ModelObjectsTemp CoreClosePairContainer::do_get_inputs() const { ModelObjectsTemp ret; ret.push_back(c_); ret.push_back(score_state_); ret.push_back(moved_); return ret; }
ModelObjectsTemp CoreClosePairContainer::get_score_state_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; }
ModelObjectsTemp RevoluteJointMover::do_get_inputs() const { ModelObjectsTemp ret; core::RigidMembers tmp(joints_[0]->get_parent_node().get_rigid_members()); for (unsigned int i = 0; i < tmp.size(); ++i) ret.push_back(tmp[i]); //->get_particle()); for (unsigned int j = 0; j < joints_.size(); ++j) { tmp = joints_[j]->get_child_node().get_rigid_members(); for (unsigned int i = 0; i < tmp.size(); ++i) ret.push_back(tmp[i]); //->get_particle()); } return ret; }
ModelObjectsTemp ConnectivityRestraint::do_get_inputs() const { if (!sc_) return ModelObjectsTemp(); ModelObjectsTemp ret; ret += ps_->get_inputs(get_model(), sc_->get_all_possible_indexes()); ret.push_back(sc_); return ret; }
ModelObjectsTemp MovedSingletonContainer::get_score_state_inputs() const { ModelObjectsTemp ret = IMP::get_particles(get_model(), pc_->get_indexes()); ret.push_back(pc_); ret += get_extra_inputs(); return ret; }
ModelObjectsTemp EnvelopePenetrationRestraint::do_get_inputs() const { ModelObjectsTemp pt; for (ParticleConstIterator it = particles_begin(); it != particles_end(); ++it) { pt.push_back(*it); } return pt; }
ModelObjectsTemp KinematicForestScoreState::do_get_outputs() const { ModelObjectsTemp ret; ret += atoms_; for (unsigned int i = 0; i < rbs_.size(); i++) { ret.push_back(rbs_[i]); } return ret; }
kernel::ModelObjectsTemp RigidBodyUmbrella::do_get_inputs() const { kernel::Model *m = get_model(); ModelObjectsTemp ret; //reference rb ret.push_back(m->get_particle(ref_)); kernel::ParticleIndexes pref( RigidBody(m, ref_).get_member_indexes()); for (unsigned i=0; i<pref.size(); i++) ret.push_back(m->get_particle(pref[i])); //target rb ret.push_back(m->get_particle(pi_)); kernel::ParticleIndexes iref( RigidBody(m, pi_).get_member_indexes()); for (unsigned i=0; i<iref.size(); i++) ret.push_back(m->get_particle(iref[i])); return ret; }
ModelObjectsTemp DensityFillingRestraint::do_get_inputs() const { ModelObjectsTemp pt; for (ParticleConstIterator it = particles_begin(); it != particles_end(); ++it) { pt.push_back(*it); } return pt; }
IMPKINEMATICS_BEGIN_NAMESPACE ModelObjectsTemp KinematicForestScoreState::do_get_inputs() const { ModelObjectsTemp ret; ret += atoms_; for (unsigned int i = 0; i < rbs_.size(); i++) { ret.push_back(rbs_[i]); } return ret; }
ModelObjectsTemp GaussianProcessInterpolation::get_inputs() const { ModelObjectsTemp ret; ModelObjectsTemp ret1 = mean_function_->get_inputs(); ret.insert(ret.end(), ret1.begin(), ret1.end()); ret.push_back(sigma_); ModelObjectsTemp ret2 = covariance_function_->get_inputs(); ret.insert(ret.end(), ret2.begin(), ret2.end()); return ret; }
ModelObjectsTemp SameResiduePairFilter::do_get_inputs( Model *m, const ParticleIndexes &pis) const { ModelObjectsTemp ret = IMP::get_particles(m, pis); for (unsigned int i = 0; i < pis.size(); ++i) { if (Atom::get_is_setup(m, pis[i])) { Particle *parent = Hierarchy(m, pis[i]).get_parent(); if (parent) { ret.push_back(parent); } } } return ret; }
ModelObjectsTemp BondedPairFilter::do_get_inputs( Model *m, const ParticleIndexes &pis) const { ModelObjectsTemp ret = IMP::get_particles(m, pis); for (unsigned int i = 0; i < pis.size(); ++i) { if (Bonded::get_is_setup(m, pis[i])) { Bonded b(m, pis[i]); for (unsigned int i = 0; i < b.get_number_of_bonds(); ++i) { ret.push_back(b.get_bond(i)); } } } return ret; }
ModelObjectsTemp HelixRestraint::do_get_inputs() const { ModelObjectsTemp ps; Model *m = get_model(); for (IMP::Vector<IMP::PointerMember< core::MultipleBinormalRestraint> >::const_iterator td = dihedral_rs_.begin(); td != dihedral_rs_.end(); ++td){ ModelObjectsTemp bps = (*td)->get_inputs(); ps.insert(ps.end(), bps.begin(), bps.end()); } for (ParticleIndexPairs::const_iterator tb = bonds_ON_.begin(); tb != bonds_ON_.end(); ++tb) { ps.push_back(m->get_particle((*tb)[0])); ps.push_back(m->get_particle((*tb)[1])); } return ps; }
ModelObjectsTemp DummyPairContainer::do_get_inputs() const { ModelObjectsTemp ret = cpf_->get_inputs(get_model(), c_->get_indexes()); ret.push_back(c_); return ret; }
ModelObjectsTemp ParticlesDummyRestraint::do_get_inputs() const { ModelObjectsTemp ret = container_->get_particles(); ret.push_back(container_); return ret; }
ModelObjectsTemp MovedSingletonContainer::do_get_inputs() const { ModelObjectsTemp ret; ret.push_back(pc_); ret.push_back(score_state_); return ret; }
// We also need to know which particles are used (as some are // used, but don't create interactions). ModelObjectsTemp Em2DRestraint::do_get_inputs() const { ModelObjectsTemp ret = particles_container_->get_particles(); ret.push_back(particles_container_); return ret; }