2009-09-21 11:12:00 +00:00
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import org.openbabel.*;
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2009-03-23 02:13:53 +00:00
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2008-05-16 21:07:13 +00:00
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public class OBTest
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{
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2009-09-21 11:12:00 +00:00
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public OBTest()
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{
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System.loadLibrary("openbabel_java");
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}
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2008-05-16 21:07:13 +00:00
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2009-09-21 11:12:00 +00:00
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public void run()
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{
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OBConversion c = new OBConversion();
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OBMol mol = new OBMol();
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2008-05-16 21:07:13 +00:00
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2009-09-21 11:12:00 +00:00
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c.SetInFormat("smi");
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c.ReadString(mol, "c1ccccc1");
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2008-05-16 21:07:13 +00:00
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2009-09-21 11:12:00 +00:00
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System.out.println("Benzene has " + mol.NumAtoms()
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+ " atoms.");
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}
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2008-05-16 21:07:13 +00:00
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2009-09-21 11:12:00 +00:00
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public static void main(String[] args)
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{
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System.out.println("Running OBTest...");
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OBTest test = new OBTest();
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test.run();
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}
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2008-05-16 21:07:13 +00:00
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}
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