public void TestMSGFPlusResults() { const string workDir = @"F:\My Documents\Projects\JoshAldrich\AScore\AScore_DLL\TestCase"; var fht = Path.Combine(workDir, "CPTAC_CompREF_00_iTRAQ_NiNTA_01b_22Mar12_Lynx_12-02-29_msgfdb_fht.txt"); var param = Path.Combine(workDir, "AScore_CID_0.5Da_ETD_0.5Da_HCD_0.05Da_MSGF1E-12.xml"); var dta = Path.Combine(workDir, "CPTAC_CompREF_00_iTRAQ_NiNTA_01b_22Mar12_Lynx_12-02-29_dta.txt"); var resultsFile = Path.Combine(workDir, "CPTAC_CompREF_00_iTRAQ_NiNTA_01b_22Mar12_Lynx_12-02-29_msgfdb_fht_ascore.txt"); var peptideMassCalculator = GetDefaultPeptideMassCalculator(); PsmResultsManager dfht = new MsgfdbFHT(fht); var pfile = new ParameterFileManager(param); var spectraCache = new SpectraManagerCache(peptideMassCalculator); spectraCache.OpenFile(dta); var sw = System.Diagnostics.Stopwatch.StartNew(); var ascoreEngine = new AScore_DLL.AScoreProcessor(); ascoreEngine.RunAScoreOnSingleFile(spectraCache, dfht, pfile, resultsFile); sw.Stop(); Console.WriteLine("Time elapsed: {0:F1} seconds", sw.Elapsed.TotalSeconds); Console.WriteLine("Results in " + resultsFile); }
public void SisiConfirm() { var dtaname = new string[] { @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\09302010_MG1655_phospho_S_08_B_100930113735_dta.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10012010_MG1655_phospho_S_09_B_101001105913_dta.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10012010_MG1655_phospho_s06_101002094806_dta.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10012010_MG1655_phospho_s10_101001105913_dta.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10022010_MG1655_phospho_S11_rerun_101005165350_dta.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10022010_MG1655_phospho_s12_101002094806_dta.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10022010_MG1655_phospho_s7_101002094806_dta.txt" }; var datasetname = new string[] { @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\09302010_MG1655_phospho_S_08_B_100930113735_msgfdb_fht.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10012010_MG1655_phospho_S_09_B_101001105913_msgfdb_fht.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10012010_MG1655_phospho_s06_101002094806_msgfdb_fht.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10012010_MG1655_phospho_s10_101001105913_msgfdb_fht.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10022010_MG1655_phospho_S11_rerun_101005165350_msgfdb_fht.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10022010_MG1655_phospho_s12_101002094806_msgfdb_fht.txt", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\10022010_MG1655_phospho_s7_101002094806_msgfdb_fht.txt" }; var ascParam = new string[] { @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\HistPhos.xml", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\HistPhos.xml", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\HistPhos.xml", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\HistPhos.xml", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\HistPhos.xml", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\HistPhos.xml", @"C:\Users\aldr699\Documents\2012\Sisi_Work\PhosphohistidineConfirmation\HistPhos.xml" }; var peptideMassCalculator = GetDefaultPeptideMassCalculator(); for (var i = 0; i < dtaname.Length; i++) { var outFile = Path.Combine( Path.GetDirectoryName(datasetname[i]), Path.GetFileNameWithoutExtension(datasetname[i]) + "_AScore.txt"); PsmResultsManager datasetMan = new MsgfdbFHT(datasetname[i]); //DtaManager dtaManager = new DtaManager(dtaname[i]); var spectraCache = new SpectraManagerCache(peptideMassCalculator); spectraCache.OpenFile(dtaname[i]); var paramFile = new ParameterFileManager(ascParam[i]); var ascoreEngine = new AScore_DLL.AScoreProcessor(); //ascoreEngine.AlgorithmRun(dtaManager, datasetMan, paramFile, outFile); ascoreEngine.RunAScoreOnSingleFile(spectraCache, datasetMan, paramFile, outFile); } }
