示例#1
0
 public static string SMILESNotation(OrganicMolecule mol)
 {
     return new SMILESGenerator(mol).SMILESNotation;
 }
示例#2
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 public SMILESGenerator(OrganicMolecule mol)
 {
     this.mol = mol;
     smiles = "";
     GenerateSMILES();
 }