How to use ElementalAnalyserPlugin?

User ceff79a960

18-04-2008 15:33:50

hello all, I am a student who wants to build a chimical database , and I want to save the exacmass and the formula to database, and I have tried to use the API of ElementalAnalyserPlugin, but it came out always the erreurs "Unhandled exception type PluginException "

here is my code :

package masstest;

import chemaxon.formats.*;

import chemaxon.marvin.plugin.*;

import chemaxon.struc.*;

import java.util.Properties;

import java.lang.*;


import chemaxon.calculations.*;

public class calcul {

public static void main(String[] args) {

ElementalAnalyserPlugin elemanal = new ElementalAnalyserPlugin();

// run plugin on target molecules

MolImporter mi = new MolImporter(input.smiles);

Molecule mol = null;

while ((mol = != null) {

// set target molecule


double exactMass = elemanal.getExactMass();

String formula = elemanal.getFormula();

// now use the results...




Can anyone help me ? thank you

ChemAxon e08c317633

21-04-2008 09:33:33


You have two options:

1. catch the exception (surround with try/catch block the code part that trows exception),

2. add "throw PluginException" after the "public static void main(String[] args)" method declaration.

You may find useful these readings:

1. The Java Tutorials, Lesson: Exceptions

2. Bruce Eckel, Thinking in Java, 3rd ed. Revision 4.0, Chapter 9: Error Handling with Exceptions

I hope this helps.