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

#include <AmbiguousConstraint.hh>

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List of all members.

Public Member Functions

 AmbiguousConstraint ()
 Constructor.
 AmbiguousConstraint (ConstraintCOPs &cst_in)
 Constructor.
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
bool operator== (Constraint const &other) const
 possibility to compare constraint according to data and not just pointers
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.
ConstraintCOP active_constraint () 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::AmbiguousConstraint::AmbiguousConstraint ( )
core::scoring::constraints::AmbiguousConstraint::AmbiguousConstraint ( ConstraintCOPs cst_in)

Member Function Documentation

ConstraintCOP core::scoring::constraints::AmbiguousConstraint::active_constraint ( ) const
core::Real core::scoring::constraints::AmbiguousConstraint::calculate_total_cst_score ( EnergyMap const &  weights,
EnergyMap emap 
) const
virtual ConstraintOP core::scoring::constraints::AmbiguousConstraint::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.

Reimplemented in core::scoring::constraints::SiteConstraint, and protocols::constraints_additional::AmbiguousMultiConstraint.

References AmbiguousConstraint().

virtual MultiConstraintOP core::scoring::constraints::AmbiguousConstraint::empty_clone ( ) const [inline, virtual]
void core::scoring::constraints::AmbiguousConstraint::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.

Reimplemented in protocols::constraints_additional::AmbiguousMultiConstraint.

void core::scoring::constraints::AmbiguousConstraint::init_cst_score_types ( )
bool core::scoring::constraints::AmbiguousConstraint::operator== ( Constraint const &  other_cst) const [virtual]

possibility to compare constraint according to data and not just pointers

this function only checks whether the passed in cst is the same type and then hands off to the multi cst. probably overkill to also demand that the active cst is identical

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

void core::scoring::constraints::AmbiguousConstraint::read_def ( std::istream &  data,
pose::Pose const &  pose,
FuncFactory const &  func_factory 
) [virtual]
ConstraintOP core::scoring::constraints::AmbiguousConstraint::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.

Reimplemented in protocols::constraints_additional::AmbiguousMultiConstraint.

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

void core::scoring::constraints::AmbiguousConstraint::score ( XYZ_Func const &  xyz_func,
EnergyMap const &  weights,
EnergyMap emap 
) const [virtual]
void core::scoring::constraints::AmbiguousConstraint::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.

Reimplemented in core::scoring::constraints::SiteConstraint, and protocols::constraints_additional::AmbiguousMultiConstraint.

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

Size core::scoring::constraints::AmbiguousConstraint::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.

Reimplemented in protocols::constraints_additional::AmbiguousMultiConstraint.

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

std::string core::scoring::constraints::AmbiguousConstraint::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.

Reimplemented in core::scoring::constraints::SiteConstraint, and protocols::constraints_additional::AmbiguousMultiConstraint.

Referenced by show_violations().


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