molsysmt.form.file_h5msm.StructuresIterator

class molsysmt.form.file_h5msm.StructuresIterator(molecular_system, atom_indices='all', start=0, step=1, stop=None, chunk=1, structure_indices=None, output_type='values', skip_digestion=True, **kwargs)

StructuresIterator for file:h5msm.

Opens the file as an H5MSMFileHandler and delegates to its iterator. The file is owned by this iterator and closed in __exit__.

__init__(molecular_system, atom_indices='all', start=0, step=1, stop=None, chunk=1, structure_indices=None, output_type='values', skip_digestion=True, **kwargs)

Methods

__init__(molecular_system[, atom_indices, ...])