Rosetta 3.4
Public Member Functions | Friends
core::scoring::hbonds::HBondOptions Class Reference

#include <HBondOptions.hh>

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List of all members.

Public Member Functions

 HBondOptions ()
 HBondOptions (std::string params_db_tag)
 ~HBondOptions ()
 HBondOptions (HBondOptions const &src)
 copy constructor
HBondOptions const & operator= (HBondOptions const &src)
 copy operator
bool exclude_self_hbonds () const
 Double counted hbonds include:
void exclude_self_hbonds (bool const setting)
bool exclude_DNA_DNA () const
void exclude_DNA_DNA (bool const setting)
bool include_intra_res_RNA () const
void include_intra_res_RNA (bool const setting)
bool use_hb_env_dep_DNA () const
void use_hb_env_dep_DNA (bool const setting)
bool use_hb_env_dep () const
void use_hb_env_dep (bool const setting)
bool smooth_hb_env_dep () const
void smooth_hb_env_dep (bool const setting)
bool bb_donor_acceptor_check () const
void bb_donor_acceptor_check (bool const setting)
bool decompose_bb_hb_into_pair_energies () const
void decompose_bb_hb_into_pair_energies (bool const setting)
void params_database_tag (std::string const &setting)
std::string const & params_database_tag () const
bool Mbhbond () const
 pba
void Mbhbond (bool const setting)
 pba
bool use_incorrect_deriv () const
void use_incorrect_deriv (bool const setting)
bool use_sp2_chi_penalty () const
void use_sp2_chi_penalty (bool setting)
void show (std::ostream &out) const

Friends

bool operator== (HBondOptions const &a, HBondOptions const &b)
bool operator!= (HBondOptions const &a, HBondOptions const &b)
std::ostream & operator<< (std::ostream &out, const HBondOptions &options)

Constructor & Destructor Documentation

core::scoring::hbonds::HBondOptions::HBondOptions ( )
core::scoring::hbonds::HBondOptions::HBondOptions ( std::string  params_db_tag)
core::scoring::hbonds::HBondOptions::~HBondOptions ( )
core::scoring::hbonds::HBondOptions::HBondOptions ( HBondOptions const &  src)

copy constructor


Member Function Documentation

bool core::scoring::hbonds::HBondOptions::bb_donor_acceptor_check ( ) const
void core::scoring::hbonds::HBondOptions::bb_donor_acceptor_check ( bool const  setting)
bool core::scoring::hbonds::HBondOptions::decompose_bb_hb_into_pair_energies ( ) const
void core::scoring::hbonds::HBondOptions::decompose_bb_hb_into_pair_energies ( bool const  setting)
void core::scoring::hbonds::HBondOptions::exclude_DNA_DNA ( bool const  setting)
bool core::scoring::hbonds::HBondOptions::exclude_DNA_DNA ( ) const
bool core::scoring::hbonds::HBondOptions::exclude_self_hbonds ( ) const

Double counted hbonds include:

  • Hydrogen bonds to self
  • Backbone - sidechain hydrogen bonds where the backbone partner is forming a backbone - backbone hydrogen bond. Turning off this exclusion rule is useful for collecting statistics on hydrogen bond site satisfaction

Referenced by core::scoring::hbonds::fill_hbond_set().

void core::scoring::hbonds::HBondOptions::exclude_self_hbonds ( bool const  setting)
bool core::scoring::hbonds::HBondOptions::include_intra_res_RNA ( ) const
void core::scoring::hbonds::HBondOptions::include_intra_res_RNA ( bool const  setting)
bool core::scoring::hbonds::HBondOptions::Mbhbond ( ) const
void core::scoring::hbonds::HBondOptions::Mbhbond ( bool const  setting)

pba

HBondOptions const & core::scoring::hbonds::HBondOptions::operator= ( HBondOptions const &  src)

copy operator

void core::scoring::hbonds::HBondOptions::params_database_tag ( std::string const &  setting)
std::string const & core::scoring::hbonds::HBondOptions::params_database_tag ( ) const
void core::scoring::hbonds::HBondOptions::show ( std::ostream &  out) const
bool core::scoring::hbonds::HBondOptions::smooth_hb_env_dep ( ) const
void core::scoring::hbonds::HBondOptions::smooth_hb_env_dep ( bool const  setting)
bool core::scoring::hbonds::HBondOptions::use_hb_env_dep ( ) const
void core::scoring::hbonds::HBondOptions::use_hb_env_dep ( bool const  setting)
bool core::scoring::hbonds::HBondOptions::use_hb_env_dep_DNA ( ) const
void core::scoring::hbonds::HBondOptions::use_hb_env_dep_DNA ( bool const  setting)
bool core::scoring::hbonds::HBondOptions::use_incorrect_deriv ( ) const
void core::scoring::hbonds::HBondOptions::use_incorrect_deriv ( bool const  setting)
void core::scoring::hbonds::HBondOptions::use_sp2_chi_penalty ( bool  setting)
bool core::scoring::hbonds::HBondOptions::use_sp2_chi_penalty ( ) const

Friends And Related Function Documentation

bool operator!= ( HBondOptions const &  a,
HBondOptions const &  b 
) [friend]
std::ostream& operator<< ( std::ostream &  out,
const HBondOptions options 
) [friend]
bool operator== ( HBondOptions const &  a,
HBondOptions const &  b 
) [friend]

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