Today I am having this problem in running this program please help me.
The Program is as follows:
1 import java.io.FileInputStream;
2 import java.io.FileNotFoundException;
3 import java.util.List;
4 import org.openscience.cdk.AtomContainer;
5 import org.openscience.cdk.ChemFile;
6 import org.openscience.cdk.exception.CDKException;
7 import org.openscience.cdk.interfaces.IMolecularFormula;
8 import org.openscience.cdk.io.CMLReader;
9 import org.openscience.cdk.tools.manipulator.ChemFileManipulator;
10 import org.openscience.cdk.tools.manipulator.MolecularFormulaManipulator;
11
12 public class MolecularFormularTest {
13
14 public static void main(String[] args) throws
FileNotFoundException,CDKException {
15
16 ChemFileManipulator chemFM = new ChemFileManipulator();
17 FileInputStream fileStream = new
FileInputStream("sources/143.cml");
18 CMLReader cmlReader = new CMLReader();
19 cmlReader.setReader(fileStream);
20 ChemFile chemFile = (ChemFile) cmlReader.read(new ChemFile());
21 List list = chemFM.getAllAtomContainers(chemFile);
22 AtomContainer atomContainer = (AtomContainer) list.get(0);
23
24 IMolecularFormula moleculeFormula = MolecularFormulaManipulator
25 .getMolecularFormula(atomContainer);
26 String formula =
MolecularFormulaManipulator.getString(moleculeFormula);
27 System.out.println("MolecularFormula: " + formula);
28
29 }
30}
At 25 line am getting Exception in thread "main" java.lang.NoSuchMethodError:
org.openscience.cdk.interfaces.IChemObjectBuilder.newMolecularFormula()Lorg/openscience/cdk/interfaces/IMolecularFormula;
at
org.openscience.cdk.tools.manipulator.MolecularFormulaManipulator.getMolecularFormula(MolecularFormulaManipulator.java:714)
at MolecularFormularTest.main(MolecularFormularTest.java:25)
So Please help me to solve the problem. and send me the improved program of
this program.
Thanking you.
chenshl
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