public static void fractionalToCartesian ( ICrystal crystal ) { Iterator < IAtom > atoms = crystal . atoms ( ) . iterator ( ) ; Vector3d aAxis = crystal . getA ( ) ; Vector3d bAxis = crystal . getB ( ) ; Vector3d cAxis = crystal . getC ( ) ; while ( atoms . hasNext ( ) ) { IAtom atom = atoms . next ( ) ; Point3d fracPoint = atom . getFractionalPoint3d ( ) ; if ( fracPoint != null ) { atom . setPoint3d ( fractionalToCartesian ( aAxis , bAxis , cAxis , fracPoint ) ) ; } } }
Creates Cartesian coordinates for all Atoms in the Crystal .