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IMP Reference Guide  develop.63b38c487d,2024/12/22
The Integrative Modeling Platform
setup.py
1 ## \example kernel/setup.py
2 # Standard setup code.
3 
4 import IMP.core
5 
6 
7 def create_model_and_particles():
8  m = IMP.Model()
9  ps = [IMP.Particle(m) for i in range(0, 100)]
10  bb = IMP.algebra.BoundingBox3D(IMP.algebra.Vector3D(0, 0, 0),
11  IMP.algebra.Vector3D(10, 10, 10))
12  for p in ps:
13  d = IMP.core.XYZR.setup_particle(
14  p, IMP.algebra.Sphere3D(IMP.algebra.get_random_vector_in(bb), 1))
15  d.set_coordinates_are_optimized(True)
16  sc = IMP.container.ListSingletonContainer(ps)
17  return (m, sc)
IMP::core::XYZR::setup_particle
static XYZR setup_particle(Model *m, ParticleIndex pi)
Definition: XYZR.h:48
IMP::algebra::get_random_vector_in
Vector3D get_random_vector_in(const Cylinder3D &c)
Generate a random vector in a cylinder with uniform density.
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
IMP::container::ListSingletonContainer
Store a list of ParticleIndexes.
Definition: ListSingletonContainer.h:35
IMP::core
Basic functionality that is expected to be used by a wide variety of IMP users.
IMP::algebra::Vector3D
VectorD< 3 > Vector3D
Definition: VectorD.h:408
IMP::Particle
Class to handle individual particles of a Model object.
Definition: Particle.h:43