void SpecificSpec::removeReactions() { while (!reactions().empty()) { reactions().begin()->second->remove(); } }
const scalar Context::calculateMaxCutoff() const { scalar max_cutoff{0}; for (const auto &entry : potentials().potentialsOrder2()) { for (const auto &potential : entry.second) { max_cutoff = std::max(max_cutoff, potential->getCutoffRadius()); } } for (const auto &entry : reactions().order2()) { for (const auto &reaction : entry.second) { max_cutoff = std::max(max_cutoff, reaction->eductDistance()); } } for (const auto &entry : _topologyRegistry.spatialReactionRegistry()) { for (const auto &reaction : entry.second) { max_cutoff = std::max(max_cutoff, reaction.radius()); } } return max_cutoff; }