private List < Integer [ ] > getAtomNoPairsForRingGroup ( IAtomContainer molecule , List < Integer > bondsToCheck ) { List < Integer [ ] > aptc = new ArrayList < Integer [ ] > ( ) ; for ( Integer i : bondsToCheck ) { Integer [ ] aps = new Integer [ 2 ] ; aps [ 0 ] = molecule . indexOf ( molecule . getBond ( i ) . getBegin ( ) ) ; aps [ 1 ] = molecule . indexOf ( molecule . getBond ( i ) . getEnd ( ) ) ; aptc . add ( aps ) ; } return aptc ; }
Gets List of atom number pairs for each bond in a list of bonds for the molecule .