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https://github.com/rdkit/rdkit.git
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get this working with a jar instead of a directory full of class files
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@@ -3,11 +3,9 @@
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//
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// @@ All Rights Reserved @@
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import org.junit.*;
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import static org.junit.Assert.*;
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import org.RDKit.*;
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public class main {
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static {
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try {
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System.loadLibrary("RDKFuncs");
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@@ -16,10 +14,8 @@ public class main {
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System.exit(1);
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}
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}
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public static void main(String argv[]) {
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String smiles="c1ccccc1";
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//RDKitMol mol= RDKFuncs.MolFromSmiles(smiles);
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ROMol mol= RDKFuncs.MolFromSmiles(smiles);
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long nAtoms = mol.getNumAtoms();
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System.out.println("nAtoms: " + nAtoms);
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