Source code:
@Grab(group='org.openscience.cdk', module='cdk-bundle', version='2.9')
import org.openscience.cdk.interfaces.*;
import org.openscience.cdk.*;
IBond.Order.each { order ->
bond = new Bond(
new Atom("C"), new Atom("C"),
order
)
println "Bond order $order has " +
bond.electronCount + " electrons"
}
Output:
Bond order SINGLE has 2 electrons
Bond order DOUBLE has 4 electrons
Bond order TRIPLE has 6 electrons
Bond order QUADRUPLE has 8 electrons
Bond order QUINTUPLE has 10 electrons
Bond order SEXTUPLE has 12 electrons
Bond order UNSET has 0 electrons