12 #ifndef IMPSAXS_WEIGHTED_PROFILE_FITTER_H
13 #define IMPSAXS_WEIGHTED_PROFILE_FITTER_H
18 #include <IMP/algebra/eigen3/Eigen/Dense>
20 IMPSAXS_BEGIN_NAMESPACE
44 std::vector<double>& weights,
bool NNLS =
true)
const;
52 float min_c1 = 0.95,
float max_c1 = 1.05,
54 float max_c2 = 4.0)
const;
58 const WeightedFitParameters& fp,
59 const std::string fit_file_name)
const;
62 WeightedFitParameters search_fit_parameters(
63 ProfilesTemp& partial_profiles,
float min_c1,
float max_c1,
float min_c2,
64 float max_c2,
float old_chi, std::vector<double>& weights)
const;
67 IMP_Eigen::MatrixXf W_;
70 IMP_Eigen::VectorXf Wb_;
73 IMP_Eigen::MatrixXf A_;
Basic chi score implementation.
a class for fitting two profiles
Copyright 2007-2014 IMP Inventors. All rights reserved.
Float compute_score(const Profile *model_profile, bool use_offset=false, const std::string fit_file_name="") const
compute fit score
double Float
Basic floating-point value (could be float, double...)
FitParameters fit_profile(Profile *partial_profile, float min_c1=0.95, float max_c1=1.05, float min_c2=-2.0, float max_c2=4.0, bool use_offset=false, const std::string fit_file_name="") const
fit experimental profile through optimization of c1 and c2 parameters