9 #ifndef IMPMODELLER_MULTIPLE_BINORMAL_RESTRAINT_H
10 #define IMPMODELLER_MULTIPLE_BINORMAL_RESTRAINT_H
12 #include <IMP/modeller/modeller_config.h>
18 IMPMODELLER_BEGIN_NAMESPACE
34 std::vector<BinormalTerm> terms_;
46 IMPMODELLER_DEPRECATED_OBJECT_DECL(2.7)
61 double correlation_, weight_;
62 std::pair<double, double> means_, stdevs_;
64 double evaluate(
const double dihedral[2],
double &sin1,
double &sin2,
65 double &cos1,
double &cos2,
double &rho)
const;
69 : correlation_(-1), weight_(-1), means_(-1, -1), stdevs_(-1, -1) {
71 friend class MultipleBinormalRestraint;
73 void set_correlation(
double correlation) { correlation_ = correlation; }
74 void set_weight(
double weight) { weight_ = weight; }
75 void set_means(
FloatPair means) { means_ = means; }
76 void set_standard_deviations(
FloatPair stdevs) { stdevs_ = stdevs; }
78 out <<
"correlation: " << correlation_ <<
"; weight: " << weight_
79 <<
"; means: " << means_.first <<
", " << means_.second
80 <<
"; standard deviations: " << stdevs_.first <<
", " << stdevs_.second;
85 IMPMODELLER_END_NAMESPACE
#define IMP_SHOWABLE_INLINE(Name, how_to_show)
Declare the methods needed by an object that can be printed.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
std::pair< double, double > FloatPair
A generic pair of floats.
A more IMP-like version of the std::vector.
Class for storing model, its restraints, constraints, and particles.
A single binormal term in a MultipleBinormalRestraint.
#define IMP_VALUES(Name, PluralName)
Define the type for storing sets of values.
void add_term(const BinormalTerm &term)
Add a single BinormalTerm to the restraint.
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
Modeller-style multiple binormal (phi/psi) restraint.
Abstract base class for all restraints.
virtual ModelObjectsTemp do_get_inputs() const =0
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Class for adding derivatives from restraints to the model.
A restraint is a term in an IMP ScoringFunction.
Various important functionality for implementing decorators.