File: OBTest.java

package info (click to toggle)
openbabel 2.3.2%2Bdfsg-2
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 75,308 kB
  • ctags: 41,952
  • sloc: cpp: 321,252; ansic: 89,228; python: 7,262; perl: 6,418; pascal: 793; sh: 194; xml: 97; ruby: 55; makefile: 47; java: 23
file content (30 lines) | stat: -rw-r--r-- 475 bytes parent folder | download | duplicates (9)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
import org.openbabel.*;

public class OBTest
{
 public OBTest()
 {
   System.loadLibrary("openbabel_java");
 }

 public void run()
 {
   OBConversion c = new OBConversion();
   OBMol mol = new OBMol();

   c.SetInFormat("smi");
   c.ReadString(mol, "c1ccccc1");

   System.out.println("Benzene has " + mol.NumAtoms()
+ " atoms.");
 }

 public static void main(String[] args)
 {
   System.out.println("Running OBTest...");

   OBTest test = new OBTest();

   test.run();
 }
}