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;
}
