Rosetta  2021.16
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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 <utility/vector1.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)