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Rosetta
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#include <HierarchicalLevel.hh>

Public Member Functions | |
| HierarchicalLevel (core::Size nlevels, std::string const &filename) | |
| HierarchicalLevel (core::Size nlevels) | |
| HierarchicalLevel (core::Size level, core::Size max_levels) | |
| std::string & | filename () |
| void | fill_top_level (Pool_RMSD_OP &top_level_pool) |
| void | get_addresses_at_level (utility::vector1< Address > &) |
| void | debug_print_hierarchy () |
| void | debug_print_size_per_level () |
| void | print_addresses_at_level () |
| HierarchicalLevelOP | next_level () |
| core::Size | size () |
| core::Size | level_size (core::Size level) |
| core::Size | pool_size (Address &address, core::Size level) |
| core::Size | top_level_pool_size () |
| Address & | address (core::Size index) |
| void | radius (core::Real radius) |
| core::Real | radius () |
| core::Real | level_radius (core::Size level) |
| core::Size | level () |
| core::Size | nlevels () |
| void | max_cache_size (core::Size max_size) |
| core::Size | max_cache_size () |
| bool | has_next_level () |
| void | clear () |
| void | add_new (core::pose::Pose const &pose, std::string &tag, Address &address, bool write_to_file, core::Size new_level) |
| void | add_new (core::io::silent::SilentStruct &, std::string &tag, Address &address, bool write_to_file, core::Size new_level) |
| bool | add_new (FArray2D_double &, std::string &tag, Address &address) |
| bool | add_new (FArray2D_double &, std::string &tag, Address &address, bool resolve_remaining_levels) |
| void | add_to_top_level (FArray2D_double &, std::string &tag) |
| bool | equal_addresses (Address &address1, Address &address2) |
| core::Size | evaluate (core::pose::Pose const &pose, std::string &best_decoy, utility::vector1< core::Real > &best_rmsd, Address &address) |
| core::Size | evaluate (core::io::silent::SilentStruct const &, std::string &best_decoy, utility::vector1< core::Real > &best_rmsd, Address &address) |
| core::Size | evaluate (FArray2D_double &, std::string &best_decoy, utility::vector1< core::Real > &best_rmsd, Address &address) |
| core::Size | evaluate (FArray2D_double &, std::string &best_decoy, utility::vector1< core::Real > &best_rmsd, Address &address, bool reset_all_levels, bool load_if_missing) |
| std::string | lib_full_path (Address &address) |
| bool | address_exists_in_cache (Address &addr) |
| bool | level_find (Address &address, core::Size const &level, std::list< PoolData >::iterator &) |
| bool | pool_exists (Address &address) |
| void | round (core::Real &rmsd) |
| void | test_round () |
| void | write_headers_to_hierarchy (core::io::silent::SilentStructOP &ss) |
| void | debug_print_addresses () |
| core::Size | first_zero_pos (Address &address) |
Public Member Functions inherited from protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD | |
| Pool_RMSD (std::string silent_file) | |
| Pool_RMSD () | |
| ~Pool_RMSD () override | |
| core::Size | evaluate (core::pose::Pose const &, std::string &best_decoy, core::Real &best_rmsd) const |
| return position in pool for the best_decoy More... | |
| core::Size | evaluate (core::io::silent::SilentStruct const &, std::string &best_decoy, core::Real &best_rmsd) const |
| virtual core::Size | evaluate_and_add (core::pose::Pose const &pose, std::string &cluster_center, core::Real &best_rmsd, core::Real transition_threshold) |
| core::Size | size () const |
| void | add (core::io::silent::SilentStruct const &, std::string new_tag="keep_silent_tag") |
| void | add (core::pose::Pose const &, std::string new_tag) |
| virtual void | finalize () |
| void | get (core::Size index, ObjexxFCL::FArray2D_double &result) |
| std::string & | get_tag (core::Size index) |
| void | pop_back () |
| void | clear () |
| void | set_reserve_size (int max_size) |
| core::Size | evaluate_and_add (ObjexxFCL::FArray2D_double &coords, std::string &best_decoy, core::Real &best_rmsd, core::Real transition_threshold) |
| core::Size | evaluate (ObjexxFCL::FArray2D_double &, std::string &best_decoy, core::Real &best_rmsd) const |
| core::Size | evaluate (ObjexxFCL::FArray2D_double &, std::string &best_decoy, core::Real &best_rmsd, core::Size index) const |
