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core::scoring::trie::RotamerTrie< AT, CPDATA > Class Template Reference

#include <RotamerTrie.fwd.hh>

Inheritance diagram for core::scoring::trie::RotamerTrie< AT, CPDATA >:
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Collaboration diagram for core::scoring::trie::RotamerTrie< AT, CPDATA >:
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Public Member Functions

 RotamerTrie (typename utility::vector1< RotamerDescriptor< AT, CPDATA > > &rotamers, Distance const atomic_interaction_cutoff_distance)
 
virtual ~RotamerTrie ()
 
virtual void trie_vs_trie (RotamerTrieBase const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 Four trie-vs-trie type resolution functions. More...
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrieBase const &, TrieCountPairBase &, etable::TableLookupEvaluator const &, ObjexxFCL::FArray2D< core::PackerEnergy > &, ObjexxFCL::FArray2D< core::PackerEnergy > &) const
 
virtual void trie_vs_path (RotamerTrieBase const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 Four trie-vs-path type resolution functions. More...
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &other, TrieCountPairBase &cp, etable::TableLookupEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrieBase const &, TrieCountPairBase &, etable::TableLookupEvaluator const &, utility::vector1< core::PackerEnergy > &, utility::vector1< core::PackerEnergy > &) const
 
virtual void trie_vs_trie (RotamerTrieBase const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrieBase const &, TrieCountPairBase &, etable::AnalyticEtableEvaluator const &, ObjexxFCL::FArray2D< core::PackerEnergy > &, ObjexxFCL::FArray2D< core::PackerEnergy > &) const
 
virtual void trie_vs_path (RotamerTrieBase const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 Four trie-vs-path type resolution functions. More...
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &other, TrieCountPairBase &cp, etable::AnalyticEtableEvaluator const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrieBase const &, TrieCountPairBase &, etable::AnalyticEtableEvaluator const &, utility::vector1< core::PackerEnergy > &, utility::vector1< core::PackerEnergy > &) const
 
virtual void trie_vs_trie (RotamerTrieBase const &other, TrieCountPairBase &cp, hbonds::HBondEnergy const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< hbonds::hbtrie::HBAtom, hbonds::hbtrie::HBCPData > const &other, TrieCountPairBase &cp, hbonds::HBondEnergy const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrieBase const &, TrieCountPairBase &, hbonds::HBondEnergy const &, ObjexxFCL::FArray2D< core::PackerEnergy > &, ObjexxFCL::FArray2D< core::PackerEnergy > &) const
 
virtual void trie_vs_path (RotamerTrieBase const &other, TrieCountPairBase &cp, hbonds::HBondEnergy const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< hbonds::hbtrie::HBAtom, hbonds::hbtrie::HBCPData > const &other, TrieCountPairBase &cp, hbonds::HBondEnergy const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrieBase const &, TrieCountPairBase &, hbonds::HBondEnergy const &, utility::vector1< core::PackerEnergy > &, utility::vector1< core::PackerEnergy > &) const
 
virtual void trie_vs_trie (RotamerTrieBase const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairDataGeneric > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrieBase const &, TrieCountPairBase &, hackelec::HackElecEnergy const &, ObjexxFCL::FArray2D< core::PackerEnergy > &, ObjexxFCL::FArray2D< core::PackerEnergy > &) const
 
virtual void trie_vs_path (RotamerTrieBase const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 Four trie-vs-path type resolution functions. More...
 
virtual void resolve_trie_vs_path (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairDataGeneric > const &other, TrieCountPairBase &cp, hackelec::HackElecEnergy const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrieBase const &, TrieCountPairBase &, hackelec::HackElecEnergy const &, utility::vector1< core::PackerEnergy > &, utility::vector1< core::PackerEnergy > &) const
 
virtual void trie_vs_trie (RotamerTrieBase const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 mm lj inter type resolution functions More...
 
virtual void resolve_trie_vs_trie (RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, ObjexxFCL::FArray2D< core::PackerEnergy > &pair_energy_table, ObjexxFCL::FArray2D< core::PackerEnergy > &temp_table) const
 
virtual void resolve_trie_vs_trie (RotamerTrieBase const &, TrieCountPairBase &, methods::MMLJEnergyInter const &, ObjexxFCL::FArray2D< core::PackerEnergy > &, ObjexxFCL::FArray2D< core::PackerEnergy > &) const
 
virtual void trie_vs_path (RotamerTrieBase const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 Four trie-vs-path type resolution functions. More...
 
virtual void resolve_trie_vs_path (RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_1 > const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_2 > const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_3 > const &other, TrieCountPairBase &cp, methods::MMLJEnergyInter const &sfxn, utility::vector1< core::PackerEnergy > &pair_energy_vector, utility::vector1< core::PackerEnergy > &temp_vector) const
 
virtual void resolve_trie_vs_path (RotamerTrieBase const &, TrieCountPairBase &, methods::MMLJEnergyInter const &, utility::vector1< core::PackerEnergy > &, utility::vector1< core::PackerEnergy > &) const
 
virtual void print () const
 END Type Resolution Functions. More...
 
