Documentation - Read numpy data

[PythonFZ]

Add: How to use numpy input data to the documentation

Working solution can be found:

MDSuite/CI/unit_tests/database/test_file_read.py

Lines 83 to 116 in 0d4837c

	def test_read_script_input(tmp_path):
	n_configs = 10
	n_parts = 4
	n_dims = 2
	time_step = 0.1
	sp_name = "test_species"
	positions = np.random.rand(*(n_configs, n_parts, n_dims))
	velocities = np.random.rand(*(n_configs, n_parts, n_dims))
	properties = [
	PropertyInfo(name="Positions", n_dims=n_dims),
	PropertyInfo(name="Velocities", n_dims=n_dims),
	]
	species_list = [
	SpeciesInfo(name=sp_name, n_particles=n_parts, mass=1234, properties=properties)
	]
	metadata = TrajectoryMetadata(
	species_list=species_list,
	n_configurations=n_configs,
	sample_rate=1,
	box_l=3 * [1.1],
	)
	data = TrajectoryChunkData(species_list=species_list, chunk_size=n_configs)
	data.add_data(positions, 0, sp_name, "Positions")
	data.add_data(velocities, 0, sp_name, "Velocities")
	proc = script_input.ScriptInput(data=data, metadata=metadata, name="test_name")
	project = mdsuite.Project(name="test_proj", storage_path=tmp_path)
	project.add_experiment(name="test_experiment", timestep=time_step)
	exp = project.experiments["test_experiment"]
	exp.add_data(proc)

[SamTov]

Using numpy data for a new experiment?