| void | add (ObjexxFCL::FArray2D_double const &, core::Size nres, std::string new_tag) |
| void | set_excluded_residues (utility::vector1< core::Size > const &excluded_residues) |
Private Member Functions | |
| void | sort_pool (Pool_RMSD_OP &pool_ptr) |
| core::Size | find_address (Address &query, utility::vector1< Address > &addresses) |
| void | string_to_address (std::string &, Address &) |
| void | address_to_string (std::string &, Address &) |
| void | sort_addresses (utility::vector1< Address > &addresses) |
| bool | less_than (Address &addr1, Address &addr2) |
| void | max_level_index (Address &) |
| void | reset (Address &addr, utility::vector1< core::Real > &rms) |
| void | print_address (Address &address) |
| core::Size | num_matching_levels (Address &address1, Address &address2) |
| void | add_elem_to_cache (FArray2D_double &coords, std::string &tag, Address &input_addr) |
| std::list< PoolData >::iterator | find (Address &address) |
| PoolData | load_pool (Address &address) |
Private Attributes | |
| std::list< PoolData > | pool_cache_ |
| core::Size | max_cache_size_ |
| core::Size const | level_ |
| core::Size const | max_levels_ |
| core::Real | radius_ |
| core::Size | num_clusters_in_level_ |
| std::string | filename_ |
| core::Size | next_free_address_index_ |
| HierarchicalLevelOP | next_level_ |
Additional Inherited Members | |
Protected Member Functions inherited from protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD | |
| core::Size | natom () const |
| ObjexxFCL::FArray3D_double const & | coords () const |
| std::string const & | tag (core::Size index) const |
| protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::HierarchicalLevel | ( | core::Size | nlevels, |
| std::string const & | filename | ||
| ) |
| protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::HierarchicalLevel | ( | core::Size | nlevels | ) |
| protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::HierarchicalLevel | ( | core::Size | level, |
| core::Size | max_levels | ||
| ) |
References level_, max_levels_, next_level_, radius_, and protocols::canonical_sampling::mc_convergence_checks::TR().
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| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new | ( | core::io::silent::SilentStruct & | , |
| std::string & | tag, | ||
| Address & | address, | ||
| bool | write_to_file, | ||
| core::Size | new_level | ||
| ) |
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new | ( | core::pose::Pose const & | pose, |
| std::string & | tag, | ||
| Address & | address, | ||
| bool | write_to_file, | ||
| core::Size | new_level | ||
| ) |
Referenced by add_new().
| bool protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new | ( | FArray2D_double & | coord, |
| std::string & | tag, | ||
| Address & | address | ||
| ) |
| bool protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new | ( | FArray2D_double & | coord, |
| std::string & | tag, | ||
| Address & | address, | ||
| bool | resolve_remaining_levels | ||
| ) |
References add_elem_to_cache(), address(), address_exists_in_cache(), find(), has_next_level(), level_, level_find(), next_level_, protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::pool_, pool_cache_, pool_exists(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::tag(), and protocols::canonical_sampling::mc_convergence_checks::TR().
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_to_top_level | ( | FArray2D_double & | coords, |
| std::string & | tag | ||
| ) |
| utility::vector1< core::Size > & protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::address | ( | core::Size | index | ) |
References pool_cache_.
Referenced by add_new(), address_exists_in_cache(), find(), first_zero_pos(), lib_full_path(), load_pool(), pool_exists(), and print_address().
| bool protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::address_exists_in_cache | ( | Address & | addr | ) |
References address(), find(), has_next_level(), level_, next_level_, and pool_cache_.
Referenced by add_new().
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References core::chemical::rings::q.
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::clear | ( | ) |
References pool_cache_.
