8 #ifndef IMPSAXS_FIT_PARAMETERS_H
9 #define IMPSAXS_FIT_PARAMETERS_H
10 #include <IMP/saxs/saxs_config.h>
13 IMPSAXS_BEGIN_NAMESPACE
19 : chi_(0.0), c1_(0.0), c2_(0.0), c_(0.0), o_(0.0), default_chi_(0.0) {}
20 FitParameters(
double chi,
double c1,
double c2,
double c,
double o)
21 : chi_(chi), c1_(c1), c2_(c2), c_(c), o_(o), default_chi_(0.0) {}
23 : chi_(chi), c1_(c1), c2_(c2), c_(0.0), o_(0.0), default_chi_(0.0) {}
25 double get_score()
const {
return chi_; }
26 double get_chi()
const {
return chi_; }
27 double get_c1()
const {
return c1_; }
28 double get_c2()
const {
return c2_; }
29 double get_scale()
const {
return c_; }
30 double get_offset()
const {
return o_; }
31 double get_default_chi()
const {
return default_chi_; }
32 std::string get_pdb_file_name()
const {
return pdb_file_name_; }
33 std::string get_profile_file_name()
const {
return profile_file_name_; }
34 int get_mol_index()
const {
return mol_index_; }
36 void set_chi(
double chi) { chi_ = chi; }
37 void set_default_chi(
double chi) { default_chi_ = chi; }
38 void set_profile_file_name(std::string file_name) {
39 profile_file_name_ = file_name;
41 void set_pdb_file_name(std::string file_name) { pdb_file_name_ = file_name; }
42 void set_mol_index(
int index) { mol_index_ = index; }
44 void show(std::ostream& s)
const {
45 s <<
"Chi = " << chi_ <<
" c1 = " << c1_ <<
" c2 = " << c2_
46 <<
" default chi = " << default_chi_ << std::endl;
49 struct compare_fit_parameters {
51 return fp1.get_chi() < fp2.get_chi();
63 std::string profile_file_name_;
64 std::string pdb_file_name_;
Parameters of a fit, from ProfileFitter.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.