/** * Special case congestion minimisation, rotate terminals bonds around ring * systems so they are inside the ring. * * @param pairs congested atom pairs */ void invert(Collection<AtomPair> pairs) { for (AtomPair pair : pairs) { if (congestion.contribution(pair.fst, pair.snd) < MIN_SCORE) continue; if (fusionPointInversion(pair)) continue; if (macroCycleInversion(pair)) continue; } }
/** * Special case congestion minimisation, rotate terminals bonds around ring * systems so they are inside the ring. * * @param pairs congested atom pairs */ void invert(Collection<AtomPair> pairs) { for (AtomPair pair : pairs) { if (congestion.contribution(pair.fst, pair.snd) < MIN_SCORE) continue; if (fusionPointInversion(pair)) continue; if (macroCycleInversion(pair)) continue; } }
(delta > 1 && congestion.contribution(pair.fst, pair.snd) < MIN_SCORE)) { continue Pair; } else {
(delta > 1 && congestion.contribution(pair.fst, pair.snd) < MIN_SCORE)) { continue Pair; } else {
for (int u = 0; u < numAtoms; u++) { for (int v = u + 1; v < numAtoms; v++) { double contribution = congestion.contribution(u, v);
for (int u = 0; u < numAtoms; u++) { for (int v = u + 1; v < numAtoms; v++) { double contribution = congestion.contribution(u, v);