matsci_opt_benchmarks.particle_packing.utils package¶

Submodules¶

matsci_opt_benchmarks.particle_packing.utils.ax module¶

matsci_opt_benchmarks.particle_packing.utils.data module¶

matsci_opt_benchmarks.particle_packing.utils.data.gen_symmetric_trials(data, component_slot_names, composition_slot_names)[source]¶

matsci_opt_benchmarks.particle_packing.utils.data.get_parameters(remove_composition_degeneracy=True, remove_scaling_degeneracy=False)[source]¶

matsci_opt_benchmarks.particle_packing.utils.data.get_s_mode_radii(size, s, scale, max_running_size=10000)[source]¶

matsci_opt_benchmarks.particle_packing.utils.data.load_data(fname='packing-fraction.csv', folder='data')[source]¶

matsci_opt_benchmarks.particle_packing.utils.data.normalize_row_l1(x)[source]¶

matsci_opt_benchmarks.particle_packing.utils.data.prep_input_data(means, stds, fractions, tol, size)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation module¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.collect_results(job_pkl_path, slurm_savepath)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.evaluate(parameters)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.evaluate_batch(parameter_sets)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.get_box_length(X, safety_factor=2.0)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.get_diameters(means, stds, comps, num_particles=100, seed=None)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.particle_packing_simulation(means, stds, comps, num_particles=100, contraction_rate=0.001, seed=None, data_dir='.', util_dir='.', uid=None, safety_factor=2.0, cleanup=True)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.read_packing_fraction(data_dir, uid, packing_xyzd_fpath, box_length, final=False)[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.run_simulation(flag, util_dir='.', data_dir='.', uid='d27d87f9-2bed-4a32-b160-2b5a04f6c642')[source]¶

matsci_opt_benchmarks.particle_packing.utils.packing_generation.write_diameters(X, data_dir='.', uid='e8da8318-c52c-435a-b25d-a9d26a43b426')[source]¶

matsci_opt_benchmarks.particle_packing.utils.particle_packing module¶

matsci_opt_benchmarks.particle_packing.utils.plotting module¶

Module contents¶