Rosetta 3.4
Public Member Functions
protocols::scoring::InterfaceInfo Class Reference

Keep track of the interface information. More...

#include <InterfaceInfo.hh>

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List of all members.

Public Member Functions

 InterfaceInfo ()
 Default constructor with rb jump = 1.
 InterfaceInfo (core::Size rb_jump_in)
 Constructor with arguments for non-default rb jump.
 InterfaceInfo (utility::vector1_size rb_jump_in)
 Constructor with arguments for multiple jumps.
 InterfaceInfo (InterfaceInfo const &src)
basic::datacache::CacheableDataOP clone () const
void clear_jumps ()
 Removes all jumps from the interface calculation.
void add_jump (core::Size jump_in)
 Adds another jump to the interface calculation, for example for multi-body docking.
void distance (core::Real distance_in)
 Sets the distance cutoff for interface calculations.
bool calculated () const
 Returns if interface calculation is up to date.
boolcalculated ()
 Returns if interface calculation is up to date.
core::Size num_jump () const
 Returns the number of jumps that are being used in interface calculations.
void initialize ()
 Sets up InterfaceInfo members such as interface_list_ based on variables from construction.
bool is_interface (core::conformation::Residue rsd) const
 Returns whether a residue is at any of the interfaces.
bool is_pair (core::conformation::Residue rsd1, core::conformation::Residue rsd2) const
 Returns whether the two residues are considered a residue pair at any of the interfaces.
core::Size interface_nres (core::Size jump_num) const
 Returns the number of resides at the interface defined by jump_num.
void calculate (core::pose::Pose const &pose)
 Calculates the interface for all jumps specified in rb_jump_.
core::Size closest_interface_residue (core::pose::Pose const &pose, core::Size src_rsd, core::Real &distance) const

Detailed Description

Keep track of the interface information.


Constructor & Destructor Documentation

protocols::scoring::InterfaceInfo::InterfaceInfo ( ) [inline]

Default constructor with rb jump = 1.

Referenced by clone().

protocols::scoring::InterfaceInfo::InterfaceInfo ( core::Size  rb_jump_in) [inline]

Constructor with arguments for non-default rb jump.

protocols::scoring::InterfaceInfo::InterfaceInfo ( utility::vector1_size  rb_jump_in) [inline]

Constructor with arguments for multiple jumps.

protocols::scoring::InterfaceInfo::InterfaceInfo ( InterfaceInfo const &  src)

Member Function Documentation

void protocols::scoring::InterfaceInfo::add_jump ( core::Size  jump_in) [inline]

Adds another jump to the interface calculation, for example for multi-body docking.

void protocols::scoring::InterfaceInfo::calculate ( core::pose::Pose const &  pose)

Calculates the interface for all jumps specified in rb_jump_.

Referenced by protocols::scoring::InterchainPotential::compute_interface().

bool protocols::scoring::InterfaceInfo::calculated ( ) const [inline]
bool& protocols::scoring::InterfaceInfo::calculated ( ) [inline]

Returns if interface calculation is up to date.

void protocols::scoring::InterfaceInfo::clear_jumps ( ) [inline]

Removes all jumps from the interface calculation.

basic::datacache::CacheableDataOP protocols::scoring::InterfaceInfo::clone ( ) const [inline]

References InterfaceInfo().

core::Size protocols::scoring::InterfaceInfo::closest_interface_residue ( core::pose::Pose const &  pose,
core::Size  src_rsd,
core::Real distance 
) const
void protocols::scoring::InterfaceInfo::distance ( core::Real  distance_in) [inline]

Sets the distance cutoff for interface calculations.

void protocols::scoring::InterfaceInfo::initialize ( )

Sets up InterfaceInfo members such as interface_list_ based on variables from construction.

Referenced by protocols::scoring::InterchainPotential::compute_interface().

core::Size protocols::scoring::InterfaceInfo::interface_nres ( core::Size  jump_num) const

Returns the number of resides at the interface defined by jump_num.

Referenced by protocols::scoring::InterchainPotential::evaluate_contact_score().

bool protocols::scoring::InterfaceInfo::is_interface ( core::conformation::Residue  rsd) const

Returns whether a residue is at any of the interfaces.

Referenced by protocols::scoring::InterchainPotential::evaluate_env_score().

bool protocols::scoring::InterfaceInfo::is_pair ( core::conformation::Residue  rsd1,
core::conformation::Residue  rsd2 
) const

Returns whether the two residues are considered a residue pair at any of the interfaces.

Referenced by protocols::scoring::InterchainPotential::evaluate_pair_and_vdw_score().

core::Size protocols::scoring::InterfaceInfo::num_jump ( ) const [inline]

Returns the number of jumps that are being used in interface calculations.

Referenced by protocols::scoring::InterchainPotential::evaluate_contact_score().


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