9 #ifndef IMPEXAMPLE_CREATING_RESTRAINTS_H
10 #define IMPEXAMPLE_CREATING_RESTRAINTS_H
12 #include <IMP/example/example_config.h>
20 IMPEXAMPLE_BEGIN_NAMESPACE
35 double scale =
core::XYZR(m, ps[0]).get_radius();
37 (length_factor * 2.0 * scale, k,
"chain linker %1%"));
42 (m, ps, name +
" consecutive pairs"));
54 double scale =
core::XYZR(m, ps[0]).get_radius();
56 (m, ps, name +
" list"));
66 IMPEXAMPLE_END_NAMESPACE
O * release()
Relinquish control of the raw pointer stored in the Pointer.
Return all pairs from a SingletonContainer.
Various important functionality for implementing decorators.
Store a list of ParticleIndexes.
Restraint * create_restraint(Score *s, Container *c, std::string name=std::string())
Return all pairs from a SingletonContainer.
Return all close unordered pairs of particles taken from the SingletonContainer.
Restraint * create_excluded_volume(Model *m, const ParticleIndexes &ps, double k, std::string name)
A smart pointer to a reference counted object.
#define IMP_NEW(Typename, varname, args)
Declare a ref counted pointer to a new object.
Class for storing model, its restraints, constraints, and particles.
Store a list of ParticleIndexes.
A Score on the distance between a pair of particles.
A score on the distance between the surfaces of two spheres.
#define IMP_USAGE_CHECK(expr, message)
A runtime test for incorrect usage of a class or method.
Restraint * create_chain_restraint(Model *m, const ParticleIndexes &ps, double length_factor, double k, std::string name)
A restraint is a term in an IMP ScoringFunction.
A decorator for a particle with x,y,z coordinates and a radius.