public void LoadMSMatches(List<QPeptide> Peptides)
{
iLog.Log("Loading Peak Shapes");
iLog.RepProgress(0);
for ( int f = 0 ; f < Peptides[0].Matches.GetLength(0) ; f++){
int FileNumber = FileNumbers[f];
SQLiteCommand Select = new SQLiteCommand(
"Select FileNumber, MascotScan, Charge, Score, MZ, RT, FirstIsotope, SecondIsotope, TimeCoeff "+
String.Format("From MSMatches Where FileNumber = {0} ",FileNumber)+
"Order by MascotScan,RT ",con);
SQLiteDataReader Reader = Select.ExecuteReader();
MSMatch[] Charges = new MSMatch[12];
bool flag = true;
Reader.Read();
iLog.RepProgress(f*100/Peptides[0].Matches.GetLength(0));
for ( int i = 0 ; i < Peptides.Count ; i++){
while(Reader.GetInt32(1)<Peptides[i].MascotScan) {
flag = Reader.Read();
if (!flag) break;
}
if (!flag) break;
while(Reader.GetInt32(1)==Peptides[i].MascotScan){
for ( int j = 0 ; j<12 ; j++) Charges[j] = null;
FileNumber = Reader.GetInt32(0);
double RT = Reader.GetDouble(5);
while(Reader.GetInt32(0) == FileNumber &&
Reader.GetInt32(1) == Peptides[i].MascotScan &&
RT == Reader.GetDouble(5) ){
int Charge= Reader.GetInt32(2);
Charges[Charge] = new MSMatch();
Charges[Charge].Score = Reader.GetDouble(3);
Charges[Charge].MZ = Reader.GetDouble(4);
Charges[Charge].RT = Reader.GetDouble(5);
Charges[Charge].FirstIsotope = Reader.GetDouble(6);
Charges[Charge].SecondIsotope = Reader.GetDouble(7);
Charges[Charge].TimeCoeff = Reader.GetDouble(8);
flag = Reader.Read();
if (!flag) break;
}
if (Charges[Peptides[i].Charge-1] != null )
Charges[Peptides[i].Charge].LowerCharges = Charges[Peptides[i].Charge-1];
if (Charges[Peptides[i].Charge+1] != null )
Charges[Peptides[i].Charge].LowerCharges = Charges[Peptides[i].Charge+1];
Peptides[i].Matches[f].MSMatches.Add(Charges[Peptides[i].Charge]);
if (!flag) break;
}
if (!flag) break;
}
}
}
public void LoadMSMatches(List<QPeptide> Peptides)
{
iLog.Log("Loading Peak Shapes");
iLog.RepProgress(0);
int FileNumber;
int BandID = -1;
int SampleID = 0;
if (Bands < 0 ){
FileNumber = FileNumbers.Count;
}else{
FileNumber = BandList.GetLength(0) * BandList.GetLength(1);
}
for ( int f = 0 ; f < FileNumber ; f++){
int FileID;
if (Bands < 0 ){
FileID = FileNumbers[f];
SampleID = f;
}else{
FileID = f;
BandID = f / SampleNumber ;
SampleID = f % SampleNumber;
}
SQLiteCommand Select = new SQLiteCommand(
"Select FileNumber, MascotScan, Charge, Score, MZ, RT, FirstIsotope, SecondIsotope, TimeCoeff "+
String.Format("From MSMatches Where FileNumber = {0} ",FileID)+
"Order by MascotScan,RT ",con);
SQLiteDataReader Reader = Select.ExecuteReader();
MSMatch[] Charges = new MSMatch[12];
bool flag = true;
Reader.Read();
if (!Reader.HasRows) break;
iLog.RepProgress(f,FileNumber);
for ( int i = 0 ; i < Peptides.Count ; i++){
while(Peptides[i].BandID != BandID){
i++;
flag = (i < Peptides.Count);
if (!flag) break;
}
if (!flag) break;
while(Reader.GetInt32(1)<Peptides[i].MascotScan) {
flag = Reader.Read();
if (!flag) break;
}
if (!flag) break;
while(Reader.GetInt32(1)==Peptides[i].MascotScan){
for ( int j = 0 ; j<12 ; j++) Charges[j] = null;
//FileNumber = Reader.GetInt32(0);
double RT = Reader.GetDouble(5);
while(//Reader.GetInt32(0) == FileNumber &&
Reader.GetInt32(1) == Peptides[i].MascotScan &&
RT == Reader.GetDouble(5) ){
int Charge= Reader.GetInt32(2);
Charges[Charge] = new MSMatch();
Charges[Charge].Score = Reader.GetDouble(3);
Charges[Charge].MZ = Reader.GetDouble(4);
Charges[Charge].RT = Reader.GetDouble(5);
Charges[Charge].FirstIsotope = Reader.GetDouble(6);
Charges[Charge].SecondIsotope = Reader.GetDouble(7);
Charges[Charge].TimeCoeff = Reader.GetDouble(8);
flag = Reader.Read();
if (!flag) break;
}
if (Charges[Peptides[i].Charge-1] != null )
Charges[Peptides[i].Charge].LowerCharges = Charges[Peptides[i].Charge-1];
if (Charges[Peptides[i].Charge+1] != null )
//порпавить в версии 2.6 - должно быть:
Charges[Peptides[i].Charge].UpperCharges= Charges[Peptides[i].Charge+1];
//Charges[Peptides[i].Charge].LowerCharges = Charges[Peptides[i].Charge+1];
Peptides[i].Matches[SampleID].MSMatches.Add(Charges[Peptides[i].Charge]);
if (!flag) break;
}
if (!flag) break;
}
}
}