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.
Create a scoring function on a list of restraints.
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 particles of a Model object.
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.