home
about
news
download
doc
source
systems
tests
bugs
contact
IMP Reference Guide
2.18.0
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
doc
examples
core
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)
15
d0 =
IMP.core.XYZR.setup_particle
(
16
p0,
IMP.algebra.Sphere3D
(
IMP.algebra.Vector3D
(0, 1, 2),
17
1.0))
18
p1 =
IMP.Particle
(m)
19
d1 =
IMP.core.XYZR.setup_particle
(p1)
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))
IMP::setup_from_argv
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
IMP::core::XYZR::setup_particle
static XYZR setup_particle(Model *m, ParticleIndex pi)
Definition:
XYZR.h:48
IMP::core::get_distance
double get_distance(XYZR a, XYZR b)
Compute the sphere distance between a and b.
Definition:
XYZR.h:89
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:73
IMP::core::XYZ
A decorator for a particle with x,y,z coordinates.
Definition:
XYZ.h:30
IMP::core
Basic functionality that is expected to be used by a wide variety of IMP users.
IMP::algebra
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
IMP::algebra::Vector3D
VectorD< 3 > Vector3D
Definition:
VectorD.h:421
IMP::Particle
Class to handle individual particles of a Model object.
Definition:
Particle.h:41
IMP::algebra::SphereD< 3 >