9 #ifndef IMPMULTIFIT_PROTEOMICS_EM_ALIGNMENT_ATOMIC_H
10 #define IMPMULTIFIT_PROTEOMICS_EM_ALIGNMENT_ATOMIC_H
21 #include <IMP/multifit/multifit_config.h>
23 #include <boost/scoped_ptr.hpp>
25 IMPMULTIFIT_BEGIN_NAMESPACE
34 const AlignmentParams &align_param);
41 void add_all_restraints();
46 void add_states_and_filters();
47 void show_domino_merge_tree()
const;
51 threshold_ = threshold;
54 core::RigidBodies get_rigid_bodies()
const {
return rbs_; }
61 void load_combination_of_states(
const Ints &state4particles);
62 void show_scores_header(std::ostream &ous = std::cout)
const;
66 Model *get_model() {
return mdl_; }
79 void load_atomic_molecules();
88 AlignmentParams params_;
92 std::vector<std::pair<int, float> > cg_sorted_;
106 IntKey fit_state_key_, order_key_;
107 bool states_set_, filters_set_;
117 IMPMULTIFIT_END_NAMESPACE
handles reading of proteomics data
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
handles reading matches between a protein and its anchors
RestraintSet * get_restraint_set()
Get the restraints set up by add_all_restraints().
stored multifit settings data
void set_fast_scoring(bool state)
Calculate weighted excluded volume between rigid bodies.
Align proteomics graph to EM density map.
Object used to hold a set of restraints.
Class for handling density maps.
Class for handling density maps.
Common base class for heavy weight IMP objects.
stored a multifit fitting solution
A smart pointer to a ref-counted Object that is a class member.
Holds header data for optimization.
Parameters for alignments.
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing lists of object pointers.
IMP::Vector< Int > Ints
Standard way to pass a bunch of Int values.
Sample best solutions using Domino.
handles reading of anchors data