/// <summary> /// Configure and run the AScore algorithm /// </summary> /// <param name="ascoreOptions"></param> /// <returns></returns> public int RunAScore(AScoreOptions ascoreOptions) { var paramManager = new ParameterFileManager(ascoreOptions.AScoreParamFile); RegisterEvents(paramManager); Console.WriteLine(); if (paramManager.DynamicMods.Count > 0 || paramManager.StaticMods.Count > 0) { OnStatusEvent("Loaded modifications from: " + ascoreOptions.AScoreParamFile); foreach (var mod in paramManager.StaticMods) { OnStatusEvent(Utilities.GetModDescription("Static, ", mod)); } foreach (var mod in paramManager.DynamicMods) { OnStatusEvent(Utilities.GetModDescription("Dynamic, ", mod)); } foreach (var mod in paramManager.TerminiMods) { OnStatusEvent(Utilities.GetModDescription("Terminus, ", mod)); } Console.WriteLine(); } PsmResultsManager psmResultsManager; switch (ascoreOptions.SearchType) { case AScoreOptions.SearchMode.XTandem: OnStatusEvent("Caching data in " + PathUtils.CompactPathString(ascoreOptions.DbSearchResultsFile, 80)); psmResultsManager = new XTandemFHT(ascoreOptions.DbSearchResultsFile); break; case AScoreOptions.SearchMode.Sequest: OnStatusEvent("Caching data in " + PathUtils.CompactPathString(ascoreOptions.DbSearchResultsFile, 80)); psmResultsManager = new SequestFHT(ascoreOptions.DbSearchResultsFile); break; case AScoreOptions.SearchMode.Inspect: OnStatusEvent("Caching data in " + PathUtils.CompactPathString(ascoreOptions.DbSearchResultsFile, 80)); psmResultsManager = new InspectFHT(ascoreOptions.DbSearchResultsFile); break; case AScoreOptions.SearchMode.Msgfdb: case AScoreOptions.SearchMode.Msgfplus: OnStatusEvent("Caching data in " + PathUtils.CompactPathString(ascoreOptions.DbSearchResultsFile, 80)); if (ascoreOptions.SearchResultsType == AScoreOptions.DbSearchResultsType.Mzid) { if (ascoreOptions.CreateUpdatedDbSearchResultsFile) { psmResultsManager = new MsgfMzidFull(ascoreOptions.DbSearchResultsFile); } else { psmResultsManager = new MsgfMzid(ascoreOptions.DbSearchResultsFile); } } else { psmResultsManager = new MsgfdbFHT(ascoreOptions.DbSearchResultsFile); } break; default: OnErrorEvent(string.Format( "Incorrect search type: {0} , supported values are {1}", ascoreOptions.SearchType, string.Join(", ", Enum.GetNames(typeof(AScoreOptions.SearchMode))) )); return(-13); } var peptideMassCalculator = new PeptideMassCalculator(); var spectraManager = new SpectraManagerCache(peptideMassCalculator); RegisterEvents(spectraManager); OnStatusEvent("Output directory: " + ascoreOptions.OutputDirectoryInfo.FullName); var ascoreEngine = new AScoreAlgorithm(); RegisterEvents(ascoreEngine); // Initialize the options FilterOnMSGFScore = ascoreOptions.FilterOnMSGFScore; // Run the algorithm if (ascoreOptions.MultiJobMode) { RunAScoreWithMappingFile(ascoreOptions, spectraManager, psmResultsManager, paramManager); } else { spectraManager.OpenFile(ascoreOptions.MassSpecFile, ascoreOptions.ModSummaryFile); RunAScoreOnSingleFile(ascoreOptions, spectraManager, psmResultsManager, paramManager); } OnStatusEvent("AScore Complete"); if (ascoreOptions.CreateUpdatedDbSearchResultsFile) { if (ascoreOptions.SearchResultsType == AScoreOptions.DbSearchResultsType.Fht) { CreateUpdatedFirstHitsFile(ascoreOptions); } else if (psmResultsManager is MsgfMzidFull mzidFull) { mzidFull.WriteToMzidFile(ascoreOptions.UpdatedDbSearchResultsFileName); OnStatusEvent("Results merged; new file: " + PathUtils.CompactPathString(ascoreOptions.UpdatedDbSearchResultsFileName, 80)); } } return(0); }
