9 (m, c) = IMP.example.create_model_and_particles()
14 m.set_log_level(IMP.WARNING)
18 xyzrs = c.get_particles()
21 s.set_number_of_attempts(10)
23 s.set_log_level(IMP.base.TERSE)
24 s.set_number_of_monte_carlo_steps(10)
26 configs = s.create_sample()
27 for i
in range(0, configs.get_number_of_configurations()):
28 configs.load_configuration(i)
40 for i
in range(0, clustering.get_number_of_clusters()):
42 configs.load_configuration(clustering.get_cluster_representative(i))
PartitionalClusteringWithCenter * create_lloyds_kmeans(Embedding *embedding, unsigned int k, unsigned int iterations)
Embed a configuration using the XYZ coordinates of a set of particles.
Lower bound harmonic function (non-zero when feature < mean)
Return all close unordered pairs of particles taken from the SingletonContainer.
See IMP.statistics for more information.
algebra::Sphere3D get_enclosing_sphere(const XYZs &v)
Get a sphere enclosing the set of XYZRs.
See IMP.example for more information.
Applies a PairScore to each Pair in a list.