20 tref.add_particle(ds0[0], ds0)
21 tref.add_particle(ds1[0], ds1)
31 ds1[0].get_particle_index()),
37 mc.set_scoring_function([r])
Apply a score to a fixed number of close pairs from the two sets.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
XYZRs create_xyzr_particles(Model *m, unsigned int num, Float radius, Float box_side=10)
Create a set of particles with random coordinates.
A harmonic score on the distance between two spheres.
Move continuous particle variables by perturbing them within a ball.
double get_distance(XYZR a, XYZR b)
Compute the sphere distance between a and b.
Class for storing model, its restraints, constraints, and particles.
A lookup based particle refiner.
Basic functionality that is expected to be used by a wide variety of IMP users.
Applies a PairScore to a Pair.