public void Sisi_Kidneys() { const string ascoreP = "HCDPhos.xml"; const string directSeq = @"C:\Users\aldr699\Documents\2012\Sisi_Work\DarthVehDas\Sequest"; const string directMsg = @"C:\Users\aldr699\Documents\2012\Sisi_Work\DarthVehDas\MSGFDB"; var fhtFiles = new List <string> { "Kidney_ACHN_Das_1_pTyr_HCD_8May12_Lynx_12-02-29_fht.txt", "Kidney_ACHN_Veh_1_pTyr_HCD_10May12_Lynx_12-02-29_fht.txt", "Kidney_ACHN_Veh_2_IMAC_HCD_10May12_Lynx_12-02-31_fht.txt", "Kidney_ACHN_Das_2_IMAC_HCD_11May12_Lynx_12-02-31_fht.txt" }; var msgfdbFile = new List <string> { "Kidney_ACHN_Das_1_pTyr_HCD_8May12_Lynx_12-02-29_msgfdb_fht.txt", "Kidney_ACHN_Veh_1_pTyr_HCD_10May12_Lynx_12-02-29_msgfdb_fht.txt", "Kidney_ACHN_Veh_2_IMAC_HCD_10May12_Lynx_12-02-31_msgfdb_fht.txt", "Kidney_ACHN_Das_2_IMAC_HCD_11May12_Lynx_12-02-31_msgfdb_fht.txt" }; const string direct2 = @"C:\Users\aldr699\Documents\2012\Sisi_Work\DarthVehDas"; var dtaFiles = new List <string> { "Kidney_ACHN_Das_1_pTyr_HCD_8May12_Lynx_12-02-29_dta.txt", "Kidney_ACHN_Veh_1_pTyr_HCD_10May12_Lynx_12-02-29_dta.txt", "Kidney_ACHN_Veh_2_IMAC_HCD_10May12_Lynx_12-02-31_dta.txt", "Kidney_ACHN_Das_2_IMAC_HCD_11May12_Lynx_12-02-31_dta.txt" }; var peptideMassCalculator = GetDefaultPeptideMassCalculator(); for (var j = 1; j < 2; j++) { for (var i = 0; i < 4; i++) { string fht; string direct; if (j == 0) { direct = directSeq; fht = fhtFiles[i]; } else { direct = directMsg; fht = msgfdbFile[i]; } var tempfht = Path.Combine(direct, fht); var tempdta = Path.Combine(direct2, dtaFiles[i]); var ascP = Path.Combine(direct2, ascoreP); var tempout = Path.Combine(direct, fhtFiles[i].Substring(0, fhtFiles[i].Length - 4) + "_AScore.txt"); PsmResultsManager dsman; if (j == 0) { dsman = new SequestFHT(tempfht); } else { dsman = new MsgfdbFHT(tempfht); } if (dsman == null) { Console.WriteLine("Failed to load fht"); } //DtaManager dtman = new DtaManager(tempdta); var spectraCache = new SpectraManagerCache(peptideMassCalculator); spectraCache.OpenFile(tempdta); var pman = new ParameterFileManager(ascP); var ascoreEngine = new AScore_DLL.AScoreProcessor(); //ascoreEngine.AlgorithmRun(dtman, dsman, pman, tempout); ascoreEngine.RunAScoreOnSingleFile(spectraCache, dsman, pman, tempout); } } }
public void QuYi() { const string direct = @"C:\Documents and Settings\aldr699\My Documents2011\EColiPhos"; const string ascoreP = "parameterFile.xml"; var fhtFiles = new List <string> { "775945_10012010_MG1655_phospho_s05_101002094806_msgfdb_fht.txt", "775946_10012010_MG1655_phospho_s11_101002094806_msgfdb_fht.txt", "775947_10022010_MG1655_phospho_s7_101002094806_msgfdb_fht.txt", "775948_10012010_MG1655_phospho_s10_101001105913_msgfdb_fht.txt", "775949_10012010_MG1655_phospho_s06_101002094806_msgfdb_fht.txt", "775950_10022010_MG1655_phospho_s12_101002094806_msgfdb_fht.txt", "775951_10022010_MG1655_phospho_S8FT_101005165350_msgfdb_fht.txt", "775944_10012010_MG1655_phospho_S_09_B_101001105913_msgfdb_fht.txt", "775942_09302010_MG1655_phospho_S_08_B_100930113735_msgfdb_fht.txt", "775952_10022010_MG1655_phospho_S11_rerun_101005165350_msgfdb_fht.txt", "775955_MG1655_phospho_S-01FT_5Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775956_MG1655_phospho_S-02FT_5Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775957_MG1655_phospho_S-03FT_8Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