Rosetta Protocols  2014.35
Public Member Functions | Static Public Member Functions | Private Member Functions | Static Private Member Functions | Private Attributes | Static Private Attributes | List of all members
protocols::scoring::InterchainPotential Class Reference

#include <InterchainPotential.hh>

Public Member Functions

void compute_interface (core::pose::Pose &pose) const
 
void finalize (core::pose::Pose &pose) const
 
void evaluate_env_score (core::pose::Pose const &pose, core::conformation::Residue const &rsd, core::Real &env_score) const
 
void evaluate_contact_score (core::pose::Pose const &pose, core::Real &contact_score) const
 
void evaluate_pair_and_vdw_score (core::pose::Pose const &pose, core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2, core::Real &pair_score, core::Real &vdw_score) const
 
InterfaceInfo const & interface_from_pose (core::pose::Pose const &) const
 
InterfaceInfononconst_interface_from_pose (core::pose::Pose &) const
 
- Public Member Functions inherited from core::scoring::EnvPairPotential
 EnvPairPotential ()
 
void compute_centroid_environment (pose::Pose &pose) const
 
void finalize (pose::Pose &pose) const
 
void evaluate_env_and_cbeta_scores (pose::Pose const &pose, conformation::Residue const &rsd, Real &env_score, Real &cb_score6, Real &cb_score12) const
 
void evaluate_pair_and_cenpack_score (conformation::Residue const &rsd1, conformation::Residue const &rsd2, Real const cendist, Real &pair_contribution, Real &cenpack_contribution) const
 

Static Public Member Functions

static InterchainPotentialget_instance ()
 static function to get the instance of ( pointer to) this singleton class More...
 

Private Member Functions

 InterchainPotential ()
 
 InterchainPotential (InterchainPotential const &src)
 
InterchainPotentialoperator= (InterchainPotential const &rhs)
 

Static Private Member Functions

static InterchainPotentialcreate_singleton_instance ()
 private singleton creation function to be used with utility::thread::threadsafe_singleton More...
 

Private Attributes

core::scoring::AtomVDW const & atom_vdw_
 
ObjexxFCL::FArray2D< core::Realinterchain_env_log_
 
ObjexxFCL::FArray2D< core::Realinterchain_pair_log_
 

Static Private Attributes

static InterchainPotentialinstance_
 

Additional Inherited Members

- Protected Member Functions inherited from core::scoring::EnvPairPotential
CenListInfo const & cenlist_from_pose (pose::Pose const &) const
 
CenListInfononconst_cenlist_from_pose (pose::Pose &) const
 
- Protected Attributes inherited from core::scoring::EnvPairPotential
Real const cen_dist_cutoff2
 

Constructor & Destructor Documentation

protocols::scoring::InterchainPotential::InterchainPotential ( )
private
protocols::scoring::InterchainPotential::InterchainPotential ( InterchainPotential const &  src)
private

Member Function Documentation

void protocols::scoring::InterchainPotential::compute_interface ( core::pose::Pose pose) const
InterchainPotential * protocols::scoring::InterchainPotential::create_singleton_instance ( )
staticprivate

private singleton creation function to be used with utility::thread::threadsafe_singleton

References InterchainPotential().

Referenced by get_instance().

void protocols::scoring::InterchainPotential::evaluate_contact_score ( core::pose::Pose const &  pose,
core::Real contact_score 
) const
void protocols::scoring::InterchainPotential::evaluate_env_score ( core::pose::Pose const &  pose,
core::conformation::Residue const &  rsd,
core::Real env_score 
) const
void protocols::scoring::InterchainPotential::evaluate_pair_and_vdw_score ( core::pose::Pose const &  pose,
core::conformation::Residue const &  rsd1,
core::conformation::Residue const &  rsd2,
core::Real pair_score,
core::Real vdw_score 
) const
void protocols::scoring::InterchainPotential::finalize ( core::pose::Pose pose) const
InterchainPotential * protocols::scoring::InterchainPotential::get_instance ( )
static

static function to get the instance of ( pointer to) this singleton class

References create_singleton_instance(), instance_, and utility::thread::safely_create_singleton().

InterfaceInfo const & protocols::scoring::InterchainPotential::interface_from_pose ( core::pose::Pose const &  pose) const
InterfaceInfo & protocols::scoring::InterchainPotential::nonconst_interface_from_pose ( core::pose::Pose pose) const

Either returns a non-const reference to the Interface object that already exists in the pose, or creates a new Interface object, places it in the pose, and then returns a non-const reference to it

References core::pose::Pose::data(), basic::datacache::BasicDataCache::get_ptr(), basic::datacache::BasicDataCache::has(), core::pose::datacache::CacheableDataType::INTERFACE_INFO, and basic::datacache::BasicDataCache::set().

Referenced by compute_interface(), and finalize().

InterchainPotential& protocols::scoring::InterchainPotential::operator= ( InterchainPotential const &  rhs)
private

Member Data Documentation

core::scoring::AtomVDW const& protocols::scoring::InterchainPotential::atom_vdw_
private
InterchainPotential * protocols::scoring::InterchainPotential::instance_
staticprivate

Referenced by get_instance().

ObjexxFCL::FArray2D< core::Real > protocols::scoring::InterchainPotential::interchain_env_log_
private
ObjexxFCL::FArray2D< core::Real > protocols::scoring::InterchainPotential::interchain_pair_log_
private

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