15 p1 = m.add_particle(
'p1')
16 p2 = m.add_particle(
'p2')
39 d1.set_coordinates_are_optimized(
True)
40 d2.set_coordinates_are_optimized(
True)
42 o.set_scoring_function(sf)
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Simple conjugate gradients optimizer.
Create a scoring function on a list of restraints.
static XYZ setup_particle(Model *m, ParticleIndex pi)
Class for storing model, its restraints, constraints, and particles.
Apply a function to the distance to a fixed point.
Score a pair of particles based on the distance between their centers.
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...
Applies a PairScore to a Pair.
Applies a SingletonScore to a Singleton.
Harmonic function (symmetric about the mean)