Simulated4PDEERTraceFactory.hh File Reference

#include <core/scoring/epr_deer/Simulated4PDEERTraceFactory.fwd.hh>
#include <core/scoring/epr_deer/Simulated4PDEERTrace.hh>
#include <core/types.hh>
#include <numeric/MathMatrix.hh>
#include <numeric/MathVector.hh>
#include <utility/vector1.hh>
#include <map>
#include <tuple>

Classes
class	core::scoring::epr_deer::Simulated4PDEERTraceFactory

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

Functions
utility::vector1< Real >	core::scoring::epr_deer::add_bckg (utility::vector1< Real > const &sim_trace, utility::vector1< Real > const &time_pts, Real depth, Real slope, Real dim, bool const thru_sigmoid)
	Function for adding non-3D background coupling to DEER trace. More...
void	core::scoring::epr_deer::unpack (void const *data, utility::vector1< Real > &time_pts, utility::vector1< Real > &exp_trace, utility::vector1< Real > &sim_trace)
	Unpacks data passed to lmmin function. More...
void	core::scoring::epr_deer::minimize_sumsq (Real const *par, int m_dat, void const *data, Real *fvec, int *)
	LM function for optimizing non-3D background coupling. More...
void	core::scoring::epr_deer::minimize_sumsq_nodim (Real const *par, int m_dat, void const *data, Real *fvec, int *)
	LM function for optimizing 3D background coupling. More...

Variables
static Real const	core::scoring::epr_deer::mindepth_ = 0.01
	Minimum modulation depth (passed to sigmoid function) More...
static Real const	core::scoring::epr_deer::maxdepth_ = 0.9
	Maximum modulation depth (passed to sigmoid function) More...
static Real const	core::scoring::epr_deer::minslope_ = 0.0
	Minimum background slope (passed to sigmoid function) More...
static Real const	core::scoring::epr_deer::maxslope_ = 1.0
	Maximum background slope (passed to sigmoid function) More...
static Real const	core::scoring::epr_deer::mindim_ = 2.0
	Minimum dimensionality (passed to sigmoid function) More...
static Real const	core::scoring::epr_deer::maxdim_ = 3.5
	Maximum dimensionality (passed to sigmoid function) More...
static Real const	core::scoring::epr_deer::dim3d_ = 0.69314717
	Default dimensionality to yield 3.0 (passed to sigmoid function) More...