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using System;
using System.Collections.Generic;
using System.Linq;
using System.Text;
using GraphMolWrap;
using System.Diagnostics;
namespace RDKitCSharpTest
{
class Program
{
static void Main(string[] args)
{
// ----- Object creation -----
Console.WriteLine("Creating some objects:");
ROMol m1 = RWMol.MolFromSmiles("c1ccccc1");
Console.WriteLine(" mol: " + m1 + " " + m1.getNumAtoms());
ROMol m2 = RWMol.MolFromSmiles("c1ccccn1");
Console.WriteLine(" smi: " + m1 + " " + m1.MolToSmiles());
Console.WriteLine(" smi2: " + m2 + " " + m2.MolToSmiles());
ExplicitBitVect fp1 = RDKFuncs.LayeredFingerprintMol(m1);
ExplicitBitVect fp2 = RDKFuncs.LayeredFingerprintMol(m2);
Console.WriteLine(" sim: " + RDKFuncs.TanimotoSimilarityEBV(fp1, fp2));
//rxnTest();
//smiTest();
//morganTest();
ROMol m3 = RWMol.MolFromSmiles("c1ccccc1");
uint nAtoms = m3.getNumAtoms(true);
Console.WriteLine("Bulk memory leak test");
for (uint i = 0; i < 10000; ++i)
{
ROMol m4 = RWMol.MolFromSmiles("Clc1cccc(N2CCN(CCC3CCC(CC3)NC(=O)c3cccs3)CC2)c1Cl");
if ((i % 1000)==0) Console.WriteLine(" Done: " + i);
m4.Dispose();
//GC.Collect();
}
Console.WriteLine("Goodbye");
}
}
}
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