IncrementalScoringFunction::Data IncrementalScoringFunction::create_data(
ParticleIndex pi, RestraintsTemp cr,
const boost::unordered_map<Restraint *, int> &all,
const Restraints &dummies) const {
IMP_LOG_TERSE("Dependent restraints for particle "
<< get_model()->get_particle_name(pi) << " are " << cr
<< std::endl);
Data ret;
for (unsigned int j = 0; j < cr.size(); ++j) {
if (all.find(cr[j]) != all.end()) {
int index = all.find(cr[j])->second;
IMP_INTERNAL_CHECK(
std::find(ret.indexes.begin(), ret.indexes.end(), index) ==
ret.indexes.end(),
"Found duplicate restraint " << Showable(cr[j]) << " in list " << cr);
ret.indexes.push_back(index);
}
}
cr += RestraintsTemp(dummies.begin(), dummies.end());
ret.sf = new IncrementalRestraintsScoringFunction(
cr, 1.0, NO_MAX, get_model()->get_particle_name(pi) + " restraints");
return ret;
}
RestraintsTemp get_restraints(const Subset &s,
const ParticleStatesTable *pst,
const DependencyGraph &dg,
RestraintSet *rs) {
RestraintsTemp rw= get_restraints(RestraintsTemp(1, rs));
Subset other=pst->get_subset();
ParticlesTemp oms;
std::set_difference(other.begin(), other.end(),
s.begin(), s.end(),
std::back_inserter(oms));
IMP::compatibility::map<Restraint*, int> index
= IMP::base::internal::get_graph_index<Restraint>(dg);
Ints to_remove;
for (unsigned int i=0; i< rw.size(); ++i) {
if (IMP::internal::get_has_ancestor(dg, index[rw[i]], oms)) {
to_remove.push_back(i);
}
}
for (int i=to_remove.size()-1; i >=0; --i) {
rw.erase(rw.begin()+to_remove[i]);
}
return rw;
}
