// Linux: // compile with // mcs -platform:x64 -r:../RDKit2DotNet.dll -out:MolToFromByteArray.exe MolToFromByteArray.cs // and run with // LD_LIBRARY_PATH=..:$RDBASE/lib:$LD_LIBRARY_PATH MONO_PATH=.. mono MolToFromByteArray.exe using System.IO; using System.Diagnostics; using GraphMolWrap; public class MolToFromByteArrayTest { static void Main(string[] args) { string smi = "CN(C)c1ccc2c(=O)cc[nH]c2c1"; string pklFileName = "quinolone.pkl"; { ROMol mol = RWMol.MolFromSmiles(smi); byte[] pkl = mol.ToByteArray(); File.WriteAllBytes(pklFileName, pkl); mol.Dispose(); } { byte[] pkl = File.ReadAllBytes(pklFileName); ROMol mol = ROMol.FromByteArray(pkl); Debug.Assert(mol.MolToSmiles() == smi); mol.Dispose(); } } }