jump_from_internal_coords.cc File Reference

Utility functions for calculating jumps by knowing desired jump_from_internal_coords measurements. More...

#include <core/kinematics/inverse/jump_from_internal_coords.hh>
#include <core/kinematics/inverse/jump.hh>
#include <core/kinematics/inverse/util.hh>
#include <core/kinematics/inverse/AlignmentAtom.hh>
#include <basic/Tracer.hh>
#include <core/kinematics/AtomPointer.fwd.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/Jump.hh>
#include <core/kinematics/tree/BondedAtom.hh>
#include <numeric/HomogeneousTransform.hh>
#include <numeric/constants.hh>
#include <numeric/conversions.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/xyzVector.hh>
#include <utility/excn/Exceptions.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::kinematics
	core::kinematics::inverse

Functions
static basic::Tracer	core::kinematics::inverse::TR ("core.kinematics.inverse.jump_from_internal_coords")
Jump	core::kinematics::inverse::jump_from_internal_coords (conformation::Conformation const &conf, InternalCoordAtoms const &fixed_atoms, InternalCoordAtoms const &moving_atoms, InternalCoordGeometry geom, Size const jump_id)
	Utility function for calculating jumps by knowing desired internal coordinates of arbitrary atoms. More...
numeric::xyzVector< Real >	core::kinematics::inverse::calc_new_atom_location (numeric::xyzVector< Real > const &greatgrandparent, numeric::xyzVector< Real > const &grandparent, numeric::xyzVector< Real > const &parent, Real const dist, Real const bond_angle, Real const torsion_angle)
	Given internal coordinates and XYZs of the parents, calculate XYZ of a child. More...

Detailed Description

Utility functions for calculating jumps by knowing desired jump_from_internal_coords measurements.

Author

Jack Maguire