cdkbook

CreateAtom2.groovy

Source code:

@Grab(group='org.openscience.cdk', module='cdk-bundle', version='2.9')

import org.openscience.cdk.interfaces.*;
import org.openscience.cdk.*;
import org.openscience.cdk.config.Elements;

IAtom atom = new Atom(Elements.CARBON);
assert atom.atomicNumber == 6;
println "atomic number: " +
  atom.atomicNumber

Output:

atomic number: 6

This site is open source. Improve this page.