775958_MG1655_phospho_S-06FT_8Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775959_MG1655_phospho_S-09FT_12Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775960_MG1655_phospho_S-10FT_12Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775961_MG1655_phospho_S-12FT_15Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775962_MG1655_phospho_S-01_15Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775963_MG1655_phospho_S-02_17Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775964_MG1655_phospho_S-03_17Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775965_MG1655_phospho_S-04_17Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775966_MG1655_phospho_S-07_17Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775967_MG1655_phospho_S-12_19Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775968_MG1655_phospho_S-10_19Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775969_MG1655_phospho_S-09_19Nov10_Hawk_10-11-02p_msgfdb_fht.txt", "775953_10022010_MG1655_phospho_S05_rerun_101005165350_msgfdb_fht.txt", "775943_09302010_MG1655_phospho_S_04_B_100930113735_msgfdb_fht.txt", "775954_10022010_MG1655_phospho_S06_rerun_101005165350_msgfdb_fht.txt" }; var dtaFiles = new List <string> { "10012010_MG1655_phospho_s05_101002094806_dta.txt", "10012010_MG1655_phospho_s11_101002094806_dta.txt", "10022010_MG1655_phospho_s7_101002094806_dta.txt", "10012010_MG1655_phospho_s10_101001105913_dta.txt", "10012010_MG1655_phospho_s06_101002094806_dta.txt", "10022010_MG1655_phospho_s12_101002094806_dta.txt", "10022010_MG1655_phospho_S8FT_101005165350_dta.txt", "10012010_MG1655_phospho_S_09_B_101001105913_dta.txt", "09302010_MG1655_phospho_S_08_B_100930113735_dta.txt", "10022010_MG1655_phospho_S11_rerun_101005165350_dta.txt", "MG1655_phospho_S-01FT_5Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-02FT_5Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-03FT_8Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-06FT_8Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-09FT_12Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-10FT_12Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-12FT_15Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-01_15Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-02_17Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-03_17Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-04_17Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-07_17Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-12_19Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-10_19Nov10_Hawk_10-11-02p_dta.txt", "MG1655_phospho_S-09_19Nov10_Hawk_10-11-02p_dta.txt", "10022010_MG1655_phospho_S05_rerun_101005165350_dta.txt", "09302010_MG1655_phospho_S_04_B_100930113735_dta.txt", "10022010_MG1655_phospho_S06_rerun_101005165350_dta.txt" }; var peptideMassCalculator = GetDefaultPeptideMassCalculator(); for (var i = 0; i < fhtFiles.Count; i++) { var tempfht = Path.Combine(direct, fhtFiles[i]); var tempdta = Path.Combine(direct, dtaFiles[i]); var ascP = Path.Combine(direct, ascoreP); var tempout = Path.Combine(direct, fhtFiles[i].Substring(0, fhtFiles[i].Length - 4) + "_AScore.txt"); PsmResultsManager dsman = new MsgfdbFHT(tempfht); //DtaManager dtman = new DtaManager(tempdta); var spectraCache = new SpectraManagerCache(peptideMassCalculator); spectraCache.OpenFile(tempdta); var pman = new ParameterFileManager(ascP); var ascoreEngine = new AScore_DLL.AScoreProcessor(); //ascoreEngine.AlgorithmRun(dtman, dsman, pman, tempout); ascoreEngine.RunAScoreOnSingleFile(spectraCache, dsman, pman, tempout); } }