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_addresses | ( | ) |
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_hierarchy | ( | ) |
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_size_per_level | ( | ) |
| bool protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::equal_addresses | ( | Address & | address1, |
| Address & | address2 | ||
| ) |
Referenced by find(), and find_address().
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate | ( | core::io::silent::SilentStruct const & | , |
| std::string & | best_decoy, | ||
| utility::vector1< core::Real > & | best_rmsd, | ||
| Address & | address | ||
| ) |
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate | ( | core::pose::Pose const & | pose, |
| std::string & | best_decoy, | ||
| utility::vector1< core::Real > & | best_rmsd, | ||
| Address & | address | ||
| ) |
Referenced by evaluate().
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate | ( | FArray2D_double & | coords, |
| std::string & | best_decoy, | ||
| utility::vector1< core::Real > & | best_rmsd, | ||
| Address & | address | ||
| ) |
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate | ( | FArray2D_double & | coords, |
| std::string & | best_decoy, | ||
| utility::vector1< core::Real > & | best_rmsd, | ||
| Address & | address, | ||
| bool | reset_all_levels, | ||
| bool | load_if_missing | ||
| ) |
References protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::coords(), find(), has_next_level(), level_, lib_full_path(), load_pool(), max_cache_size_, max_levels_, next_level_, protocols::canonical_sampling::mc_convergence_checks::PoolData::pool_, protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::pool_, pool_cache_, print_address(), radius_, reset(), round(), and protocols::canonical_sampling::mc_convergence_checks::TR().
| std::string & protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::filename | ( | ) |
References filename_.
Referenced by pool_exists(), and write_headers_to_hierarchy().
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::fill_top_level | ( | Pool_RMSD_OP & | top_level_pool | ) |
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References address(), equal_addresses(), and pool_cache_.
Referenced by add_elem_to_cache(), add_new(), address_exists_in_cache(), evaluate(), and level_find().
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References equal_addresses().
Referenced by sort_pool().
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::first_zero_pos | ( | Address & | address | ) |
References address().
Referenced by level_find().
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::get_addresses_at_level | ( | utility::vector1< Address > & | addresses_at_level | ) |
References pool_cache_.
| bool protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::has_next_level | ( | ) |
References next_level_.
Referenced by add_new(), address_exists_in_cache(), debug_print_addresses(), debug_print_hierarchy(), debug_print_size_per_level(), evaluate(), level_find(), level_radius(), level_size(), max_cache_size(), and max_level_index().
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Referenced by sort_addresses().
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level | ( | ) |
References level_.
Referenced by level_find(), level_radius(), level_size(), and pool_size().
| bool protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level_find | ( | Address & | address, |
| core::Size const & | level, | ||
| std::list< PoolData >::iterator & | itr | ||
| ) |
References find(), first_zero_pos(), has_next_level(), level(), level_, load_pool(), next_level_, pool_cache_, pool_exists(), and protocols::canonical_sampling::mc_convergence_checks::TR().
Referenced by add_new(), and pool_size().
| core::Real protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level_radius | ( | core::Size | level | ) |
References has_next_level(), level(), level_, next_level_, and radius_.
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level_size | ( | core::Size | level | ) |
References has_next_level(), level(), level_, max_levels_, next_level_, and size().
| std::string protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::lib_full_path | ( | Address & | address | ) |
core::Size evaluate( FArray2D_double&, std::string & best_decoy, core::Real & best_rmsd, Address & best_indices, utility::vector1< Address > & prev_address, utility::vector1< core::Size > & prev_indices ); std::list<PoolData> & get_cache(); //for debugging
References address(), and protocols::canonical_sampling::mc_convergence_checks::TR().
Referenced by evaluate(), load_pool(), max_level_index(), pool_exists(), and write_headers_to_hierarchy().
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References address(), lib_full_path(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::Pool_RMSD(), protocols::stepwise::modeler::rna::sleep(), and sort_pool().
Referenced by evaluate(), and level_find().
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::max_cache_size | ( | ) |
References max_cache_size_.
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::max_cache_size | ( | core::Size | max_size | ) |
References has_next_level(), max_cache_size_, and next_level_.
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References has_next_level(), level_, lib_full_path(), max_levels_, next_free_address_index_, and next_level_.
