private ParameterModel SaveControlToModel()
{
ParameterModel model = new ParameterModel();
model.GetType().GetProperty("MS_PAT").SetValue(model, 0.5, null);
model.GetType().GetProperty("MS_IPMD").SetValue(model, 10.0, null);
model.GetType().GetProperty("MS_IPACO").SetValue(model, 5, null);
model.GetType().GetProperty("MS_IPMDO").SetValue(model, 20, null);
model.GetType().GetProperty("MS_IPMDOM").SetValue(model, 30.0, null);
model.GetType().GetProperty("MS_IPAD").SetValue(model, 50, null);
model.GetType().GetProperty("MS_IPADO").SetValue(model, 20, null);
model.GetType().GetProperty("MS_IPADOM").SetValue(model, 100, null);
model.GetType().GetProperty("MS_WINDOW").SetValue(model, 10, null);
model.GetType().GetProperty("MS2_FAT").SetValue(model, 0.5, null);
model.GetType().GetProperty("MS2_IPMD").SetValue(model, 10.0, null);
model.GetType().GetProperty("MS2_IPACO").SetValue(model, 5, null);
model.GetType().GetProperty("MS2_IPMDO").SetValue(model, 20, null);
model.GetType().GetProperty("MS2_IPMDOM").SetValue(model, 30.0, null);
model.GetType().GetProperty("MS2_IPAD").SetValue(model, 50, null);
model.GetType().GetProperty("MS2_IPADO").SetValue(model, 20, null);
model.GetType().GetProperty("MS2_IPADOM").SetValue(model, 100, null);
model.GetType().GetProperty("MS2_PMFS").SetValue(model, 5.0, null);
model.GetType().GetProperty("MS2_PTMS").SetValue(model, 1, null);
model.MS2_SA = 1;
return(model);
}
private void OutputFile(List <MatchedData> lstMatchedData)
{
FileProcess filePro = new FileProcess();
//Parameter Output
string sParameterFileName = System.IO.Path.Combine(new string[] { FolderName, "output" + ".bin" });
ParameterModel model = SaveControlToModel();
filePro.Serializer <ParameterModel>(model, sParameterFileName);
if (lstMatchedData.Count == 0)
{
return;
}
//Excel Output
string sXlsName = System.IO.Path.Combine(new string[] { FolderName, "output" + ".xls" });
filePro.ExcelOut(lstMatchedData, sXlsName);
}
private List <MatchedData> GetMatchedData(XmlReader xmlReader)
{
List <MassPoint> lstMassPoint = new List <MassPoint>();
List <MatchedData> lstMatchedData = new List <MatchedData>();
List <MatchedData> lstTemp = null;
MassScan scanMS = new MassScan();
PeptideModResBLL peModResBLL = new PeptideModResBLL(DBName);
ParameterModel model = this.SaveControlToModel();
peModResBLL.ParameterModel = model;
bool bSingle = false;
int iScanCount = 0;
int currentCnt = 0;
int allCnt = (int)99998;
int avgCnt = 0;
int surplusCnt = 0;
if (allCnt >= 90)
{
avgCnt = allCnt / 90;
}
else
{
avgCnt = (int)Math.Round(90.0 / allCnt, MidpointRounding.AwayFromZero);
surplusCnt = (int)Math.Round((avgCnt - 90.0 / allCnt) * allCnt);
}
while (xmlReader.Read())
{
if (xmlReader.Name == "sha1")
{
break;
}
if (xmlReader.NodeType != XmlNodeType.Element)
{
continue;
}
if (xmlReader.Name == "msRun")
{
xmlReader.MoveToAttribute("scanCount");
iScanCount = int.Parse(xmlReader.Value);
if (allCnt > iScanCount)
{
allCnt = iScanCount;
if (allCnt >= 90)
{
avgCnt = allCnt / 90;
}
else
{
avgCnt = (int)Math.Round(90.0 / allCnt, MidpointRounding.AwayFromZero);
surplusCnt = (int)Math.Round((avgCnt - 90.0 / allCnt) * allCnt);
}
}
if (iScanCount == 1)
{
bSingle = true;
}
}
if (xmlReader.Name == "scan")
{
if (!xmlReader.HasAttributes)
{
continue;
}
//判断 是MS 还是MS2
xmlReader.MoveToAttribute("msLevel");
if ("1".Equals(xmlReader.Value))
{
xmlReader.MoveToAttribute("num");
scanMS.Index = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("msLevel");
scanMS.MsLevel = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("peaksCount");
scanMS.PeaksCount = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("polarity");
scanMS.Polarity = xmlReader.Value == "+" ? true : false;
xmlReader.MoveToAttribute("basePeakIntensity");
scanMS.BasePeakIntensity = double.Parse(xmlReader.Value);
while (xmlReader.Read())
{
if (xmlReader.Name == "peaks")
{
scanMS.IsPeaks = true;
scanMS.Peaks = xmlReader.ReadInnerXml();
lstMassPoint = Base64Convert.CalcMz(scanMS.Peaks, scanMS.PeaksCount);
break;
}
}
}
else if ("2".Equals(xmlReader.Value))
{
//读取属性
MassScan scanMS2 = new MassScan();
xmlReader.MoveToAttribute("num");
scanMS2.Index = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("msLevel");
scanMS2.MsLevel = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("peaksCount");
scanMS2.PeaksCount = UInt32.Parse(xmlReader.Value);
xmlReader.MoveToAttribute("polarity");
scanMS2.Polarity = xmlReader.Value == "+" ? true : false;
xmlReader.MoveToAttribute("basePeakIntensity");
scanMS2.BasePeakIntensity = double.Parse(xmlReader.Value);
while (xmlReader.Read())
{
if (xmlReader.NodeType != XmlNodeType.Element)
{
continue;
}
if (xmlReader.Name == "precursorMz")
{
xmlReader.MoveToAttribute("activationMethod");
scanMS2.ScanType = xmlReader.Value;
xmlReader.MoveToElement();
scanMS2.PrecursorMz = float.Parse(xmlReader.ReadInnerXml());
}
if (xmlReader.Name == "peaks")
{
scanMS2.Peaks = xmlReader.ReadInnerXml();
break;
}
}
if (bSingle == true)
{
if (scanMS2 == null)
{
return(null);
}
lstTemp = peModResBLL.getMSMatchs(scanMS2);
if (lstTemp != null && lstTemp.Count != 0)
{
lstMatchedData.AddRange(lstTemp);
}
return(lstMatchedData);
}
if (scanMS.IsPeaks == true)
{
if (scanMS2.Index >= 1 && scanMS2.Index <= 99999)
{
lstTemp = peModResBLL.getMSMatchs(scanMS, scanMS2);
if (lstTemp != null && lstTemp.Count != 0)
{
lstMatchedData.AddRange(lstTemp);
}
if (allCnt <= 0)
{
}
else if (allCnt >= 90)
{
currentCnt++;
}
else
{
currentCnt++;
}
}
}
}
else
{
continue;
}
}
}
return(lstMatchedData);
}
