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IMP Reference Guide  2.19.0
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 import sys
10 
11 IMP.setup_from_argv(sys.argv, "XYZR decorator example")
12 
13 m = IMP.Model()
14 p0 = IMP.Particle(m)
17  1.0))
18 p1 = IMP.Particle(m)
20 d1.set_coordinates(IMP.algebra.Vector3D(3, 4, 5))
21 d1.set_radius(2.0)
22 
23 print(IMP.core.get_distance(d0, d1))
24 
25 # use them as XYZ particles
26 xd0 = IMP.core.XYZ(p0)
27 xd1 = IMP.core.XYZ(p1)
28 
29 # distance without radii
30 print(IMP.core.get_distance(xd0, xd1))
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
static XYZR setup_particle(Model *m, ParticleIndex pi)
Definition: XYZR.h:48
double get_distance(XYZR a, XYZR b)
Compute the sphere distance between a and b.
Definition: XYZR.h:89
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
A decorator for a particle with x,y,z coordinates.
Definition: XYZ.h:30
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
VectorD< 3 > Vector3D
Definition: VectorD.h:425
Class to handle individual particles of a Model object.
Definition: Particle.h:43