public static void Main(string[] args)
{
OpenFileDialog openFileDialog = new OpenFileDialog();
openFileDialog.Filter = "Chemical Markup Language file (*.cml)|*.cml";
if (openFileDialog.ShowDialog() == DialogResult.OK)
{
OrganicMolecule x = new OrganicMolecule(CML.ParseCML(File.OpenRead(openFileDialog.FileName)));
Console.WriteLine(SMILES.SMILESNotation(x));
Console.WriteLine(x.ToString());
Console.ReadLine();
}
}
public OrganicMoleculeNamer(OrganicMolecule mol)
: this(mol.chain, mol.PrincipalGroup())
{
}