Size num_heavy_atoms () const
 Accessors. More...
 
Size num_unique_rotamers () const
 
Size max_branch_depth () const
 
Size max_heavyatom_depth () const
 
Size max_atom_depth () const
 
utility::vector1< TrieNode< AT,
CPDATA > > const & 		atoms () const
 
utility::vector1< Size > const & total_rotamers_2_unique_rotamers () const
 
- Public Member Functions inherited from core::scoring::trie::RotamerTrieBase
virtual ~RotamerTrieBase ()
 
void set_resid_2_connection_entry (Size resid, Size connid)
 
bool connection_exists_to_residue (Size resid) const
 
Size connection_id_for_residue (Size resid) const
 
Size get_count_pair_data_for_residue (Size other_residue) const
 
- Public Member Functions inherited from core::conformation::AbstractRotamerTrie
virtual ~AbstractRotamerTrie ()
 

Private Member Functions

void construct_rotamer_trie (typename utility::vector1< RotamerDescriptor< AT, CPDATA > > &rotamers, Distance const interaction_distance)
 
void add_atom_to_trie (Size trie_atom_id, RotamerDescriptorAtom< AT, CPDATA > const &rdatom)
 wow, this function used to be 100 lines long... count pair was such a beast! More...
 
void compute_max_branch_depth ()
 
void calculate_num_rotamers_in_subtree ()
 
void calculate_subtree_containing_radii (Distance const interaction_distance)
 

Private Attributes

utility::vector1< TrieNode< AT,
CPDATA > > 		trie_
 
Size num_total_atoms_
 
Size num_heavyatoms_
 
Size max_atoms_per_rotamer_
 
Size num_unique_rotamers_
 
Size num_total_rotamers_
 
utility::vector1< Size > total_rotamers_2_unique_rotamers_
 
Size max_branch_depth_
 
Size max_heavyatom_depth_
 
Size max_atom_depth_
 

Detailed Description

template<class AT, class CPDATA>
class core::scoring::trie::RotamerTrie< AT, CPDATA >

Definition at line 23 of file RotamerTrie.fwd.hh.

Constructor & Destructor Documentation

template<class AT, class CPDATA>
core::scoring::trie::RotamerTrie< AT, CPDATA >::RotamerTrie ( typename utility::vector1< RotamerDescriptor< AT, CPDATA > > &  rotamers,
Distance const  atomic_interaction_cutoff_distance 
)
inline

Definition at line 157 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie().

template<class AT, class CPDATA>
virtual core::scoring::trie::RotamerTrie< AT, CPDATA >::~RotamerTrie ( )
inlinevirtual

Definition at line 165 of file RotamerTrie.hh.

Member Function Documentation

template<class AT, class CPDATA>
void core::scoring::trie::RotamerTrie< AT, CPDATA >::add_atom_to_trie ( Size  trie_atom_id,
RotamerDescriptorAtom< AT, CPDATA > const &  rdatom 
)
inlineprivate

wow, this function used to be 100 lines long... count pair was such a beast!

Definition at line 1046 of file RotamerTrie.hh.

References core::scoring::trie::RotamerDescriptorAtom< AT, CPDAT >::atom(), core::scoring::trie::RotamerDescriptorAtom< AT, CPDAT >::cp_data(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie().

template<class AT, class CPDATA>
utility::vector1< TrieNode< AT, CPDATA > > const& core::scoring::trie::RotamerTrie< AT, CPDATA >::atoms ( ) const
inline

Definition at line 913 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_.

Referenced by core::scoring::trie::trie_vs_path(), and core::scoring::trie::trie_vs_trie().

template<class AT, class CPDATA>
void core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_num_rotamers_in_subtree ( )
inlineprivate

Definition at line 1096 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atoms_per_rotamer_, core::scoring::trie::RotamerTrie< AT, CPDATA >::max_branch_depth_, core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_atoms_, and core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie().

template<class AT, class CPDATA>
void core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_subtree_containing_radii ( Distance const  interaction_distance)
inlineprivate

Definition at line 1150 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atoms_per_rotamer_, core::scoring::trie::RotamerTrie< AT, CPDATA >::max_branch_depth_, core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_atoms_, and core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie().

