Rosetta 3.4
Public Member Functions
core::scoring::constraints::KofNConstraint Class Reference

#include <KofNConstraint.hh>

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List of all members.

Public Member Functions

 KofNConstraint (core::Size K=0)
 Constructor.
 KofNConstraint (ConstraintCOPs &cst_in, core::Size K=0)
 Constructor.
void setK (core::Size K)
core::Size getK () const
virtual ConstraintOP clone () const
 Copies the data from this Constraint into a new object and returns an OP to the new object. Intended to be implemented by derived classes and used by pose.add_constraint.
virtual MultiConstraintOP empty_clone () const
void init_cst_score_types ()
std::string type () const
 Returns a unique string identified for this constraint. Used in several places, including the ConstraintIO class.
void read_def (std::istream &data, pose::Pose const &pose, FuncFactory const &func_factory)
 read in constraint defiinition
void score (XYZ_Func const &xyz_func, EnergyMap const &weights, EnergyMap &emap) const
 compute score
core::Real calculate_total_cst_score (EnergyMap const &weights, EnergyMap &emap) const
 helper function to accumulate all constraint scores into one number
virtual ConstraintOP remap_resid (core::id::SequenceMapping const &seqmap) const
 apply a resid remapping to this constraint, returns the remapped constraint Does this return an owning pointer to this constraint or a copy? Documentation would be nice.
void fill_f1_f2 (AtomID const &atom, XYZ_Func const &xyz, Vector &F1, Vector &F2, EnergyMap const &weights) const
 compute atom deriv
void show (std::ostream &out) const
 This method is intended to show the value of the Constraint function evaluated over some reasonable range of values. For example, a constraint between pairs of atoms might show the values of the Constraint function between 4 and 12 angstroms.
utility::vector1< ConstraintCOPactive_constraints () const
Size show_violations (std::ostream &out, pose::Pose const &pose, Size verbose_level, Real threshold=1.0) const
 Prints the violations of this constraint to the given std::ostream. What are violations? It's not defined, and it depends on the constraint and the function! also - wtf is threshold? it was defined as a Size in CoordinateConstraint, I don't know which definition is the right one. Documentation would be nice ...

Constructor & Destructor Documentation

core::scoring::constraints::KofNConstraint::KofNConstraint ( core::Size  K = 0)
core::scoring::constraints::KofNConstraint::KofNConstraint ( ConstraintCOPs cst_in,
core::Size  K = 0 
)

Member Function Documentation

utility::vector1< ConstraintCOP > core::scoring::constraints::KofNConstraint::active_constraints ( ) const
core::Real core::scoring::constraints::KofNConstraint::calculate_total_cst_score ( EnergyMap const &  weights,
EnergyMap emap 
) const
virtual ConstraintOP core::scoring::constraints::KofNConstraint::clone ( ) const [inline, virtual]

Copies the data from this Constraint into a new object and returns an OP to the new object. Intended to be implemented by derived classes and used by pose.add_constraint.

Reimplemented from core::scoring::constraints::MultiConstraint.

References KofNConstraint().

virtual MultiConstraintOP core::scoring::constraints::KofNConstraint::empty_clone ( ) const [inline, virtual]
void core::scoring::constraints::KofNConstraint::fill_f1_f2 ( AtomID const &  atom,
XYZ_Func const &  xyz,
Vector F1,
Vector F2,
EnergyMap const &  weights 
) const [virtual]

compute atom deriv

function to minimize lowest scoring member constraint

Reimplemented from core::scoring::constraints::MultiConstraint.

core::Size core::scoring::constraints::KofNConstraint::getK ( ) const [inline]
void core::scoring::constraints::KofNConstraint::init_cst_score_types ( )
void core::scoring::constraints::KofNConstraint::read_def ( std::istream &  data,
pose::Pose const &  pose,
FuncFactory const &  func_factory 
) [virtual]
ConstraintOP core::scoring::constraints::KofNConstraint::remap_resid ( core::id::SequenceMapping const &  ) const [virtual]

apply a resid remapping to this constraint, returns the remapped constraint Does this return an owning pointer to this constraint or a copy? Documentation would be nice.

Reimplemented from core::scoring::constraints::MultiConstraint.

References KofNConstraint(), and core::scoring::constraints::MultiConstraint::member_constraints_.

void core::scoring::constraints::KofNConstraint::score ( XYZ_Func const &  xyz_func,
EnergyMap const &  weights,
EnergyMap emap 
) const [virtual]
void core::scoring::constraints::KofNConstraint::setK ( core::Size  K) [inline]
void core::scoring::constraints::KofNConstraint::show ( std::ostream &  ) const [virtual]

This method is intended to show the value of the Constraint function evaluated over some reasonable range of values. For example, a constraint between pairs of atoms might show the values of the Constraint function between 4 and 12 angstroms.

Reimplemented from core::scoring::constraints::MultiConstraint.

References make_table_of_pilot_apps::begin, and core::scoring::constraints::MultiConstraint::member_constraints().

Size core::scoring::constraints::KofNConstraint::show_violations ( std::ostream &  out,
pose::Pose const &  ,
Size  ,
Real  threshold = 1.0 
) const [virtual]

Prints the violations of this constraint to the given std::ostream. What are violations? It's not defined, and it depends on the constraint and the function! also - wtf is threshold? it was defined as a Size in CoordinateConstraint, I don't know which definition is the right one. Documentation would be nice ...

Reimplemented from core::scoring::constraints::MultiConstraint.

References core::scoring::constraints::MultiConstraint::member_constraints(), and type().

std::string core::scoring::constraints::KofNConstraint::type ( ) const [inline, virtual]

Returns a unique string identified for this constraint. Used in several places, including the ConstraintIO class.

Reimplemented from core::scoring::constraints::MultiConstraint.

Referenced by show_violations().


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