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RNA_CS_MagneticAnisotropy.cc File Reference
#include <core/scoring/rna/chemical_shift/RNA_CS_Util.hh>
#include <core/scoring/rna/chemical_shift/RNA_CS_MagneticAnisotropy.hh>
#include <ObjexxFCL/format.hh>
#include <numeric/xyzMatrix.hh>
#include <math.h>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::rna
 
 core::scoring::rna::chemical_shift
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::rna
 
 core::scoring::rna::chemical_shift
 

Functions

Real core::scoring::rna::chemical_shift::delta_magnetic_anisotropy (numeric::xyzVector< core::Real > const &CS_data_atom_xyz, numeric::xyzVector< core::Real > const &source_atom_xyz, numeric::xyzMatrix< core::Real > const &base_coordinate_matrix, RNA_CS_residue_parameters const &source_rsd_CS_params, Size const realatomdata_index)
 The magnetic_anisotropy contribution of heavy-base atom at src_xyz to the chemqical_shift at CS_data_atom_xyz. More...
 
numeric::xyzVector< core::Realcore::scoring::rna::chemical_shift::get_delta_magnetic_anisotropy_deriv (numeric::xyzVector< core::Real > const &CS_data_atom_xyz, numeric::xyzVector< core::Real > const &source_atom_xyz, numeric::xyzMatrix< core::Real > const &base_coordinate_matrix, RNA_CS_residue_parameters const &source_rsd_CS_params, Size const realatomdata_index)
 
Real core::scoring::rna::chemical_shift::magnetic_anisotropy_effect (numeric::xyzVector< core::Real > const &atom_xyz, conformation::Residue const &source_rsd, RNA_CS_residue_parameters const &source_rsd_CS_params)
 The magnetic_anisotropy contribution of source_rsd to the chemical_shift at atom_xyz. More...