public pLink_Result()
{
this.psms = new ObservableCollection <pLink.PSM>();
spectra = new ObservableCollection <Spectra>();
title_index = new Hashtable();
Link_Names = new List <string>();
Link_masses = new List <double>();
pLink_label = new pLink_Label();
}
public static void load_label_information(string file_path, pLink_Label pll)
{
StreamReader sr = new StreamReader(file_path);
while (!sr.EndOfStream)
{
string line = sr.ReadLine();
if (line.Trim() == "")
{
continue;
}
if (line.StartsWith("LL_INFO_LABEL"))
{
string[] strs = line.Split(new char[] { '=', ';' })[1].Split(new char[] { '|' }, StringSplitOptions.RemoveEmptyEntries);
string label_name = strs.Last();
pll.Flag = 2; //无标记
if (label_name.StartsWith("R:-")) //表示交联剂的标记
{
pll.Flag = 0;
}
else if (label_name.StartsWith("R:*")) //表示肽段的标记
{
pll.Flag = 1;
}
string[] strs2 = label_name.Split(new char[] { ',', '{', '}' }, StringSplitOptions.RemoveEmptyEntries);
for (int start = 1; start < strs2.Length; start += 3)
{
string element_name1 = strs2[1];
string element_name2 = strs2[2];
double mass = (double)Config_Help.element_hash[element_name1] - (double)Config_Help.element_hash[element_name2];
pll.Element_names.Add(element_name1);
pll.Masses.Add(mass);
}
}
}
sr.Close();
}
public List <double> get_masses(pLink_Label pll)
{
List <double> masses = new List <double>();
masses.Add(0.0);
masses.Add(0.0);
if (pll.Flag == 1) //肽段标记
{
get_masses_peptide(masses, this.Pep1);
get_masses_peptide(masses, this.Pep2);
masses[0] = (masses[0] + Xlink_mass + this.Spec.Charge * Config_Help.massZI) / this.Spec.Charge;
masses[1] = (masses[1] + Xlink_mass + this.Spec.Charge * Config_Help.massZI) / this.Spec.Charge;
}
else if (pll.Flag == 0) //交联剂标记
{
get_masses_peptide(masses, this.Pep1);
get_masses_peptide(masses, this.Pep2);
masses[1] = masses[0];
get_masses(masses, pll.Linker_Masses);
masses[0] = (masses[0] + this.Spec.Charge * Config_Help.massZI) / this.Spec.Charge;
masses[1] = (masses[1] + this.Spec.Charge * Config_Help.massZI) / this.Spec.Charge;
}
return(masses);
}
