Re: [OpenBabel-Devel] openbabel substurcture

2013-02-13 Thread Noel O'Boyle
If using Eclipse, you can ask it to add the necessary imports. (If not using Eclipse, good luck writing Java :-) In this case, I'm guessing something like "import org.openbabel.vectorvint" or so...? - Noel On 12 February 2013 09:09, mounika wrote: > In Substructure search i am using the followi

[OpenBabel-Devel] openbabel substurcture

2013-02-13 Thread mounika
In Substructure search i am using the following code import org.openbabel.OBMol; import org.openbabel. OBConversion; import org.openbabel.OBSmartsPattern; import java.util.*; public class test1 { public static void main(String args[]) { System.loadLibrary("openbabel_java"); String molecule="CCC

Re: [OpenBabel-Devel] openbabel substurcture

2013-02-11 Thread Noel O'Boyle
The vector should have a size() method to tell you the size, and a get() method to access the elements (e.g. get(0), get(1)). The elements are also vectors. On 9 February 2013 06:31, mounika wrote: > Hai > I could successfully integrate OpenBabel in to our project. We are using > OpenBabel Java

[OpenBabel-Devel] openbabel substurcture

2013-02-11 Thread mounika
Hai I could successfully integrate OpenBabel in to our project. We are using OpenBabel Java libraries for integration.Exact search is working successfully with out any issues but, i got struck with substructure search.I tried to handle this using SmartsPattern class GetMaplist() method but unsucce