@ Override public boolean add ( IAtomContainer atomContainer ) { if ( this . atomContainer == null ) { this . atomContainer = atomContainer ; title = ( String ) atomContainer . getTitle ( ) ; } if ( title == null ) { throw new IllegalArgumentException ( "At least one of the input molecules does not have a title" ) ; } if ( ! title . equals ( atomContainer . getTitle ( ) ) ) throw new IllegalArgumentException ( "The input molecules does not have the same title ('" + title + "') as the other conformers ('" + atomContainer . getTitle ( ) + "')" ) ; if ( atomContainer . getAtomCount ( ) != this . atomContainer . getAtomCount ( ) ) throw new IllegalArgumentException ( "Doesn't have the same number of atoms as the rest of the conformers" ) ; coordinates . add ( getCoordinateList ( atomContainer ) ) ; return true ; }
Add a conformer to the end of the list .