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protocols::match::downstream::TargetRotamerCoords Class Reference

#include <SecondaryMatcherToUpstreamResidue.hh>

Inheritance diagram for protocols::match::downstream::TargetRotamerCoords:
Inheritance graph
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Public Types

typedef core::Size Size
 
typedef core::Vector Vector
 

Public Member Functions

 TargetRotamerCoords ()
 
 ~TargetRotamerCoords () override
 
void set_num_restypes (core::Size n_restypes)
 
void set_restype (core::Size restype_index, core::chemical::ResidueTypeCOP restype)
 
void set_required_atoms (core::Size restype_index, utility::vector1< bool > const &atom_required)
 
void set_num_target_rotamers (utility::vector1< core::Size > const &n_rotamers_per_target_restype)
 
void set_num_target_rotamers (core::Size target_restype_id, core::Size n_rotamers)
 
void set_coordinates_for_rotamer (core::Size restype_index, core::Size rotamer_index, Hit const &hit, core::conformation::Residue const &rescoords)
 
core::Size n_restypes () const
 
core::chemical::ResidueTypeCOP restype (core::Size restype_index) const
 
core::Size n_rots_total () const
 
core::Size n_rotamers_for_restype (core::Size restype_id) const
 
core::Size n_atoms_for_restype (core::Size restype_id) const
 
Vector const & coord (core::Size restype_index, core::Size rotamer_index, core::Size which_atom) const
 
core::Size restype_atomno (core::Size restype_index, core::Size which_atom) const
 
Hit const & hit (core::Size restype_index, core::Size rotamer_index) const
 
void set_clash_checking (core::Size rotamer_index)
 
bool get_clash_checking (core::Size rotamer_index)
 
void set_coords_for_clash_check (core::Size rotamer_index, utility::vector1< Vector > &coords)
 
utility::vector1< Vectorget_coords_for_clash_check (core::Size rotamer_index)
 
void set_clash_check_types (core::Size n_rotamers)
 
void set_ds_atom_ids_needed (utility::vector1< core::id::AtomID > atom_ids)
 
utility::vector1
< core::id::AtomID
get_ds_atom_ids_needed ()
 

Private Attributes

utility::vector1
< core::chemical::ResidueTypeCOP
target_restypes_
 
utility::vector1
< utility::vector1< core::Size > > 
atom_ids_for_coordinates_
 
utility::vector1
< ObjexxFCL::FArray2D< Vector > > 
coords_
 
core::Size n_rots_total_
 
utility::vector1
< utility::vector1< Hit > > 
hit_data_
 
utility::vector1< boolbuild_coords_for_clash_checking_
 
utility::vector1
< core::id::AtomID
ds_atom_ids_needed_
 
utility::vector1
< utility::vector1< Vector > > 
coords_for_clash_checking_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::match::downstream::TargetRotamerCoords::TargetRotamerCoords ( )
protocols::match::downstream::TargetRotamerCoords::~TargetRotamerCoords ( )
overridedefault

Member Function Documentation

Vector const& protocols::match::downstream::TargetRotamerCoords::coord ( core::Size  restype_index,
core::Size  rotamer_index,
core::Size  which_atom 
) const
inline

References coords_.

bool protocols::match::downstream::TargetRotamerCoords::get_clash_checking ( core::Size  rotamer_index)
inline
utility::vector1< Vector > protocols::match::downstream::TargetRotamerCoords::get_coords_for_clash_check ( core::Size  rotamer_index)
inline
utility::vector1< core::id::AtomID > protocols::match::downstream::TargetRotamerCoords::get_ds_atom_ids_needed ( )
inline

References ds_atom_ids_needed_.

Hit const& protocols::match::downstream::TargetRotamerCoords::hit ( core::Size  restype_index,
core::Size  rotamer_index 
) const
inline

References hit_data_.

Referenced by set_coordinates_for_rotamer().

core::Size protocols::match::downstream::TargetRotamerCoords::n_atoms_for_restype ( core::Size  restype_id) const
inline
core::Size protocols::match::downstream::TargetRotamerCoords::n_restypes ( ) const
inline

References target_restypes_.

core::Size protocols::match::downstream::TargetRotamerCoords::n_rotamers_for_restype ( core::Size  restype_id) const
inline

References coords_.

core::Size protocols::match::downstream::TargetRotamerCoords::n_rots_total ( ) const
inline

References n_rots_total_.

core::chemical::ResidueTypeCOP protocols::match::downstream::TargetRotamerCoords::restype ( core::Size  restype_index) const
inline

References target_restypes_.

Referenced by set_restype().

core::Size protocols::match::downstream::TargetRotamerCoords::restype_atomno ( core::Size  restype_index,
core::Size  which_atom 
) const
inline
void protocols::match::downstream::TargetRotamerCoords::set_clash_check_types ( core::Size  n_rotamers)
inline
void protocols::match::downstream::TargetRotamerCoords::set_clash_checking ( core::Size  rotamer_index)
inline
void protocols::match::downstream::TargetRotamerCoords::set_coordinates_for_rotamer ( core::Size  restype_index,
core::Size  rotamer_index,
Hit const &  hit,
core::conformation::Residue const &  rescoords 
)
void protocols::match::downstream::TargetRotamerCoords::set_coords_for_clash_check ( core::Size  rotamer_index,
utility::vector1< Vector > &  coords 
)
inline
void protocols::match::downstream::TargetRotamerCoords::set_ds_atom_ids_needed ( utility::vector1< core::id::AtomID atom_ids)
inline

References ds_atom_ids_needed_.

void protocols::match::downstream::TargetRotamerCoords::set_num_restypes ( core::Size  n_restypes)
void protocols::match::downstream::TargetRotamerCoords::set_num_target_rotamers ( utility::vector1< core::Size > const &  n_rotamers_per_target_restype)
void protocols::match::downstream::TargetRotamerCoords::set_num_target_rotamers ( core::Size  target_restype_id,
core::Size  n_rotamers 
)
void protocols::match::downstream::TargetRotamerCoords::set_required_atoms ( core::Size  restype_index,
utility::vector1< bool > const &  atom_required 
)
void protocols::match::downstream::TargetRotamerCoords::set_restype ( core::Size  restype_index,
core::chemical::ResidueTypeCOP  restype 
)

References restype(), and target_restypes_.

Member Data Documentation

utility::vector1< utility::vector1< core::Size > > protocols::match::downstream::TargetRotamerCoords::atom_ids_for_coordinates_
private
utility::vector1< bool > protocols::match::downstream::TargetRotamerCoords::build_coords_for_clash_checking_
private
utility::vector1< ObjexxFCL::FArray2D< Vector > > protocols::match::downstream::TargetRotamerCoords::coords_
private
utility::vector1< utility::vector1< Vector > > protocols::match::downstream::TargetRotamerCoords::coords_for_clash_checking_
private
utility::vector1< core::id::AtomID > protocols::match::downstream::TargetRotamerCoords::ds_atom_ids_needed_
private
utility::vector1< utility::vector1< Hit > > protocols::match::downstream::TargetRotamerCoords::hit_data_
private
core::Size protocols::match::downstream::TargetRotamerCoords::n_rots_total_
private
utility::vector1< core::chemical::ResidueTypeCOP > protocols::match::downstream::TargetRotamerCoords::target_restypes_
private

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