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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< HBondResStructCOPresidues
 
utility::vector1< HBondResStructCOPasymm_residues
 
utility::vector1< core::id::AtomIDunsat_Hpols
 
utility::vector1< core::id::AtomIDunsat_accs
 
utility::vector1< core::scoring::hbonds::HBondCOPhbond_vec
 
core::scoring::hbonds::HBondSetOP hbond_set
 
std::vector< platform::uint > lig_state_list
 
std::vector< core::Sizenet_indices
 
utility::vector1< core::conformation::ResidueCOProtamers
 

Detailed Description

struct that contains info needed for hbond networks

Constructor & Destructor Documentation

◆ HBondNetStruct() [1/3]

protocols::hbnet::HBondNetStruct::HBondNetStruct ( )
inline

◆ HBondNetStruct() [2/3]

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

◆ HBondNetStruct() [3/3]

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

◆ operator<()

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

◆ operator=() [1/2]

HBondNetStruct& protocols::hbnet::HBondNetStruct::operator= ( HBondNetStruct &&  )
default

Move assignment operator (mainly for copy/swap idiom)

◆ operator=() [2/2]

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

Assigment operator, needed as copy constructor is specified.

References core::id::swap().

Member Data Documentation

◆ asymm_residues

utility::vector1< HBondResStructCOP > protocols::hbnet::HBondNetStruct::asymm_residues

◆ cst_file_written

bool protocols::hbnet::HBondNetStruct::cst_file_written

◆ hbond_set

core::scoring::hbonds::HBondSetOP protocols::hbnet::HBondNetStruct::hbond_set

◆ hbond_vec

utility::vector1< core::scoring::hbonds::HBondCOP > protocols::hbnet::HBondNetStruct::hbond_vec

◆ id

core::Size protocols::hbnet::HBondNetStruct::id

◆ is_extended

bool protocols::hbnet::HBondNetStruct::is_extended

◆ is_native

bool protocols::hbnet::HBondNetStruct::is_native

◆ lig_num_unsatisfied

core::Size protocols::hbnet::HBondNetStruct::lig_num_unsatisfied

Referenced by operator<().

◆ lig_state_list

std::vector< platform::uint > protocols::hbnet::HBondNetStruct::lig_state_list

◆ net_indices

std::vector< core::Size > protocols::hbnet::HBondNetStruct::net_indices

◆ network_pdb_written

bool protocols::hbnet::HBondNetStruct::network_pdb_written

◆ num_boundary_residues

core::Size protocols::hbnet::HBondNetStruct::num_boundary_residues

◆ num_core_residues

core::Size protocols::hbnet::HBondNetStruct::num_core_residues

◆ num_heavy_unsat

core::Size protocols::hbnet::HBondNetStruct::num_heavy_unsat

◆ num_intermolecular_hbs

core::Size protocols::hbnet::HBondNetStruct::num_intermolecular_hbs

◆ num_unsat_Hpol

core::Size protocols::hbnet::HBondNetStruct::num_unsat_Hpol

◆ outstring

std::string protocols::hbnet::HBondNetStruct::outstring

◆ percent_hbond_capacity

core::Real protocols::hbnet::HBondNetStruct::percent_hbond_capacity

◆ pml_file_written

bool protocols::hbnet::HBondNetStruct::pml_file_written

◆ residues

utility::vector1< HBondResStructCOP > protocols::hbnet::HBondNetStruct::residues

◆ rotamers

utility::vector1<core::conformation::ResidueCOP> protocols::hbnet::HBondNetStruct::rotamers

◆ score

core::Real protocols::hbnet::HBondNetStruct::score

◆ scored

bool protocols::hbnet::HBondNetStruct::scored

◆ sort_by_percent_hbond_capacity

bool protocols::hbnet::HBondNetStruct::sort_by_percent_hbond_capacity

Referenced by operator<().

◆ sort_first_by_tot_unsat

bool protocols::hbnet::HBondNetStruct::sort_first_by_tot_unsat

Referenced by operator<().

◆ term_w_bb

bool protocols::hbnet::HBondNetStruct::term_w_bb

◆ term_w_cycle

bool protocols::hbnet::HBondNetStruct::term_w_cycle

◆ term_w_start

bool protocols::hbnet::HBondNetStruct::term_w_start

◆ total_hbonds

core::Size protocols::hbnet::HBondNetStruct::total_hbonds

◆ total_polar_atoms

core::Size protocols::hbnet::HBondNetStruct::total_polar_atoms

◆ unsat_accs

utility::vector1<core::id::AtomID> protocols::hbnet::HBondNetStruct::unsat_accs

◆ unsat_Hpols

utility::vector1<core::id::AtomID> protocols::hbnet::HBondNetStruct::unsat_Hpols

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