Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
protocols::match::downstream::AtomGeometrySecMatchRPE Class Reference

helper class for GeometrySec abstract base class for distance, angle, and dihedral derived classes More...

#include <GeometrySecMatchRPE.hh>

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List of all members.

Public Types

typedef std::pair< core::Size,
core::Size
SizePair
typedef core::Real Real

Public Member Functions

 AtomGeometrySecMatchRPE (protocols::toolbox::match_enzdes_util::GeomSampleInfo const &gsi)
 ~AtomGeometrySecMatchRPE ()
virtual bool evaluate_residues (core::conformation::Residue const &candidate_res, core::conformation::Residue const &target_res) const =0
 Returns true if the interaction between the two residues satisifies the secondary match requirement. candidate_res: the rotamer of the residue trying to be placed target_res: the previously placed residue.
virtual bool require_all_target_residue_atom_coordinates () const
 Returns true if all coordinates of the target residue are required in order to evaluate the interaction between the candidate and the target residues.
virtual bool require_target_atom_coordinate (Size target_atom_id) const
 If require_all_target_residue_atom_coordinates() returns false, then this method should return true for the atoms on the target residue that the evaluator requires.
bool check_value (core::Real value) const
 determines if the passed in value is between lowval and highval
utility::vector1< SizePair >
const & 
at_inds () const
void add_at_ind (core::Size which_cst_res, core::Size atom_ind_in_res)
core::Real lowval () const
core::Real highval () const
virtual std::string print (core::chemical::ResidueTypeCAP candidate_restype, core::chemical::ResidueTypeCAP target_restype) const =0

Protected Member Functions

void clear_at_inds ()
void set_lowval (core::Real lowval)
void set_highval (core::Real highval)

Detailed Description

helper class for GeometrySec abstract base class for distance, angle, and dihedral derived classes


Member Typedef Documentation


Constructor & Destructor Documentation

protocols::match::downstream::AtomGeometrySecMatchRPE::AtomGeometrySecMatchRPE ( protocols::toolbox::match_enzdes_util::GeomSampleInfo const &  gsi)

References clear_at_inds().

protocols::match::downstream::AtomGeometrySecMatchRPE::~AtomGeometrySecMatchRPE ( )

Member Function Documentation

void protocols::match::downstream::AtomGeometrySecMatchRPE::add_at_ind ( core::Size  which_cst_res,
core::Size  atom_ind_in_res 
)
utility::vector1< SizePair > const& protocols::match::downstream::AtomGeometrySecMatchRPE::at_inds ( ) const [inline]
bool protocols::match::downstream::AtomGeometrySecMatchRPE::check_value ( core::Real  value) const
void protocols::match::downstream::AtomGeometrySecMatchRPE::clear_at_inds ( ) [protected]

Referenced by AtomGeometrySecMatchRPE().

virtual bool protocols::match::downstream::AtomGeometrySecMatchRPE::evaluate_residues ( core::conformation::Residue const &  candidate_res,
core::conformation::Residue const &  target_res 
) const [pure virtual]

Returns true if the interaction between the two residues satisifies the secondary match requirement. candidate_res: the rotamer of the residue trying to be placed target_res: the previously placed residue.

Implements protocols::match::downstream::SecMatchResiduePairEvaluator.

Implemented in protocols::match::downstream::AtomDistanceSecMatchRPE, protocols::match::downstream::AtomAngleSecMatchRPE, and protocols::match::downstream::AtomDihedralSecMatchRPE.

core::Real protocols::match::downstream::AtomGeometrySecMatchRPE::highval ( ) const [inline]
core::Real protocols::match::downstream::AtomGeometrySecMatchRPE::lowval ( ) const [inline]
virtual std::string protocols::match::downstream::AtomGeometrySecMatchRPE::print ( core::chemical::ResidueTypeCAP  candidate_restype,
core::chemical::ResidueTypeCAP  target_restype 
) const [pure virtual]
bool protocols::match::downstream::AtomGeometrySecMatchRPE::require_all_target_residue_atom_coordinates ( ) const [virtual]

Returns true if all coordinates of the target residue are required in order to evaluate the interaction between the candidate and the target residues.

Implements protocols::match::downstream::SecMatchResiduePairEvaluator.

bool protocols::match::downstream::AtomGeometrySecMatchRPE::require_target_atom_coordinate ( Size  target_atom_id) const [virtual]

If require_all_target_residue_atom_coordinates() returns false, then this method should return true for the atoms on the target residue that the evaluator requires.

Implements protocols::match::downstream::SecMatchResiduePairEvaluator.

void protocols::match::downstream::AtomGeometrySecMatchRPE::set_highval ( core::Real  highval) [protected]
void protocols::match::downstream::AtomGeometrySecMatchRPE::set_lowval ( core::Real  lowval) [protected]

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