ModelObjectsTemp CoreClosePairContainer::do_get_inputs() const {
ParticleIndexes all=c_->get_all_possible_indexes();
ModelObjectsTemp ret= IMP::get_particles(get_model(), all);
for (unsigned int i=0; i< get_number_of_pair_filters(); ++i) {
ret+= get_pair_filter(i)->get_inputs(get_model(), all);
}
ret+=cpf_->get_inputs(get_model(), all);
ret.push_back(c_);
ret.push_back(moved_);
return ret;
}
void CoreCloseBipartitePairContainer::do_before_evaluate() {
IMP_OBJECT_LOG;
if (covers_[0]==base::get_invalid_index<ParticleIndexTag>()
|| algebra::get_distance(get_model()->get_sphere(covers_[0]),
get_model()->get_sphere(covers_[1]))
< distance_ || reset_) {
if (!reset_ && were_close_ && !internal::get_if_moved(get_model(), slack_,
xyzrs_[0], rbs_[0],
constituents_,
rbs_backup_[0],
xyzrs_backup_[0])
&& !internal::get_if_moved(get_model(), slack_,
xyzrs_[1], rbs_[1], constituents_,
rbs_backup_[1], xyzrs_backup_[1])){
// all ok
} else {
// rebuild
IMP_LOG(TERSE, "Recomputing bipartite close pairs list." << std::endl);
internal::reset_moved(get_model(),
xyzrs_[0], rbs_[0], constituents_,
rbs_backup_[0], xyzrs_backup_[0]);
internal::reset_moved(get_model(),
xyzrs_[1], rbs_[1], constituents_,
rbs_backup_[1], xyzrs_backup_[1]);
ParticleIndexPairs pips;
internal::fill_list(get_model(), access_pair_filters(),
key_, 2*slack_+distance_, xyzrs_, rbs_,
constituents_, pips);
reset_=false;
update_list(pips);
}
were_close_=true;
} else {
ParticleIndexPairs none;
update_list(none);
}
IMP_IF_CHECK(base::USAGE_AND_INTERNAL) {
for (unsigned int i=0; i< sc_[0]->get_number_of_particles(); ++i) {
XYZR d0(sc_[0]->get_particle(i));
for (unsigned int j=0; j< sc_[1]->get_number_of_particles(); ++j) {
XYZR d1(sc_[1]->get_particle(j));
double dist = get_distance(d0, d1);
if (dist < .9*distance_) {
ParticleIndexPair pip(d0.get_particle_index(),
d1.get_particle_index());
bool filtered=false;
for (unsigned int i=0; i< get_number_of_pair_filters(); ++i) {
if (get_pair_filter(i)->get_value_index(get_model(), pip)) {
filtered=true;
break;
}
}
IMP_INTERNAL_CHECK(filtered|| std::find(get_access().begin(),
get_access().end(), pip)
!= get_access().end(),
"Pair " << pip
<< " not found in list with coordinates "
<< d0 << " and " << d1
<< " list is " << get_access());
}
}
}
}
}
