();
totalWeightsPerPos = new Dictionary <int, double>();
for (int i = 0; i < motifsize; i++)
{
totalWeightsPerPos.Add(i, 0);
weights.Add(i, new Dictionary <char, double>());
}
for (int rowind = 0; rowind < RowCount; rowind++)
{
for (int colind = 0; colind < ColCount; colind++)
{
double weight = NormalizedMatrix[rowind, colind];
if (PermutationXAxis)
{
if (this.PositionYAxisTopToBottom)
{
if (weight > PositiveThreshold)
{
weights[rowind].Add(Permutation[colind], weight);
totalWeightsPerPos[rowind] += weight;
}
AddNormalizedPeptideWeight(weight, rowind, Permutation[colind]);
}
else //if Position Matrix is read from bottom to top, rowind should be reversed
{
if (weight > PositiveThreshold)
{
weights[RowCount - rowind - 1].Add(Permutation[colind], weight);
totalWeightsPerPos[RowCount - rowind - 1] += weight;
}
AddNormalizedPeptideWeight(weight, RowCount - rowind - 1, Permutation[colind]);
}
}
else
{
if (weight > PositiveThreshold)
{
weights[colind].Add(Permutation[rowind], weight);
totalWeightsPerPos[colind] += weight;
}
AddNormalizedPeptideWeight(weight, colind, Permutation[rowind]);
}
}
}
for (int i = 0; i < motifsize; i++)
{
List <char> charlist = weights[i].Keys.ToList();
foreach (char c in charlist)
{
weights[i][c] /= totalWeightsPerPos[i];
}
}
return(weights);
}
catch
{
return(null);
}
}