doc/ref/container_2restrain__in__sphere_8py_source.html

 ## \example container/restrain_in_sphere.py

 # This fragment shows how to restrain a set of points stored in a

 # SingletonContainer in a sphere of radius 'radius' centered around

 # 'center'.


 import IMP.example

 import sys


 IMP.setup_from_argv(sys.argv, "restrain in sphere")


 radius = 10

 stiffness = 2

 center = IMP.algebra.Vector3D(1, 2, 3)

 (m, c) = IMP.example.create_model_and_particles()

 ub = IMP.core.HarmonicUpperBound(radius, stiffness)


 # Restrain based on the distance to a single point (hence a ball)

 ss = IMP.core.DistanceToSingletonScore(ub, center)


 r = IMP.container.SingletonsRestraint(ss, c)

 r.evaluate(False)

IMP::container::SingletonsRestraint
Applies a SingletonScore to each Singleton in a list.
Definition: SingletonsRestraint.h:36

IMP::setup_from_argv
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)

IMP::core::HarmonicUpperBound
Upper bound harmonic function (non-zero when feature > mean)
Definition: core/HarmonicUpperBound.h:22

IMP::core::GenericDistanceToSingletonScore
Apply a function to the distance to a fixed point.
Definition: DistanceToSingletonScore.h:36

IMP::example
Example module.