Mappings filter(Mappings mappings, IAtomContainer query, IAtomContainer target) { // apply required post-match filters if (hasStereo) { mappings = hasQueryStereo ? mappings.filter(new QueryStereoFilter(query, target)) : mappings.filter(new StereoMatch(query, target)); } if (hasCompGrp) mappings = mappings.filter(new ComponentFilter(query, target)); if (hasRxnMap) mappings = mappings.filter(new AtomMapFilter(query, target)); return mappings; }
static ComponentFilter create(int[] grouping, IAtomContainer container) { return new ComponentFilter(grouping, new ConnectedComponents(GraphUtil.toAdjList(container)).components()); }