private int getDoubleBondedSulfurCount ( IAtomContainer ac , IAtom atom ) { List < IAtom > neighbours = ac . getConnectedAtomsList ( atom ) ; IBond bond ; int sdbcounter = 0 ; for ( IAtom neighbour : neighbours ) { if ( neighbour . getSymbol ( ) . equals ( "S" ) ) { if ( atom . getFormalCharge ( ) == 1 && neighbour . getFormalCharge ( ) == - 1 ) { sdbcounter += 1 ; } bond = ac . getBond ( neighbour , atom ) ; if ( ! neighbour . getFlag ( CDKConstants . ISAROMATIC ) ) { if ( bond . getOrder ( ) == IBond . Order . DOUBLE ) { sdbcounter += 1 ; } } } } return sdbcounter ; }
Gets the doubleBondedSulfurCount attribute of the XLogPDescriptor object .