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Rosetta 3.5
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Rosetta 3.5
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holds a list of AtomGeometrySecMatchRPEs, that get evaluated in sequence when an instance of this class is asked to evaluate two residues. More...
#include <GeometrySecMatchRPE.hh>
Public Member Functions | |
| GeometrySecMatchRPE (protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo const &mcfi, utility::vector1< core::Size > const &downstream_inds, utility::vector1< core::Size > const &upstream_inds) | |
| convenience constructor from mcfi the downstream_inds and upstream_inds vector must contain atoms D1(U1), D2(U2), and D3(U3), respectively, in that order More... | |
| GeometrySecMatchRPE () | |
| empty constructor More... | |
| virtual bool | evaluate_residues (core::conformation::Residue const &candidate_res, core::conformation::Residue const &target_res) const |
| performs a logical AND for all of the AtomGeometry evaluators. More... | |
| void | add_atomgeom_evaluator (AtomGeometrySecMatchRPECOP evaluator) |
| 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. More... | |
| 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. More... | |
| virtual bool | require_candidate_residue_atoms_to_lie_near_target_atom (Size target_atom_id) const |
| Are there atoms of the candidate residue that must be within some cutoff distance of a given atom on the target residue? Base class implementation returns false. More... | |
| virtual utility::vector1< Size > | candidate_res_atoms_reqd_near_target_atom (Size target_atom_id) const |
| virtual Real | max_separation_dist_to_target_atom (Size target_atom_id) const |
| utility::vector1 < AtomGeometrySecMatchRPECOP > const & | atom_geom_rpes () const |
 Public Member Functions inherited from protocols::match::downstream::SecMatchResiduePairEvaluator | |
| SecMatchResiduePairEvaluator () | |
| virtual | ~SecMatchResiduePairEvaluator () |
Private Attributes | |
| utility::vector1 < AtomGeometrySecMatchRPECOP > | atom_geom_rpes_ |
Additional Inherited Members | |
| Public Types inherited from protocols::match::downstream::SecMatchResiduePairEvaluator | |
| typedef core::Size | Size |
| typedef core::Real | Real |
holds a list of AtomGeometrySecMatchRPEs, that get evaluated in sequence when an instance of this class is asked to evaluate two residues.
| protocols::match::downstream::GeometrySecMatchRPE::GeometrySecMatchRPE | ( | protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo const & | mcfi, |
| utility::vector1< core::Size > const & | downstream_inds, | ||
| utility::vector1< core::Size > const & | upstream_inds | ||
| ) |
convenience constructor from mcfi the downstream_inds and upstream_inds vector must contain atoms D1(U1), D2(U2), and D3(U3), respectively, in that order
References protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::ang_U1D2(), protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::ang_U2D1(), atom_geom_rpes_, protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::dis_U1D1(), protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::tor_U1D3(), protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::tor_U2D2(), and protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::tor_U3D1().
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inline |
empty constructor
| void protocols::match::downstream::GeometrySecMatchRPE::add_atomgeom_evaluator | ( | AtomGeometrySecMatchRPECOP | evaluator) |
References atom_geom_rpes_.
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inline |
References atom_geom_rpes_.
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virtual |
Aggregate the sets of atoms that are required to be near a given target atom from the various AtomGeometry evaluators
Reimplemented from protocols::match::downstream::SecMatchResiduePairEvaluator.
References atom_geom_rpes_.
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virtual |
performs a logical AND for all of the AtomGeometry evaluators.
Implements protocols::match::downstream::SecMatchResiduePairEvaluator.
References atom_geom_rpes_.
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virtual |
Return the shortest of the distance cutoffs from the AtomGeometry that do describe a distance cutoff to a particular target atom.
Reimplemented from protocols::match::downstream::SecMatchResiduePairEvaluator.
References atom_geom_rpes_.
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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.
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virtual |
Are there atoms of the candidate residue that must be within some cutoff distance of a given atom on the target residue? Base class implementation returns false.
Reimplemented from protocols::match::downstream::SecMatchResiduePairEvaluator.
References atom_geom_rpes_.
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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.
References atom_geom_rpes_.
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private |
1.8.4