25 for i
in range(0, num_balls):
30 d.set_coordinates_are_optimized(
True)
40 mc.set_scoring_function(sf)
46 mc.set_score_moved(
True)
52 print(
"initial", sf.evaluate(
False))
53 after = mc.optimize(num_mc_steps)
Applies a SingletonScore to each Singleton in a list.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Various classes to hold sets of particles.
Upper bound harmonic function (non-zero when feature > mean)
static XYZR setup_particle(Model *m, ParticleIndex pi)
Create a scoring function on a list of restraints.
Move continuous particle variables by perturbing them within a ball.
Score particles based on how far outside a box they are.
Vector3D get_random_vector_in(const Cylinder3D &c)
Generate a random vector in a cylinder with uniform density.
Class for storing model, its restraints, constraints, and particles.
Store a list of ParticleIndexes.
void set_log_level(LogLevel l)
Set the current global log level.
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...
Prevent a set of particles and rigid bodies from inter-penetrating.
Class to handle individual particles of a Model object.
Write a CGO file with the geometry.
Output IMP model data in various file formats.
Applies a list of movers one at a time.
Display an IMP::core::XYZR particle as a ball.
std::string create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file.