Referenced by write_headers_to_hierarchy().
| HierarchicalLevelOP protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::next_level | ( | ) |
References next_level_.
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::nlevels | ( | ) |
References max_levels_.
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| bool protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::pool_exists | ( | Address & | address | ) |
References address(), filename(), and lib_full_path().
Referenced by add_new(), and level_find().
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::pool_size | ( | Address & | address, |
| core::Size | level | ||
| ) |
References level(), level_find(), and protocols::canonical_sampling::mc_convergence_checks::TR().
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References address(), and protocols::canonical_sampling::mc_convergence_checks::TR().
Referenced by debug_print_hierarchy(), evaluate(), and print_addresses_at_level().
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::print_addresses_at_level | ( | ) |
References pool_cache_, and print_address().
| core::Real protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::radius | ( | ) |
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::radius | ( | core::Real | radius | ) |
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this function not used core::Size HierarchicalLevel::next_free_address( Address & query_address, core::Size level ) { runtime_assert( level != 1 ); core::Size next_index = 0; if( level_ != level && has_next_level() ) { next_index = next_level_->next_free_address( query_address, level ); } else { runtime_assert( level_ == level ); if ( next_free_address_index_ > 0 ) { next_free_address_index_++; next_index = next_free_address_index_; } else { runtime_assert( first_zero_pos( query_address ) == level ); //this level is unresolved Address address = query_address; address[ level_ ] = pool_cache_.size() + 1; for( core::Size ii = level_ + 1; ii <= address.size(); ii++ ) { address[ ii ] = 0; //just to be safe } std::string test_file = lib_full_path( address ); while( utility::file::file_exists( test_file ) ) { address[ level_ ] = address[ level_ ] + 1; test_file = lib_full_path( address ); } next_free_address_index_ = address[ level_ ]; next_index = next_free_address_index_; } } return next_index; }
References core::scoring::rms.
Referenced by evaluate().
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::round | ( | core::Real & | rmsd | ) |
References protocols::hybridization::t, and protocols::canonical_sampling::mc_convergence_checks::TR().
Referenced by evaluate(), and test_round().
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::size | ( | ) |
References pool_cache_.
Referenced by debug_print_hierarchy(), debug_print_size_per_level(), level_size(), and sort_pool().
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References less_than(), and protocols::ddg::min_index().
Referenced by sort_pool().
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References protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::coords(), find_address(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::Pool_RMSD(), size(), sort_addresses(), string_to_address(), and protocols::canonical_sampling::mc_convergence_checks::TR().
Referenced by fill_top_level(), and load_pool().
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Referenced by sort_pool().
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::test_round | ( | ) |
| core::Size protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::top_level_pool_size | ( | ) |
References level_, and pool_cache_.
| void protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::write_headers_to_hierarchy | ( | core::io::silent::SilentStructOP & | ss | ) |
References filename(), lib_full_path(), max_level_index(), and max_levels_.
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Referenced by filename().
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Referenced by add_new(), add_to_top_level(), address_exists_in_cache(), debug_print_addresses(), debug_print_hierarchy(), debug_print_size_per_level(), evaluate(), fill_top_level(), HierarchicalLevel(), level(), level_find(), level_radius(), level_size(), max_level_index(), and top_level_pool_size().
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Referenced by add_elem_to_cache(), evaluate(), and max_cache_size().
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Referenced by evaluate(), HierarchicalLevel(), level_size(), max_level_index(), nlevels(), and write_headers_to_hierarchy().
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Referenced by max_level_index().
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Referenced by HierarchicalLevel().
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std::string lib_full_path(std::string tag_origin );
Referenced by add_elem_to_cache(), add_new(), add_to_top_level(), address(), address_exists_in_cache(), clear(), debug_print_addresses(), debug_print_hierarchy(), debug_print_size_per_level(), evaluate(), fill_top_level(), find(), get_addresses_at_level(), HierarchicalLevel(), level_find(), print_addresses_at_level(), size(), and top_level_pool_size().
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Referenced by evaluate(), HierarchicalLevel(), level_radius(), and radius().