9 #ifndef IMPCNMULTIFIT_MOL_CN_SYMM_AXIS_DETECTOR_H
10 #define IMPCNMULTIFIT_MOL_CN_SYMM_AXIS_DETECTOR_H
19 #include <IMP/cnmultifit/cnmultifit_config.h>
21 IMPCNMULTIFIT_BEGIN_NAMESPACE
23 class IMPCNMULTIFITEXPORT MolCnSymmAxisDetector {
25 MolCnSymmAxisDetector(
int symm_deg,
const atom::Hierarchies &mhs);
26 algebra::PrincipalComponentAnalysis get_pca()
const {
return pca_;}
28 int get_symmetry_axis_index()
const;
29 void show(std::ostream& out=std::cout)
const {
30 out<<
"symm degree:"<<symm_deg_<<std::endl;
31 out<<
"symm axis:"<<get_symmetry_axis_index()<<std::endl;
35 float calc_symm_score(
int symm_axis_ind)
const;
39 algebra::PrincipalComponentAnalysis pca_;
41 algebra::Transformation3D to_native_,from_native_;
43 atom::Hierarchies mhs_;
47 IMPCNMULTIFIT_END_NAMESPACE