13 #ifndef IMPISD_RESIDUE_PROTEIN_PROXIMITY_RESTRAINT_H
14 #define IMPISD_RESIDUE_PROTEIN_PROXIMITY_RESTRAINT_H
15 #include "isd_config.h"
22 #include <boost/unordered_map.hpp>
24 IMPISD_BEGIN_NAMESPACE
35 bool part_of_log_score=
false,
36 std::string name =
"ResidueProteinProximityRestraint_%1%");
46 double evaluate_for_contributions(
Ints c)
const;
51 void set_sigma(
double sigma) { sigma_=sigma; }
53 void set_cutoff(
double cutoff) { cutoff_=cutoff; }
55 void set_max_score(
double max_score) { max_score_=max_score; }
57 void set_yi(
double yi) { yi_=yi; }
59 void set_interpolation_factor(
double interpolation_factor) { interpolation_factor_=interpolation_factor; }
61 void set_part_of_log_score(
bool hey) { part_of_log_score_=hey; }
73 double interpolation_factor_;
75 bool part_of_log_score_;
79 std::vector<IMP::core::XYZRs> coms1_;
80 std::vector<IMP::core::XYZRs> coms2_;
Various important functionality for implementing decorators.
A shared container for Pairs.
Store a list of ParticleIndexes.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
Macros to define containers of objects.
Class for storing model, its restraints, constraints, and particles.
unsigned get_number_of_contributions() const
Get number of contributions added to the restraint.
Abstract base class for all restraints.
Decorator for a sphere-like particle.
virtual ModelObjectsTemp do_get_inputs() const =0
A restraint is a term in an IMP ScoringFunction.