PREMultiSet.cc File Reference

implementation of class PREMultiSet More...

#include <core/scoring/nmr/pre/PREMultiSet.hh>
#include <core/scoring/nmr/pre/PRESingleSet.hh>
#include <core/scoring/nmr/pre/PRESingle.hh>
#include <core/scoring/nmr/NMRSpinlabel.hh>
#include <core/scoring/nmr/NMRDummySpinlabelEnsemble.hh>
#include <core/scoring/nmr/NMRDummySpinlabelVoxelGrid.hh>
#include <core/scoring/nmr/NMRGridSearch.hh>
#include <core/scoring/nmr/util.hh>
#include <core/io/nmr/ParaIon.hh>
#include <core/io/nmr/ParamagneticDatabaseHandler.hh>
#include <core/io/nmr/util.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/id/AtomID.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/symmetry/SymmetryInfo.hh>
#include <core/conformation/symmetry/SymmetricConformation.hh>
#include <core/pose/symmetry/util.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/nmr.OptionKeys.gen.hh>
#include <utility/exit.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <numeric/constants.hh>
#include <numeric/nls/lmmin.hh>
#include <numeric/random/random.hh>
#include <numeric/xyz.functions.hh>
#include <cmath>
#include <limits>
#include <iostream>
#include <iomanip>
#include <string>
#include <algorithm>
#include <numeric>
#include <boost/algorithm/string.hpp>

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

Functions
static basic::Tracer	core::scoring::nmr::pre::TR ("core.scoring.nmr.pre.PREMultiSet")
void	core::scoring::nmr::pre::pre_erf_opt_tau (Real const *par, int m_dat, void const *data, Real *fvec, int *)
	pre error function used in the lmmin function top optimize More...
void	core::scoring::nmr::pre::pre_erf_opt_tau_xyz (Real const *par, int m_dat, void const *data, Real *fvec, int *)
	pre error function used in the lmmin function to optimize tau and the para ion position More...

Detailed Description

implementation of class PREMultiSet

last Modified: 10/12/16

Author

Georg Kuenze (georg.nosp@m..kue.nosp@m.nze@v.nosp@m.ande.nosp@m.rbilt.nosp@m..edu)