/// <summary>
/// Return a filtered substructure library
/// </summary>
/// <param name="original"></param>
/// <param name="filt"></param>
public SubstructureLibrary(SubstructureLibrary original, SubstructureLibraryFilter filt)
{
_name = original.Name;
_arEntries = new ArrayList();
_hsAssayResults = new Hashtable();
_hsChemIds = new Hashtable();
_propertyString = "Not loaded from file.";
// copy the entries from the previous library, but only if they are within range
foreach (SubstructureEntry ent in original.Entries)
{
if (filt.EntryName != "")
{
if (ent.Name == filt.EntryName)
{
_arEntries.Add(ent.Copy());
}
}
else
{
if (ent.NumEntries >= filt.MinCompounds && ent.NumEntries <= filt.MaxCompounds)
{
_arEntries.Add(ent.Copy());
}
}
}
}
private void cmdApplyFilterLib_Click(object sender, EventArgs e)
{
SubstructureLibraryFilter filt = new SubstructureLibraryFilter();
if (txtMaxCompounds.Text != "")
{
filt.MaxCompounds = Convert.ToInt32(txtMaxCompounds.Text);
}
if (txtMinCompounds.Text != "")
{
filt.MinCompounds = Convert.ToInt32(txtMinCompounds.Text);
}
filt.EntryName = txtEntryName.Text;
_env.ApplySubstructureLibraryFilter(filt);
lblSubsFiltProps.Text = _env.subsLib.FilteredLibrary.propertyString;
}
/// <summary>
/// Apply a filter to this substructure library and return the filtered library
/// This will also set the _filteredLib property of this object
/// </summary>
/// <param name="filt"></param>
/// <returns></returns>
public SubstructureLibrary ApplyFilter(SubstructureLibraryFilter filter)
{
_filter = filter;
_filteredLib = new SubstructureLibrary(this, filter);
return(_filteredLib);
}
public void ApplySubstructureLibraryFilter(SubstructureLibraryFilter filt)
{
_subsLib.ApplyFilter(filt);
}