template<class AT, class CPDATA>
void core::scoring::trie::RotamerTrie< AT, CPDATA >::compute_max_branch_depth ( )
inlineprivate

Definition at line 1057 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atoms_per_rotamer_, core::scoring::trie::RotamerTrie< AT, CPDATA >::max_branch_depth_, core::scoring::trie::RotamerTrie< AT, CPDATA >::max_heavyatom_depth_, core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_atoms_, and core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie().

template<class AT, class CPDATA>
void core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie ( typename utility::vector1< RotamerDescriptor< AT, CPDATA > > &  rotamers,
Distance const  interaction_distance 
)
inlineprivate

Definition at line 927 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::add_atom_to_trie(), core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_num_rotamers_in_subtree(), core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_subtree_containing_radii(), core::scoring::trie::RotamerTrie< AT, CPDATA >::compute_max_branch_depth(), core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atom_depth_, core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atoms_per_rotamer_, core::scoring::trie::RotamerTrie< AT, CPDATA >::max_heavyatom_depth_, core::scoring::trie::RotamerTrie< AT, CPDATA >::num_heavyatoms_, core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_atoms_, core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_rotamers_, core::scoring::trie::RotamerTrie< AT, CPDATA >::num_unique_rotamers_, core::scoring::trie::RotamerTrie< AT, CPDATA >::total_rotamers_2_unique_rotamers_, and core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::RotamerTrie().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atom_depth ( ) const
inline

Definition at line 910 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atom_depth_.

Referenced by core::scoring::trie::trie_vs_path(), and core::scoring::trie::trie_vs_trie().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::max_branch_depth ( ) const
inline

Definition at line 908 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::max_branch_depth_.

Referenced by core::scoring::trie::trie_vs_path(), and core::scoring::trie::trie_vs_trie().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::max_heavyatom_depth ( ) const
inline

Definition at line 909 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::max_heavyatom_depth_.

Referenced by core::scoring::trie::trie_vs_path(), and core::scoring::trie::trie_vs_trie().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::num_heavy_atoms ( ) const
inline

Accessors.

Definition at line 906 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::num_heavyatoms_.

Referenced by core::scoring::trie::trie_vs_path(), and core::scoring::trie::trie_vs_trie().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::num_unique_rotamers ( ) const
inline

Definition at line 907 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::num_unique_rotamers_.

Referenced by core::scoring::trie::trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::print ( ) const
inlinevirtual

END Type Resolution Functions.

Useful Functions

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 896 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_atoms_, and core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 267 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 280 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 294 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 307 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
etable::TableLookupEvaluator const &  ,
utility::vector1< core::PackerEnergy > &  ,
utility::vector1< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 322 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 432 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 445 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 459 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 472 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
etable::AnalyticEtableEvaluator const &  ,
utility::vector1< core::PackerEnergy > &  ,
utility::vector1< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the coarse etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 488 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< hbonds::hbtrie::HBAtom, hbonds::hbtrie::HBCPData > const &  other,
TrieCountPairBase &  cp,
hbonds::HBondEnergy const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 556 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
hbonds::HBondEnergy const &  ,
utility::vector1< core::PackerEnergy > &  ,
utility::vector1< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when hbond energy function get mixed up with non-hbond tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 571 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 683 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 696 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 710 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairDataGeneric > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 723 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
hackelec::HackElecEnergy const &  ,
utility::vector1< core::PackerEnergy > &  ,
utility::vector1< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 739 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 836 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 849 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 863 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_path ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
methods::MMLJEnergyInter const &  ,
utility::vector1< core::PackerEnergy > &  ,
utility::vector1< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 878 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 184 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 197 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 211 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 224 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
etable::TableLookupEvaluator const &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 239 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 349 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 362 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 376 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< etable::etrie::EtableAtom, etable::etrie::CountPairDataGeneric > const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 389 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
etable::AnalyticEtableEvaluator const &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the coarse etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 405 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< hbonds::hbtrie::HBAtom, hbonds::hbtrie::HBCPData > const &  other,
TrieCountPairBase &  cp,
hbonds::HBondEnergy const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 515 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
hbonds::HBondEnergy const &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when hbond energy function get mixed up with non-hbond tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 530 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 599 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 612 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 626 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< hackelec::ElecAtom, etable::etrie::CountPairDataGeneric > const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 639 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
hackelec::HackElecEnergy const &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 655 of file RotamerTrie.hh.

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_1 > const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 766 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_2 > const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 779 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrie< mm::mmtrie::MMEnergyTableAtom, etable::etrie::CountPairData_1_3 > const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 793 of file RotamerTrie.hh.

