cartesian_minimize.hh File Reference

#include <core/optimization/types.hh>
#include <core/optimization/NumericalDerivCheckResult.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/optimization/CartesianMinimizerMap.fwd.hh>
#include <core/optimization/CartesianMultifunc.fwd.hh>
#include <boost/tuple/tuple.hpp>

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

Typedefs
typedef boost::tuple< Vector, Vector, Vector, Vector >	core::optimization::VectorQuad

Functions
void	core::optimization::activate_dof_deriv_terms_for_cart_min (pose::Pose &pose, scoring::ScoreFunction const &scorefxn, CartesianMinimizerMap const &min_map)
	Activate DOF-derivative defining terms for stationary residues if the atoms defining the DOFs these terms depend on are moving. More...
void	core::optimization::cartesian_dfunc (pose::Pose &pose, CartesianMinimizerMap &min_map, scoring::ScoreFunction const &scorefxn, Multivec const &vars, Multivec &dE_dvars)
void	core::optimization::cartesian_collect_torsional_deriv (pose::Pose &pose, CartesianMinimizerMap &min_map, core::scoring::ScoreFunction const &scorefxn, Multivec &dE_dvars, core::Real scale)
void	core::optimization::cartesian_collect_atompairE_deriv (pose::Pose &pose, CartesianMinimizerMap &min_map, scoring::ScoreFunction const &scorefxn, Multivec &dE_dvars, core::Real scale)
void	core::optimization::cart_numerical_derivative_check (CartesianMinimizerMap const &min_map, CartesianMultifunc const &func, Multivec const &start_vars, Multivec const &dE_dvars, NumericalDerivCheckResultOP deriv_check_result, bool const verbose)
void	core::optimization::tors_deriv_to_cartesian (Real dE_dtor, VectorQuad const &coords, VectorQuad &dE_dxs)