get csharp wrapper building with and useable within visual studio

2026-06-06 22:39:55 +08:00 · 2012-11-01 11:33:33 +00:00
parent 2e910c817f
commit a23c058463
7 changed files with 442 additions and 4 deletions
--- a/Code/JavaWrappers/csharp_wrapper/RDKitCSharpTest/Program.cs
+++ b/Code/JavaWrappers/csharp_wrapper/RDKitCSharpTest/Program.cs
@@ -0,0 +1,49 @@
+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");
+        }
+    }
+}