9 #ifndef IMPMULTIFIT_FITTING_SOLUTION_RECORD_H
10 #define IMPMULTIFIT_FITTING_SOLUTION_RECORD_H
16 #include <IMP/multifit/multifit_config.h>
17 IMPMULTIFIT_BEGIN_NAMESPACE
30 inline unsigned int get_index()
const {
return index_;}
31 void set_index(
unsigned int new_ind) {index_ = new_ind;}
32 inline std::string get_solution_filename()
const {
return sol_fn_;}
33 void set_solution_filename(std::string sol_fn) {sol_fn_=sol_fn;}
35 {
return fit_transformation_;}
37 {fit_transformation_=t;}
38 inline unsigned int get_match_size()
const {
return match_size_;}
39 void set_match_size(
unsigned int match_size) {match_size_=match_size;}
40 inline Float get_match_average_distance()
const {
return match_avg_dist_;}
41 void set_match_average_distance(
Float match_avg_dist) {
42 match_avg_dist_=match_avg_dist;}
43 inline Float get_fitting_score()
const {
return fitting_score_;}
44 void set_fitting_score(
Float fit_score) {
45 fitting_score_=fit_score;}
46 inline Float get_rmsd_to_reference()
const{
return rmsd_to_ref_;}
47 void set_rmsd_to_reference(
Float rmsd_to_ref) {
48 rmsd_to_ref_=rmsd_to_ref;}
50 {
return dock_transformation_;}
52 {dock_transformation_=t;}
53 inline Float get_envelope_penetration_score()
const {
return env_pen_;}
54 void set_envelope_penetration_score(
Float s){env_pen_=s;}
59 void show(std::ostream& out=std::cout)
const;
60 static std::string get_record_header() {
62 ss<<
"solution index | solution filename | fit rotation | fit translation |"
63 <<
" match size | match average distance | "
64 <<
" envelope penetration score | fitting score|"<<
65 "dock rotation | dock translation |"
66 <<
" RMSD to reference"<<std::endl;
74 unsigned int match_size_;
75 Float match_avg_dist_;
82 IMPMULTIFIT_END_NAMESPACE