Rosetta  2021.16
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Namespaces | Functions
rms_util.tmpl.hh File Reference
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/rms_util.hh>
#include <core/id/SequenceMapping.hh>
#include <core/conformation/symmetry/SymmetricConformation.hh>
#include <core/conformation/symmetry/SymmetryInfo.hh>
#include <numeric/model_quality/rms.hh>
#include <numeric/xyzVector.hh>
#include <utility/vector1.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/FArray1A.hh>
#include <ObjexxFCL/FArray2A.hh>
#include <list>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::scoring
 

Functions

template<class T >
core::Real core::scoring::rmsd_with_super (core::pose::Pose const &pose1, core::pose::Pose const &pose2, utility::vector1< core::Size > const &pose1_residues, utility::vector1< core::Size > const &pose2_residues, T *predicate)
 Select atoms for RMS via a predicate function/functor. More...
 
template<class T >
core::Real core::scoring::rmsd_with_super (core::pose::Pose const &pose1, core::pose::Pose const &pose2, std::list< core::Size > const &subset_residues, T *predicate)
 
template<class T >
core::Real core::scoring::rmsd_with_super (core::pose::Pose const &pose1, core::pose::Pose const &pose2, T *predicate)
 Select atoms for RMS via a predicate function/functor. More...
 
template<class T >
core::Real core::scoring::rmsd_with_super_subset (core::pose::Pose const &pose1, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &subset, T *predicate)
 Select a subset atoms for RMS via a predicate function/functor. More...
 
template<class T >
core::Real core::scoring::rmsd_with_super_subset (core::pose::Pose const &pose1, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &subset, core::id::SequenceMapping const &seqmap, T *predicate)
 like function above, but uses sequence mapping, i.e. sections of poses of different lengths can be compared at the moment sorta assumes that residues at corresponding positions have the same identity, mainly becaue the predicates are structured that way... More...
 
template<class T >
core::Real core::scoring::rmsd_no_super (core::pose::Pose const &pose1, core::pose::Pose const &pose2, utility::vector1< core::Size > const &pose1_residues, utility::vector1< core::Size > const &pose2_residues, T *predicate)
 Select atoms for RMS via a predicate function/functor at given residues. More...
 
template<class T >
core::Real core::scoring::rmsd_no_super (core::pose::Pose const &pose1, core::pose::Pose const &pose2, T *predicate)
 Select atoms for RMS via a predicate function/functor. More...
 
template<class T >
core::Real core::scoring::rmsd_no_super (core::conformation::ResidueCOPs const &residues1, core::conformation::ResidueCOPs const &residues2, T *predicate)
 
template<class T >
core::Real core::scoring::rmsd_no_super_subset (core::pose::Pose const &pose1, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &subset, T *predicate)
 Select atoms for RMS via a predicate function/functor. More...
 
template<class T >
core::Real core::scoring::rmsd_no_super_subset (core::pose::Pose const &pose1, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &subset, core::id::SequenceMapping const &seqmap, T *predicate)
 like function above, but uses sequence mapping, i.e. sections of poses of different lengths can be compared at the moment sorta assumes that residues at corresponding positions have the same identity, mainly becaue the predicates are structured that way... More...
 
template<class T >
core::Real core::scoring::biggest_residue_deviation_no_super (core::pose::Pose const &pose1, core::pose::Pose const &pose2, T *predicate)
 function to return the biggest deviation between an atom in a pair of poses, More...
 
template<class T >
core::Real core::scoring::biggest_residue_deviation_no_super_subset (core::pose::Pose const &pose1, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &subset, T *predicate)
 function to return the biggest deviation between an atom in a pair of poses, More...
 
template<class T >
void core::scoring::fill_rmsd_coordinates (int &natoms, ObjexxFCL::FArray2D< core::Real > &p1a, ObjexxFCL::FArray2D< core::Real > &p2a, core::pose::Pose const &pose1, core::pose::Pose const &pose2, T *predicate)
 
template<class T >
core::Real core::scoring::sym_rmsd_with_super_subset (core::pose::Pose const &native_pose, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &subset, T *predicate)
 Select a subset atoms for Symmetric RMS via a predicate function/functor. Example of use, to calculate C-alpha RMSD: rmsd_with_super(pose1, pose2, is_protein_CA, subset);. More...