7 #ifndef IMPMULTIFIT_ENSEMBLE_ANALYSIS_H
8 #define IMPMULTIFIT_ENSEMBLE_ANALYSIS_H
10 #include <IMP/multifit/multifit_config.h>
19 IMPMULTIFIT_BEGIN_NAMESPACE
24 void load_combination(
Ints fit_comb);
25 void unload_combination(
Ints fit_comb);
44 std::vector<multifit::FittingSolutionRecords> fits_;
55 IMPMULTIFIT_END_NAMESPACE
An ensemble of fitting solutions.
Import IMP/kernel/base_types.h in the namespace.
handles reading and writing MultiFit fitting solutions file
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
handles reading matches between a protein and its anchors
stored multifit settings data
The standard decorator for manipulating molecular structures.
A base class for discrete samplers.
stored a multifit fitting solution
double get_rmsd(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Holds header data for optimization.
Common base class for heavy weight IMP objects.
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing sets of objects.
double get_rmsd(const core::XYZs &s0, const core::XYZs &s1)
Class for storing model, its restraints, constraints, and particles.