public void TestRemove()
{
var filename = "NCDK.Data.MDL.iterconftest.sdf";
Trace.TraceInformation("Testing: " + filename);
var ins = ResourceLoader.GetAsStream(filename);
var reader = new EnumerableMDLConformerReader(ins).GetEnumerator();
reader.MoveNext();
var dummy = reader.Current;
reader.Reset();
}
static void Main()
{
{
#region
string filename = "/Users/rguha/conf2.sdf";
using (var srm = new FileStream(filename, FileMode.Open))
{
var reader = new EnumerableMDLConformerReader(srm, ChemObjectBuilder.Instance);
foreach (var cc in reader)
{
// do something
}
}
// do something with this set of conformers
#endregion
}
}