References core::scoring::trie::TrieCountPairBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::resolve_trie_vs_trie ( RotamerTrieBase const &  ,
TrieCountPairBase &  ,
methods::MMLJEnergyInter const &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &  ,
ObjexxFCL::FArray2D< core::PackerEnergy > &   
) const
inlinevirtual

This function is called when the etable energy function get mixed up with non-etable tries. It produces a utility_exit call.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 808 of file RotamerTrie.hh.

template<class AT, class CPDATA>
utility::vector1< Size > const& core::scoring::trie::RotamerTrie< AT, CPDATA >::total_rotamers_2_unique_rotamers ( ) const
inline

Definition at line 919 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrie< AT, CPDATA >::total_rotamers_2_unique_rotamers_.

Referenced by core::scoring::trie::trie_vs_path(), and core::scoring::trie::trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_path ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Four trie-vs-path type resolution functions.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 254 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_path ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Four trie-vs-path type resolution functions.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 419 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_path ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
hbonds::HBondEnergy const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 543 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_path ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Four trie-vs-path type resolution functions.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 670 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_path ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
utility::vector1< core::PackerEnergy > &  pair_energy_vector,
utility::vector1< core::PackerEnergy > &  temp_vector 
) const
inlinevirtual

Four trie-vs-path type resolution functions.

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 823 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_path().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_trie ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
etable::TableLookupEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Four trie-vs-trie type resolution functions.

Type Resolution Functions

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 171 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_trie ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
etable::AnalyticEtableEvaluator const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 336 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_trie ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
hbonds::HBondEnergy const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 502 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_trie ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
hackelec::HackElecEnergy const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

Hack Elec E ////////////////////// Four trie-vs-trie type resolution functions

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 586 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_trie().

template<class AT, class CPDATA>
virtual void core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_vs_trie ( RotamerTrieBase const &  other,
TrieCountPairBase &  cp,
methods::MMLJEnergyInter const &  sfxn,
ObjexxFCL::FArray2D< core::PackerEnergy > &  pair_energy_table,
ObjexxFCL::FArray2D< core::PackerEnergy > &  temp_table 
) const
inlinevirtual

mm lj inter type resolution functions

Implements core::scoring::trie::RotamerTrieBase.

Definition at line 753 of file RotamerTrie.hh.

References core::scoring::trie::RotamerTrieBase::resolve_trie_vs_trie().

Member Data Documentation

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atom_depth_
private

Definition at line 1229 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atom_depth().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::max_atoms_per_rotamer_
private

Definition at line 1221 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_num_rotamers_in_subtree(), core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_subtree_containing_radii(), core::scoring::trie::RotamerTrie< AT, CPDATA >::compute_max_branch_depth(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::max_branch_depth_
private

Definition at line 1227 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_num_rotamers_in_subtree(), core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_subtree_containing_radii(), core::scoring::trie::RotamerTrie< AT, CPDATA >::compute_max_branch_depth(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::max_branch_depth().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::max_heavyatom_depth_
private

Definition at line 1228 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::compute_max_branch_depth(), core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::max_heavyatom_depth().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::num_heavyatoms_
private

Definition at line 1220 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::num_heavy_atoms().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_atoms_
private

Definition at line 1219 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_num_rotamers_in_subtree(), core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_subtree_containing_radii(), core::scoring::trie::RotamerTrie< AT, CPDATA >::compute_max_branch_depth(), core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::print().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::num_total_rotamers_
private

Definition at line 1224 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie().

template<class AT, class CPDATA>
Size core::scoring::trie::RotamerTrie< AT, CPDATA >::num_unique_rotamers_
private

Definition at line 1223 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::num_unique_rotamers().

template<class AT, class CPDATA>
utility::vector1< Size > core::scoring::trie::RotamerTrie< AT, CPDATA >::total_rotamers_2_unique_rotamers_
private

Definition at line 1225 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::total_rotamers_2_unique_rotamers().

template<class AT, class CPDATA>
utility::vector1< TrieNode< AT, CPDATA > > core::scoring::trie::RotamerTrie< AT, CPDATA >::trie_
private

Definition at line 1218 of file RotamerTrie.hh.

Referenced by core::scoring::trie::RotamerTrie< AT, CPDATA >::add_atom_to_trie(), core::scoring::trie::RotamerTrie< AT, CPDATA >::atoms(), core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_num_rotamers_in_subtree(), core::scoring::trie::RotamerTrie< AT, CPDATA >::calculate_subtree_containing_radii(), core::scoring::trie::RotamerTrie< AT, CPDATA >::compute_max_branch_depth(), core::scoring::trie::RotamerTrie< AT, CPDATA >::construct_rotamer_trie(), and core::scoring::trie::RotamerTrie< AT, CPDATA >::print().

The documentation for this class was generated from the following files:
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