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ab980bca44
* wip * - avoid leaking memory after instantiating UChar_Vect - fix some indentation - make it easier to read/write pickles as native byte arrays from Java and C# - add tests --------- Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
30 lines
776 B
C#
30 lines
776 B
C#
// Linux:
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// compile with
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// mcs -platform:x64 -r:../RDKit2DotNet.dll -out:MolToFromByteArray.exe MolToFromByteArray.cs
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// and run with
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// LD_LIBRARY_PATH=..:$RDBASE/lib:$LD_LIBRARY_PATH MONO_PATH=.. mono MolToFromByteArray.exe
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using System.IO;
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using System.Diagnostics;
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using GraphMolWrap;
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public class MolToFromByteArrayTest
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{
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static void Main(string[] args)
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{
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string smi = "CN(C)c1ccc2c(=O)cc[nH]c2c1";
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string pklFileName = "quinolone.pkl";
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{
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ROMol mol = RWMol.MolFromSmiles(smi);
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byte[] pkl = mol.ToByteArray();
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File.WriteAllBytes(pklFileName, pkl);
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mol.Dispose();
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}
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{
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byte[] pkl = File.ReadAllBytes(pklFileName);
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ROMol mol = ROMol.FromByteArray(pkl);
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Debug.Assert(mol.MolToSmiles() == smi);
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mol.Dispose();
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}
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}
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} |