public List < Orbit > calculateOrbits ( ) { List < Orbit > orbits = new ArrayList < Orbit > ( ) ; List < SymmetryClass > symmetryClasses = super . getSymmetryClasses ( ) ; for ( SymmetryClass symmetryClass : symmetryClasses ) { Orbit orbit = new Orbit ( symmetryClass . getSignatureString ( ) , - 1 ) ; for ( int atomIndex : symmetryClass ) { orbit . addAtom ( atomIndex ) ; } orbits . add ( orbit ) ; } return orbits ; }
Calculates the orbits of the atoms of the molecule .