cdkbook

AtomContainerAddAtomsAndBonds.groovy

Source code:

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

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

mol = new AtomContainer();
mol.addAtom(new Atom("C"));
mol.addAtom(new Atom("H"));
mol.addAtom(new Atom("H"));
mol.addAtom(new Atom("H"));
mol.addAtom(new Atom("H"));
mol.addBond(new Bond(mol.getAtom(0), mol.getAtom(1)));
mol.addBond(new Bond(mol.getAtom(0), mol.getAtom(2)));
mol.addBond(new Bond(mol.getAtom(0), mol.getAtom(3)));
mol.addBond(new Bond(mol.getAtom(0), mol.getAtom(4)));

Output:

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