21 d0.set_coordinates_are_optimized(
True)
22 d1.set_coordinates_are_optimized(
True)
28 opt.set_scoring_function([dist])
29 opt.set_minimum_size(.000001)
30 opt.set_initial_length(1)
33 e = opt.optimize(1000000)
Support for running tests of IMP functionality.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Several general purpose optimizers from the GNU Scientific Library (GSL).
Distance restraint between two particles.
static XYZ setup_particle(Model *m, ParticleIndex pi)
double get_distance(XYZR a, XYZR b)
Compute the sphere distance between a and b.
Class for storing model, its restraints, constraints, and particles.
A simplex optimizer taken from GSL.
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...
Class to handle individual model particles.
Harmonic function (symmetric about the mean)