Beispiel #1
0
        public void Load(XElement parentNode)
        {
            XElement xml = parentNode.Element("FalseDiscoveryRate");

            FilterByFdr     = Convert.ToBoolean(xml.Element("Filtered").Value);
            FdrLevel        = (FalseDiscoveryRateLevel)Enum.Parse(FalseDiscoveryRateLevel.Peptide.GetType(), xml.GetChildValue("Level", FalseDiscoveryRateLevel.Peptide.ToString()));
            MaxPeptideFdr   = MyConvert.ToDouble(xml.Element("MaxPeptideFdr").Value);
            FdrPeptideCount = Convert.ToInt32(xml.Element("FdrPeptideCount").Value);
            FdrType         = (FalseDiscoveryRateType)Enum.Parse(FalseDiscoveryRateType.Total.GetType(), xml.GetChildValue("Type", FalseDiscoveryRateType.Total.ToString()));
            FdrValue        = MyConvert.ToDouble(xml.Element("Value").Value);
            if (xml.Element("TargetDecoyConflictType") != null)
            {
                TargetDecoyConflictType = ResolveTargetDecoyConflictTypeFactory.Find(xml.Element("TargetDecoyConflictType").Value);
            }
            if (xml.Element("FilterOneHitWonder") != null)
            {
                FilterOneHitWonder = bool.Parse(xml.Element("FilterOneHitWonder").Value);
            }
            else
            {
                FilterOneHitWonder = false;
            }

            if (xml.Element("MinOneHitWonderPeptideCount") != null)
            {
                MinOneHitWonderPeptideCount = int.Parse(xml.Element("MinOneHitWonderPeptideCount").Value);
            }
            else
            {
                MinOneHitWonderPeptideCount = 2;
            }
            if (xml.Element("ByDecoySpectra") != null)
            {
                ByDecoySpectra = bool.Parse(xml.Element("ByDecoySpectra").Value);
            }
            else
            {
                ByDecoySpectra = false;
            }
            if (xml.Element("MinDecoyScan") != null)
            {
                MinDecoyScan = int.Parse(xml.Element("MinDecoyScan").Value);
            }
            else
            {
                MinDecoyScan = MascotGenericFormatShiftPrecursorProcessorOptions.DEFAULT_ShiftScan;
            }
            if (xml.Element("MinTargetDecoySpectraRatio") != null)
            {
                MinTargetDecoySpectraRatio = double.Parse(xml.Element("MinTargetDecoySpectraRatio").Value);
            }
            else
            {
                MinTargetDecoySpectraRatio = 2.0;
            }
        }
        public virtual void LoadFromFile(string fileName)
        {
            if (!File.Exists(fileName))
            {
                throw new FileNotFoundException("Parameter file not found", fileName);
            }

            XmlDocument doc = new XmlDocument();

            doc.Load(fileName);
            XmlNode docRoot = doc.DocumentElement;

            var xmlHelper = new XmlHelper(doc);

            this.ApplicationTitle = xmlHelper.GetChildValue(docRoot, "Version");
            this.SearchEngine     = xmlHelper.GetChildValue(docRoot, "SearchEngine");

            XmlNode fdrXml = xmlHelper.GetValidChild(docRoot, "FalseDiscoveryRate");

            if (null != fdrXml)
            {
                this.FilterByFdr   = bool.Parse(xmlHelper.GetChildValue(fdrXml, "Filtered"));
                this.FdrLevel      = (FalseDiscoveryRateLevel)Enum.Parse(FalseDiscoveryRateLevel.Peptide.GetType(), xmlHelper.GetChildValue(fdrXml, "Level"), true);
                this.FdrType       = (FalseDiscoveryRateType)Enum.Parse(FalseDiscoveryRateType.Target.GetType(), xmlHelper.GetChildValue(fdrXml, "Type"), true);
                this.FdrValue      = MyConvert.ToDouble(xmlHelper.GetChildValue(fdrXml, "Value"));
                this.MaxPeptideFdr = MyConvert.ToDouble(xmlHelper.GetChildValue(fdrXml, "MaxPeptideFdr", "0.01"));

                if (xmlHelper.HasChild(fdrXml, "FdrPeptideCount"))
                {
                    this.FdrPeptideCount = Convert.ToInt32(xmlHelper.GetChildValue(fdrXml, "FdrPeptideCount"));
                }

                this.FdrScoreType                 = xmlHelper.GetChildValue(fdrXml, "ScoreType");
                this.ClassifyByCharge             = bool.Parse(xmlHelper.GetChildValue(fdrXml, "ClassifyByCharge"));
                this.ClassifyByMissCleavage       = bool.Parse(xmlHelper.GetChildValue(fdrXml, "ClassifyByMissCleavage"));
                this.ClassifyByModification       = bool.Parse(xmlHelper.GetChildValue(fdrXml, "ClassifyByModification"));
                this.ClassifyByNumProteaseTermini = bool.Parse(xmlHelper.GetChildValue(fdrXml, "ClassifyByNumProteaseTermini", true.ToString()));
                this.ModifiedAminoacids           = xmlHelper.GetChildValue(fdrXml, "ModifiedAminoacid");

                this.ClassifyByProteinTag = bool.Parse(xmlHelper.GetChildValue(fdrXml, "ClassifyByProteinTag", false.ToString()));
                this.ProteinTag           = xmlHelper.GetChildValue(fdrXml, "ProteinTag", string.Empty);

                this.TargetDecoyConflictType = ResolveTargetDecoyConflictTypeFactory.Find(xmlHelper.GetChildValue(fdrXml, "TargetDecoyConflictType", ResolveTargetDecoyConflictTypeFactory.Decoy.Name));
            }

            XmlNode peptideFilterXml = xmlHelper.GetValidChild(docRoot, "PeptideFilter");

            if (null != peptideFilterXml)
            {
                LoadPeptideFilter(peptideFilterXml);
            }

            XmlNode databaseXml = xmlHelper.GetValidChild(docRoot, "Database");

            this.Database.Location            = xmlHelper.GetChildValue(databaseXml, "Location");
            this.Database.AccessNumberPattern = xmlHelper.GetChildValue(databaseXml, "AccessNumberPattern").Replace(">", ">");
            this.Database.DecoyPattern        = xmlHelper.GetChildValue(databaseXml, "DecoyPattern").Replace(">", ">");
            if (xmlHelper.HasChild(databaseXml, "ContaminationPattern"))
            {
                this.Database.ContaminationNamePattern = xmlHelper.GetChildValue(databaseXml, "ContaminationPattern").Replace(">", ">");
            }

            this.Database.RemovePeptideFromDecoyDB = bool.Parse(xmlHelper.GetChildValue(databaseXml, "RemovePeptideFromDecoyDB"));

            LoadSpecialDefinition(docRoot);

            XmlNode filesXml = xmlHelper.GetValidChild(docRoot, "PathNames");

            if (null == filesXml)
            {
                throw new ArgumentException(MyConvert.Format("There is no PathNames section in parameter file {0}", fileName));
            }

            this.pathNameBin.Clear();
            XmlNode pathNameXml = filesXml.FirstChild;

            while (null != pathNameXml)
            {
                string bin = pathNameXml.Attributes["Bin"].Value;
                this.pathNameBin[pathNameXml.InnerText] = bin;
                pathNameXml = pathNameXml.NextSibling;
            }
        }