Is there something wrong in structure.py of icet?

icet
1

Look at the following code from the head of structure.py, icet v2.1

“”"
This module provides the Structure class.
“”"
from typing import List, Sequence
from ase import Atom, Atoms

from _icet import _Structure
from .lattice_site import LatticeSite

class Structure(_Structure):

_icet is a library written in c++ that includes the definition of class Structure rather than _Structure. If you try simply by “from _icet import _Structure”. python interpreter just reports error since it cannot find where _Structure is.

2

I think the pybind interface exposes the cpp class Structure to python as _Structure if you look at pybinding.cpp.

When I run from _icet import _Structure it works just fine. If this gives import error, then maybe you can try to rebuild/install a newer version of icet.