43 o.set_scoring_function(sf)
50 for d
in [rbss0, rbss1]:
Lower bound harmonic function (non-zero when feature < mean)
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Various classes to hold sets of particles.
XYZRs create_xyzr_particles(Model *m, unsigned int num, Float radius, Float box_side=10)
Create a set of particles with random coordinates.
Rotation3D get_random_rotation_3d(const Rotation3D ¢er, double distance)
Pick a rotation at random near the provided one.
Simple conjugate gradients optimizer.
A score on the distance between the surfaces of two spheres.
Return all close unordered pairs of particles taken from the SingletonContainer.
Vector3D get_random_vector_in(const Cylinder3D &c)
Generate a random vector in a cylinder with uniform density.
Class for storing model, its restraints, constraints, and particles.
Store a list of ParticleIndexes.
Basic functionality that is expected to be used by a wide variety of IMP users.
Class to handle individual model particles.
An exception which is thrown when the Model has attributes with invalid values.
Functionality for loading, creating, manipulating and scoring atomic structures.
static RigidBody setup_particle(Model *m, ParticleIndex pi, ParticleIndexesAdaptor ps)
Applies a PairScore to each Pair in a list.
Perform more efficient close pair finding when rigid bodies are involved.