Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | List of all members
core::scoring::orbitals::OrbitalsAssigned Class Reference

#include <OrbitalsAssigned.hh>

Public Member Functions

utility::vector1
< numeric::xyzVector
< core::Real > > 
get_lp_xyz (core::conformation::Residue const &residue)
 
utility::vector1
< numeric::xyzVector
< core::Real > > 
CoordinatesDihedral (std::string atom1, std::string atom2, std::string atom3, core::Real distance_xa, core::conformation::Residue const &residue)
 
utility::vector1
< numeric::xyzVector
< core::Real > > 
CoordinatesTetrahedral (std::string atom1, std::string atom2, std::string atom3, core::Real distance, core::conformation::Residue const &residue)
 
utility::vector1
< numeric::xyzVector
< core::Real > > 
aromatic_ring_center (numeric::xyzVector< core::Real > vector_d, numeric::xyzVector< core::Real > vector_f, core::conformation::Residue const &residue, core::Real dist)
 
utility::vector1
< numeric::xyzVector
< core::Real > > 
cp_function (std::string atomtype, numeric::xyzVector< core::Real > vector_d, numeric::xyzVector< core::Real > vector_f, core::conformation::Residue const &residue, core::Real dist)
 
utility::vector1< std::pair
< numeric::xyzVector
< core::Real >, std::string > > 
get_hydrogens (core::conformation::Residue const &resid1)
 

Member Function Documentation

utility::vector1< numeric::xyzVector< core::Real > > core::scoring::orbitals::OrbitalsAssigned::aromatic_ring_center ( numeric::xyzVector< core::Real vector_d,
numeric::xyzVector< core::Real vector_f,
core::conformation::Residue const &  residue,
core::Real  dist 
)
utility::vector1< numeric::xyzVector< core::Real > > core::scoring::orbitals::OrbitalsAssigned::CoordinatesDihedral ( std::string  atom1,
std::string  atom2,
std::string  atom3,
core::Real  distance_xa,
core::conformation::Residue const &  residue 
)
utility::vector1< numeric::xyzVector< core::Real > > core::scoring::orbitals::OrbitalsAssigned::CoordinatesTetrahedral ( std::string  atom1,
std::string  atom2,
std::string  atom3,
core::Real  distance,
core::conformation::Residue const &  residue 
)
utility::vector1< numeric::xyzVector< core::Real > > core::scoring::orbitals::OrbitalsAssigned::cp_function ( std::string  atomtype,
numeric::xyzVector< core::Real vector_d,
numeric::xyzVector< core::Real vector_f,
core::conformation::Residue const &  residue,
core::Real  dist 
)
utility::vector1< std::pair< numeric::xyzVector< core::Real >, std::string > > core::scoring::orbitals::OrbitalsAssigned::get_hydrogens ( core::conformation::Residue const &  resid1)
utility::vector1< numeric::xyzVector< core::Real > > core::scoring::orbitals::OrbitalsAssigned::get_lp_xyz ( core::conformation::Residue const &  residue)

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