IMP  2.2.1
The Integrative Modeling Platform
XYZR_Decorator.py
1 ## \example core/XYZR_Decorator.py
2 # This is a simple example using the XYZRDecorator to set the coordinates
3 # and radius of a particle and compute distances between the resulting
4 # spheres.
5 
6 import IMP
7 import IMP.core
8 import IMP.algebra
9 
10 m = IMP.kernel.Model()
11 p0 = IMP.kernel.Particle(m)
12 d0 = IMP.core.XYZR.setup_particle(
13  p0, IMP.algebra.Sphere3D(IMP.algebra.Vector3D(0, 1, 2),
14  1.0))
15 p1 = IMP.kernel.Particle(m)
16 d1 = IMP.core.XYZR.setup_particle(p1)
17 d1.set_coordinates(IMP.algebra.Vector3D(3, 4, 5))
18 d1.set_radius(2.0)
19 
20 print IMP.core.get_distance(d0, d1)
21 
22 # use them as XYZ particles
23 xd0 = IMP.core.XYZ.decorate_particle(p0)
24 xd1 = IMP.core.XYZ.decorate_particle(p1)
25 
26 # distance without radii
27 print IMP.core.get_distance(xd0, xd1)
IMP::core::get_distance
double get_distance(XYZR a, XYZR b)
Compute the sphere distance between a and b.
Definition: XYZR.h:88
IMP::core::XYZR::setup_particle
static XYZR setup_particle(kernel::Model *m, ParticleIndex pi)
Definition: XYZR.h:48
IMP::kernel::Particle
Class to handle individual model particles.
Definition: kernel/Particle.h:34
IMP::core
See IMP.core for more information.
Definition: AngleRestraint.h:19
IMP::algebra
See IMP.algebra for more information.
Definition: algebra_config.h:113
IMP::algebra::Vector3D
VectorD< 3 > Vector3D
Definition: VectorD.h:395
IMP::core::XYZ::decorate_particle
static XYZ decorate_particle(::IMP::kernel::Particle *p)
Definition: XYZ.h:49
IMP::kernel::Model
Class for storing model, its restraints, constraints, and particles.
Definition: kernel/Model.h:72