9 #ifndef IMPMULTIFIT_PROTEOMICS_EM_ALIGNMENT_ATOMIC_H
10 #define IMPMULTIFIT_PROTEOMICS_EM_ALIGNMENT_ATOMIC_H
22 #include <IMP/multifit/multifit_config.h>
24 #include <boost/scoped_ptr.hpp>
26 IMPMULTIFIT_BEGIN_NAMESPACE
35 const AlignmentParams &align_param);
42 void add_all_restraints();
47 void add_states_and_filters();
48 void show_domino_merge_tree()
const;
52 threshold_ = threshold;
55 core::RigidBodies get_rigid_bodies()
const {
return rbs_; }
62 void load_combination_of_states(
const Ints &state4particles);
63 void show_scores_header(std::ostream &ous = std::cout)
const;
67 Model *get_model() {
return mdl_; }
80 void load_atomic_molecules();
89 AlignmentParams params_;
93 std::vector<std::pair<int, float> > cg_sorted_;
107 IntKey fit_state_key_, order_key_;
108 bool states_set_, filters_set_;
118 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
Return the hierarchy leaves under a particle.
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 sets of objects.
IMP::Vector< Int > Ints
Standard way to pass a bunch of Int values.
Sample best solutions using Domino.
handles reading of anchors data