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();
}
