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Rosetta 3.5
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Rosetta 3.5
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A Constant Constraint. More...
#include <ConstantConstraint.hh>
Public Member Functions | |
| Real | score () const |
| compute score More... | |
| virtual std::string | type () const |
| Returns a unique string identified for this constraint. Used in several places, including the ConstraintIO class. More... | |
| void | score (XYZ_Func const &, EnergyMap const &, EnergyMap &emap) const |
| compute score More... | |
| void | fill_f1_f2 (AtomID const &, XYZ_Func const &, Vector &F1, Vector &F2, EnergyMap const &) const |
| compute atom deriv More... | |
| ConstantConstraint (FuncOP func_in, ScoreType scotype=constant_constraint) | |
| Constructor. More... | |
| ~ConstantConstraint () | |
| Size | natoms () const |
| number of atoms — zero More... | |
| AtomID const & | atom (Size const n) const |
| Returns the AtomID referred to by index. More... | |
| Size | show_violations (std::ostream &, pose::Pose const &, Size, core::Real) const |
| output violation of constraint (none!) More... | |
| 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. More... | |
 Public Member Functions inherited from core::scoring::constraints::Constraint | |
| Constraint (ScoreType const &t) | |
| Constructor for Constraint class. More... | |
| virtual | ~Constraint () |
| Virtual destructor. More... | |
| virtual ConstraintOP | clone () const =0 |
| 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. More... | |
| virtual ConstraintOP | clone (FuncOP) const |
| virtual ConstraintOP | remapped_clone (pose::Pose const &, pose::Pose const &, id::SequenceMappingCOP map=NULL) const |
| Copies the data from this Constraint into a new object and returns an OP atoms are mapped to atoms with the same name in dest pose ( e.g. for switch from centroid to fullatom ) if a sequence_mapping is present it is used to map residue numbers .. NULL = identity mapping to the new object. Intended to be implemented by derived classes. More... | |
| virtual utility::vector1 < core::Size > | residues () const |
| Returns the pose numbers of the residues involved in this constraint, in no particular order. More... | |
| virtual void | read_constraint (std::istream &, core::pose::Pose const &) |
| This method is totally redundant with read_def YAY. More... | |
| ScoreType const & | score_type () const |
| Returns the ScoreType that this Constraint object will use. More... | |
| virtual void | read_data (std::istream &) |
| initialize this Constraint from the given std::istream. It's amazing that there are three functions for doing this inside of Constraint.hh. SO WHAT IS THIS SUPPOSED TO DO ? not overloaded by e.g., AtomPairConstraint or CoordinateConstraint, More... | |
| virtual ConstraintOP | remap_resid (core::id::SequenceMapping const &) 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. More... | |
| virtual core::Real | dist (core::pose::Pose const &) const |
| return the "raw" distance before handed to the FUNC object More... | |
| virtual core::Real | dist (XYZ_Func const &) const |
| virtual void | setup_for_scoring (XYZ_Func const &, ScoreFunction const &) const |
| virtual void | setup_for_derivatives (XYZ_Func const &, ScoreFunction const &) const |
| virtual Real | score (conformation::Conformation const &) const |
| Returns the score of this constraint computed over the given conformation. Not necessarily implemented in all derived classes, as it's redundant with the score( XYZ_Func, EnergyMap, EnergyMap ) method defined above. Returns 0.0 if not implemented. More... | |
| virtual void | show_def (std::ostream &, pose::Pose const &) const |
| Prints the definition of a Constraint to the given std::ostream, using the given Pose, and the given FuncFactory. This method is intended to be overridden by derived classes if they'd like to use the ConstraintIO machinery. It's also not clear why this method takes a Pose, other than to be symmetric with read_def. More... | |
| virtual void | read_def (std::istream &, pose::Pose const &, FuncFactory const &) |
| virtual void | steal_def (pose::Pose const &) |
| std::string | to_string () const |
| Convenience function, returns the results of show() as a string. Not to be overriden by derived classes. More... | |
| virtual Func const & | get_func () const |
| Returns the Func object associated with this Constraint object. More... | |
| virtual bool | operator== (Constraint const &) const |
| possibility to do object comparison instead of pointer comparison More... | |
| bool | operator!= (Constraint const &other) const |
| possibility to do object comparison instead of pointer comparison More... | |
| virtual core::Size | choose_effective_sequence_separation (core::kinematics::ShortestPathInFoldTree const &sp, numeric::random::RandomGenerator &) |
| virtual core::Size | effective_sequence_separation (core::kinematics::ShortestPathInFoldTree const &) const |
Private Attributes | |
| FuncOP | func_ |
Additional Inherited Members | |
| Public Types inherited from core::scoring::constraints::Constraint | |
| typedef id::AtomID | AtomID |
A Constant Constraint.
Definition at line 34 of file ConstantConstraint.hh.
| core::scoring::constraints::ConstantConstraint::ConstantConstraint | ( | FuncOP | func_in, |
| ScoreType | scotype = constant_constraint |
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| ) |
Constructor.
Definition at line 56 of file ConstantConstraint.cc.
| core::scoring::constraints::ConstantConstraint::~ConstantConstraint | ( | ) |
Definition at line 64 of file ConstantConstraint.cc.
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virtual |
Returns the AtomID referred to by index.
Note that this function isn't actually used by the constraint scoring machenery. If you're calling it on a generic Constraint (as opposed to specifically on a derived class) you're probably doing something wrong.
Implements core::scoring::constraints::Constraint.
Definition at line 74 of file ConstantConstraint.cc.
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compute atom deriv
Implements core::scoring::constraints::Constraint.
Definition at line 47 of file ConstantConstraint.cc.
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number of atoms — zero
Implements core::scoring::constraints::Constraint.
Definition at line 68 of file ConstantConstraint.cc.
| Real core::scoring::constraints::ConstantConstraint::score | ( | ) | const |
compute score
Definition at line 30 of file ConstantConstraint.cc.
References func_.
Referenced by score().
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compute score
Implements core::scoring::constraints::Constraint.
Definition at line 40 of file ConstantConstraint.cc.
References score(), and core::scoring::constraints::Constraint::score_type().
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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::Constraint.
Definition at line 84 of file ConstantConstraint.cc.
References func_.
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output violation of constraint (none!)
Reimplemented from core::scoring::constraints::Constraint.
Definition at line 80 of file ConstantConstraint.cc.
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Returns a unique string identified for this constraint. Used in several places, including the ConstraintIO class.
Reimplemented from core::scoring::constraints::Constraint.
Definition at line 34 of file ConstantConstraint.cc.
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private |
Definition at line 82 of file ConstantConstraint.hh.
1.8.4