9 #ifndef IMPMULTIFIT_ANCHOR_UTILITIES_H
10 #define IMPMULTIFIT_ANCHOR_UTILITIES_H
12 #include <IMP/multifit/multifit_config.h>
14 #include <IMP/statistics/internal/VQClustering.h>
15 #include <IMP/statistics/internal/DataPoints.h>
19 IMPMULTIFIT_BEGIN_NAMESPACE
22 inline AnchorsData molecule2anchors(atom::Hierarchy mh,
int k) {
23 IMP_NEW(IMP::statistics::internal::ParticlesDataPoints,ddp,
25 IMP::statistics::internal::VQClustering vq(ddp,k);
27 multifit::DataPointsAssignment assignment(ddp,&vq);
28 multifit::AnchorsData ad(
29 assignment.get_centers(),
30 *(assignment.get_edges()));
37 float density_threshold,
38 std::string pdb_filename,
39 std::string cmm_filename,
40 std::string seg_filename,
41 std::string txt_filename);
52 const AnchorsData &ad,
53 const atom::SecondaryStructureResidues &ssrs,
56 IMPMULTIFIT_END_NAMESPACE