public SEAAnalysis(Hashtable results, SEAEnvironment environment) { _substructureLibrary = environment.subsLib; _hsAssayResults = results; _stats = environment.stats; _customFunctionsDir = environment.CustomFunctionsDir; }
public SEAAnalysis(SubstructureLibrary library, Hashtable results, StatisticsCollection stats, string CustomFunctionsDir) { _substructureLibrary = library; _hsAssayResults = results; _stats = stats; _customFunctionsDir = CustomFunctionsDir; }
/// <summary> /// Constructor for the FormMain form /// </summary> public FormMain() { InitializeComponent(); // set application paths _appPath = System.IO.Path.GetDirectoryName(System.Windows.Forms.Application.ExecutablePath); _subLibPath = _appPath + "\\" + SUBSTRUCTURE_DIR; _outputPath = _appPath + "\\" + OUTPUT_DIR; _statisticsFile = _appPath + "\\" + STATISTICS_DIR + "\\" + STATISTICS_FILE; _functionsDir = _appPath + "\\" + STATISTICS_DIR + "\\" + FUNCTIONS_DIR; // init controls lstSubsLib.DisplayMember = "NameNoExt"; lstAssayResults.DisplayMember = "NameNoExt"; lstAnalysisResults.DisplayMember = "NameNoExt"; // fill substructure library listbox with list of available files DirectoryInfo di = new DirectoryInfo(_subLibPath); FileInfo[] rgFiles = di.GetFiles("*.txt"); foreach (FileInfo fi in rgFiles) { lstSubsLib.Items.Add(new FileInfoExtended(fi)); } _stats = new StatisticsCollection(); SetGUIItems(STATE_START); }
/// <summary> /// Return a copy of this StatisticsCollection /// </summary> /// <returns></returns> public StatisticsCollection Copy() { StatisticsCollection _return = new StatisticsCollection(); foreach (StatisticsEntry stat in _arEntries) { _return.Add(stat.Copy()); } return(_return); }
public SEAEnvironment() { // set application paths _appPath = System.IO.Path.GetDirectoryName(System.Windows.Forms.Application.ExecutablePath); _subLibPath = _appPath + "\\" + SUBSTRUCTURE_DIR; _outputPath = _appPath + "\\" + OUTPUT_DIR; _statisticsFile = _appPath + "\\" + STATISTICS_DIR + "\\" + STATISTICS_FILE; _functionsDir = _appPath + "\\" + STATISTICS_DIR + "\\" + FUNCTIONS_DIR; _stats = new StatisticsCollection(); _subsLib = new SubstructureLibrary("Substructure Library"); _hsAssayResults = new Hashtable(); }
/// <summary> /// Write out a file containing stats for an individual assay result versus this substructure library /// </summary> /// <param name="assayName"></param> public void WriteAssayAnalysisFile(string assayName, string dirName) { AssayResults ar = (AssayResults)_hsAssayResults[assayName]; string filename = dirName + "\\" + assayName + ".txt"; StreamWriter sw = new StreamWriter(filename); StringBuilder sb = new StringBuilder(); StatisticsCollection stats = ar.StatCollection; // output the statistics results foreach (StatisticsEntry stat in stats.Entries) { if (stat.Perform) { sb.Length = 0; sb.Append(stat.Name); sb.Append("\t" + stat.Result.ToString()); foreach (SubstructureEntry ent in _arEntries) { sb.Append("\t" + ((AssayResults)ent.AssayResultsHash[assayName]).StatCollection.Item(stat.Name).Result); } sw.WriteLine(sb.ToString()); } } //column headers sb.Length = 0; sb.Append("SID\tAll Results"); foreach (SubstructureEntry ent in _arEntries) { sb.Append("\t" + ent.Name); } sw.WriteLine(sb.ToString()); // following lines - all SIDs for the library, followed by the individual result for that substructure library, // if it exists foreach (string SID in ar.ResultHash.Keys) { sb.Length = 0; sb.Append(SID + "\t" + ar.ResultHash[SID].ToString()); foreach (SubstructureEntry ent in _arEntries) { sb.Append("\t"); if (((AssayResults)ent.AssayResultsHash[assayName]).ResultHash.ContainsKey(SID)) { sb.Append(((AssayResults)ent.AssayResultsHash[assayName]).ResultHash[SID].ToString()); } } sw.WriteLine(sb.ToString()); } // close file sw.Close(); }