/** * \file TripletsRestraint.cpp * \brief Implementation * * This file is generated by a script (core/tools/make-container). * Do not edit directly. * * Copyright 2007-2010 IMP Inventors. All rights reserved. * */ #include "IMP/core/internal/CoreTripletsRestraint.h" #include #include #include IMPCORE_BEGIN_INTERNAL_NAMESPACE CoreTripletsRestraint ::CoreTripletsRestraint(TripletScore *ss, TripletContainer *pc, std::string name): Restraint(name), ss_(ss), pc_(pc) { } double CoreTripletsRestraint ::unprotected_evaluate(DerivativeAccumulator *accum) const { IMP_OBJECT_LOG; IMP_CHECK_OBJECT(ss_); IMP_CHECK_OBJECT(pc_); score_= pc_->evaluate(ss_, accum); return score_; } double CoreTripletsRestraint ::unprotected_incremental_evaluate(DerivativeAccumulator *accum) const { IMP_OBJECT_LOG; IMP_CHECK_OBJECT(ss_); IMP_CHECK_OBJECT(pc_); IMP_LOG(VERBOSE, "Scores are " << score_); score_+=pc_->evaluate_change(ss_, accum); // compute the base for the added ones IMP_LOG(VERBOSE, " " << score_); score_ +=pc_->get_added_triplets_container() ->evaluate_prechange(ss_, accum); IMP_LOG(VERBOSE," " << score_); if (accum) { DerivativeAccumulator nda(*accum, -1); score_ -=pc_->get_removed_triplets_container() ->evaluate_prechange(ss_, &nda); } else { score_ -=pc_->get_removed_triplets_container() ->evaluate_prechange(ss_, NULL); } IMP_LOG(VERBOSE," " << score_ << std::endl); return score_; } ParticlesList CoreTripletsRestraint::get_interacting_particles() const { IMP_OBJECT_LOG; ParticlesList ret0= IMP::internal::get_interacting_particles(pc_.get(), ss_.get()); return ret0; } ParticlesTemp CoreTripletsRestraint::get_input_particles() const { IMP_OBJECT_LOG; ParticlesTemp ret0= IMP::internal::get_input_particles(pc_.get(), ss_.get()); return ret0; } ContainersTemp CoreTripletsRestraint::get_input_containers() const { ContainersTemp ret= IMP::internal::get_input_containers(pc_.get(), ss_.get()); ret.push_back(pc_); return ret; } void CoreTripletsRestraint::do_show(std::ostream& out) const { out << "score " << *ss_ << std::endl; out << "container " << *pc_ << std::endl; } IMPCORE_END_INTERNAL_NAMESPACE