[Cdk-devel] [ cdk-Bugs-620121 ] FileConvertor question

[<no...@so...>]

Bugs item #620121, was opened at 2002-10-08 10:28
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=120024&aid=620121&group_id=20024

Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Hans Vanderzijl (hansvdz)
>Assigned to: Egon Willighagen (egonw)
Summary: FileConvertor question

Initial Comment:
I have problems using the FileConvertor.
I want to convert a cml file to a mol file. The mol file is 
created without the bonds.
I made a TestFileConvertor that converts a molecule.cml 
to a molecule.mol.

import org.openscience.cdk.applications.FileConvertor;

public class TestFileConvertor {
  public TestFileConvertor() {}
  public static void main(String[] args) {
    FileConvertor convertor = new FileConvertor
("CML", "MOL");
    boolean success = convertor.convert
("molecule.cml", "molecule.mol");
    if (success) {
      System.out.println("Conversion succeeded!");
    }
    else {
      System.out.println("Conversion failed!");
    }
  }
}

The result is a molecule.mol -> 0 KB
 and molecule.mol.1 -> 1 KB
This is the molecule.mol.1:



 11  0  0  0  0  0  0  0  0  0  1 V2000
   74.3110  113.1112    0.0000 C   0  0  0  0  0  0  0  0  
0  0  0  0
   90.2001   82.3400    0.0000 C   0  0  0  0  0  0  0  0  
0  0  0  0
   93.6475  142.5366    0.0000 C   0  0  0  0  0  0  0  0  
0  0  0  0
   39.2512  115.2129    0.0000 C   0  0  0  0  0  0  0  0  
0  0  0  0
  124.7528   80.2384    0.0000 C   0  0  0  0  0  0  0  0  
0  0  0  0
   71.1147   53.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  
0  0  0
  128.1173  140.6861    0.0000 C   0  0  0  0  0  0  0  0  
0  0  0  0
   23.6157  146.6570    0.0000 O   0  0  0  0  0  0  0  0  
0  0  0  0
   20.0000   86.2093    0.0000 Cl  0  0  0  0  0  0  0  0  0  
0  0  0
  144.0064  109.2444    0.0000 C   0  0  0  0  0  0  0  0  
0  0  0  0
  179.0638  107.2257    0.0000 Cl  0  0  0  0  0  0  0  0  
0  0  0  0
M END

I added xerces-1.3.0.jar and gnujaxp.jar to the classpath.
I upload the molecule.cml

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You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=120024&aid=620121&group_id=20024