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protocols::hbnet::HBondNetStruct Struct Reference

struct that contains info needed for hbond networks More...

#include <HBNet.hh>

Inheritance diagram for protocols::hbnet::HBondNetStruct:
Inheritance graph
[legend]

Public Member Functions

 HBondNetStruct ()
 
 HBondNetStruct (HBondNetStruct const &hbns)
 
 HBondNetStruct (HBondNetStruct &&)=default
 Move constructor (mainly for copy/swap idiom) We're just moving the structure from one address to the other, so a default bitwise copy is appropriate. More...
 
HBondNetStructoperator= (HBondNetStruct &&)=default
 Move assignment operator (mainly for copy/swap idiom) More...
 
HBondNetStructoperator= (HBondNetStruct const &rhs)
 Assigment operator, needed as copy constructor is specified. More...
 
bool operator< (HBondNetStruct const &a) const
 

Public Attributes

bool is_native
 
bool is_extended
 
bool term_w_bb
 
bool term_w_start
 
bool term_w_cycle
 
bool scored
 
bool sort_first_by_tot_unsat
 
bool sort_by_percent_hbond_capacity
 
bool cst_file_written
 
bool network_pdb_written
 
bool pml_file_written
 
std::string outstring
 
core::Size id
 
core::Size total_hbonds
 
core::Size total_polar_atoms
 
core::Size num_intermolecular_hbs
 
core::Size num_unsat_Hpol
 
core::Size num_heavy_unsat
 
core::Size lig_num_unsatisfied
 
core::Size num_core_residues
 
core::Size num_boundary_residues
 
core::Real percent_hbond_capacity
 
core::Real score
 
utility::vector1
< HBondResStructCOP
residues
 
utility::vector1
< HBondResStructCOP
asymm_residues
 
utility::vector1
< core::id::AtomID
unsat_Hpols
 
utility::vector1
< core::id::AtomID
unsat_accs
 
utility::vector1
< core::scoring::hbonds::HBondCOP
hbond_vec
 
core::scoring::hbonds::HBondSetOP hbond_set
 
std::vector< platform::uint > lig_state_list
 
std::vector< core::Sizenet_indices
 
utility::vector1
< core::conformation::ResidueCOP
rotamers
 

Detailed Description

struct that contains info needed for hbond networks

Constructor & Destructor Documentation

protocols::hbnet::HBondNetStruct::HBondNetStruct ( )
inline
protocols::hbnet::HBondNetStruct::HBondNetStruct ( HBondNetStruct const &  hbns)
inline
protocols::hbnet::HBondNetStruct::HBondNetStruct ( HBondNetStruct &&  )
default

Move constructor (mainly for copy/swap idiom) We're just moving the structure from one address to the other, so a default bitwise copy is appropriate.

Member Function Documentation

bool protocols::hbnet::HBondNetStruct::operator< ( HBondNetStruct const &  a) const
inline
HBondNetStruct& protocols::hbnet::HBondNetStruct::operator= ( HBondNetStruct &&  )
default

Move assignment operator (mainly for copy/swap idiom)

HBondNetStruct& protocols::hbnet::HBondNetStruct::operator= ( HBondNetStruct const &  rhs)
inline

Assigment operator, needed as copy constructor is specified.

References core::id::swap().

Member Data Documentation

utility::vector1< HBondResStructCOP > protocols::hbnet::HBondNetStruct::asymm_residues
bool protocols::hbnet::HBondNetStruct::cst_file_written
core::scoring::hbonds::HBondSetOP protocols::hbnet::HBondNetStruct::hbond_set
utility::vector1< core::scoring::hbonds::HBondCOP > protocols::hbnet::HBondNetStruct::hbond_vec
core::Size protocols::hbnet::HBondNetStruct::id
bool protocols::hbnet::HBondNetStruct::is_extended
bool protocols::hbnet::HBondNetStruct::is_native
core::Size protocols::hbnet::HBondNetStruct::lig_num_unsatisfied

Referenced by operator<().

std::vector< platform::uint > protocols::hbnet::HBondNetStruct::lig_state_list
std::vector< core::Size > protocols::hbnet::HBondNetStruct::net_indices
bool protocols::hbnet::HBondNetStruct::network_pdb_written
core::Size protocols::hbnet::HBondNetStruct::num_boundary_residues
core::Size protocols::hbnet::HBondNetStruct::num_core_residues
core::Size protocols::hbnet::HBondNetStruct::num_heavy_unsat
core::Size protocols::hbnet::HBondNetStruct::num_intermolecular_hbs
core::Size protocols::hbnet::HBondNetStruct::num_unsat_Hpol
std::string protocols::hbnet::HBondNetStruct::outstring
core::Real protocols::hbnet::HBondNetStruct::percent_hbond_capacity
bool protocols::hbnet::HBondNetStruct::pml_file_written
utility::vector1< HBondResStructCOP > protocols::hbnet::HBondNetStruct::residues
utility::vector1<core::conformation::ResidueCOP> protocols::hbnet::HBondNetStruct::rotamers
core::Real protocols::hbnet::HBondNetStruct::score
bool protocols::hbnet::HBondNetStruct::scored
bool protocols::hbnet::HBondNetStruct::sort_by_percent_hbond_capacity

Referenced by operator<().

bool protocols::hbnet::HBondNetStruct::sort_first_by_tot_unsat

Referenced by operator<().

bool protocols::hbnet::HBondNetStruct::term_w_bb
bool protocols::hbnet::HBondNetStruct::term_w_cycle
bool protocols::hbnet::HBondNetStruct::term_w_start
core::Size protocols::hbnet::HBondNetStruct::total_hbonds
core::Size protocols::hbnet::HBondNetStruct::total_polar_atoms
utility::vector1<core::id::AtomID> protocols::hbnet::HBondNetStruct::unsat_accs
utility::vector1<core::id::AtomID> protocols::hbnet::HBondNetStruct::unsat_Hpols

The documentation for this struct was generated from the following file: