10 #ifndef IMPPMI1_COMPOSITE_RESTRAINT_H
11 #define IMPPMI1_COMPOSITE_RESTRAINT_H
12 #include "pmi1_config.h"
18 IMPPMI1_BEGIN_NAMESPACE
36 typedef boost::unordered_map<CacheKey, double> Cache;
37 typedef boost::unordered_map<CacheKeyPot, double> CachePot;
46 int exparg_grid_size_;
48 inline double calc_prob (
double dist)
const{
49 double argvalue=(dist-coffd_)/l_;
53 double maxarg=std::max(argvalue,argmin_);
55 double minarg=std::min(maxarg,argmax_);
56 unsigned k =
static_cast<unsigned>( std::floor(minarg*invdx_)+exparg_grid_size_);
61 prob=(1.0-plateau_)/(1.0+std::exp(-argvalue));
71 double get_probability_per_particle_excluding(
unsigned int ipart,
72 Ints excluded_ps, Cache& cache, CachePot& cachepot)
const;
80 double coffd,
double l,
bool tabprob,
double plateau,
81 std::string name=
"CompositeRestraint%1%");
86 unsigned int get_number_of_elements()
const {
return pis_.size();}
97 virtual double get_probability()
const
105 IMPPMI1_END_NAMESPACE
#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 help in defining tuple classes.
A more IMP-like version of the std::vector.
Take Decorator, Particle or ParticleIndex.
Class for storing model, its restraints, constraints, and particles.
A restraint for ambiguous cross-linking MS data and multiple state approach.
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
Abstract base class for all restraints.
int Int
Basic integer value.
virtual ModelObjectsTemp do_get_inputs() const =0
Class for adding derivatives from restraints to the model.
A restraint is a term in an IMP ScoringFunction.