Rosetta 3.4
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src/core/scoring/constraints/util.hh File Reference

utility functions for defining constraints. Maybe better placed in src/numeric? More...

#include <core/types.hh>
#include <core/scoring/constraints/Constraint.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/kinematics/ShortestPathInFoldTree.fwd.hh>
#include <utility/vector1.hh>

Namespaces

namespace  core
 

A class for defining atom parameters, known as atom_types.


namespace  core::scoring
namespace  core::scoring::constraints

Functions

Real core::scoring::constraints::logdgaussian_deriv (Real x, Real mean, Real sd, Real)
 Returns the weighted value of a normal distribution evaluated with the given mean, sd, and x values. Returns zero if the weight is less than 1e-10.
Real core::scoring::constraints::logdgaussian (Real x, Real mean, Real sd, Real weight)
 Returns the weighted value of a normal distribution evaluated with the given mean, sd, and x values. Returns zero if the weight is less than 1e-10.
Real core::scoring::constraints::dgaussian (Real x, Real mean, Real sd, Real weight)
 Returns the weighted value of a normal distribution evaluated with the given mean, sd, and x values. Returns zero if the weight is less than 1e-10.
Real core::scoring::constraints::gaussian_deriv (Real x, Real mean, Real sd, Real weight)
 Returns the weighted derivative of a normal distribution evaluated with the given mean, sd, and x values. Returns zero if the weight is less than 1e-10.
Real core::scoring::constraints::dexponential (Real x, Real anchor, Real rate, Real weight)
 Returns the weighted value of an exponential distribution evaluated with the given anchor, rate, and x values. Returns zero if the weight is less than 1e-10.
Real core::scoring::constraints::exponential_deriv (Real x, Real anchor, Real rate, Real weight)
 Returns the weighted derivative of a log-exponential distribution evaluated with the given anchor, rate, and x values. Returns zero if the weight is less than 1e-10.
Real core::scoring::constraints::linear_interpolate (Real const x_val, Real const x1, Real const x2, Real const y1, Real const y2)
 Estimates the y-value of the given x-value by interpolating between the given points (x1,y1) and (x2,y2) by using linear interpolation between the two points.
void core::scoring::constraints::cull_violators (ConstraintCOPs const &target_list, ConstraintCOPs &culled_list, pose::Pose const &filter_pose, core::Real threshold)
std::string core::scoring::constraints::get_cst_file_option ()
void core::scoring::constraints::add_constraints_from_cmdline_to_pose (core::pose::Pose &pose)
void core::scoring::constraints::add_constraints_from_cmdline_to_scorefxn (core::scoring::ScoreFunction &scorefxn_)
void core::scoring::constraints::add_constraints_from_cmdline (core::pose::Pose &pose, core::scoring::ScoreFunction &scorefxn_)
std::string core::scoring::constraints::get_cst_fa_file_option ()
void core::scoring::constraints::add_fa_constraints_from_cmdline_to_pose (core::pose::Pose &pose)
 add constraints if specified by user using the
void core::scoring::constraints::add_fa_constraints_from_cmdline_to_scorefxn (core::scoring::ScoreFunction &scorefxn_)
 add constraints if specified by user.
void core::scoring::constraints::add_fa_constraints_from_cmdline (core::pose::Pose &pose, core::scoring::ScoreFunction &scorefxn_)
 add constraints if specified by user.
void core::scoring::constraints::add_coordinate_constraints (core::pose::Pose &pose)
 handy function for tethering pose to starting coordinates.
void core::scoring::constraints::choose_effective_sequence_separation (core::kinematics::ShortestPathInFoldTree const &sp, ConstraintCOPs &in)
 combine constraints randomly into AmbiguousConstraints N -> 1 this greatly decreases the odds to have a wrong constraint
void core::scoring::constraints::combine_constraints (ConstraintCOPs &in, core::Size combine_ratio, utility::vector1< bool > exclude_res, core::kinematics::ShortestPathInFoldTree const &sp_in)
 combine constraints randomly into AmbiguousConstraints N -> 1 this greatly decreases the odds to have a wrong constraint
void core::scoring::constraints::skip_redundant_constraints (ConstraintCOPs &in, core::Size total_residue, core::Size influence_width=1)
 have at most one constraint per residue pair...

Detailed Description

utility functions for defining constraints. Maybe better placed in src/numeric?

Author:
James Thompson
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