def display_structure(obj, **kwargs):
"""
Use Jsmol to display a structure in the jupyter notebook.
Requires `nbjsmol` notebook extension installed on the local machine.
Install it with `pip install nbjsmol`. See also https://github.com/gmatteo/nbjsmol.
Args:
obj: Structure object or file with a structure or python object with a `structure` attribute.
kwargs: Keyword arguments passed to `nbjsmol_display`
"""
try:
from nbjsmol import nbjsmol_display
except ImportError as exc:
raise ImportError(
str(exc) + "\ndisplay structure requires nbjsmol package\n."
"Install it with `pip install nbjsmol.`\n"
"See also https://github.com/gmatteo/nbjsmol.")
# Cast to structure, get string with cif data and pass it to nbjsmol.
structure = Structure.as_structure(obj)
return nbjsmol_display(structure.to(fmt="cif"), ext=".cif", **kwargs)
def display_structure(obj, **kwargs):
"""
Use Jsmol to display a structure in the jupyter notebook.
Requires `nbjsmol` notebook extension installed on the local machine.
Install it with `pip install nbjsmol`. See also https://github.com/gmatteo/nbjsmol.
Args:
obj: Structure object or file with a structure or python object with a `structure` attribute.
kwargs: Keyword arguments passed to `nbjsmol_display`
"""
try:
from nbjsmol import nbjsmol_display
except ImportError as exc:
raise ImportError(str(exc) +
"\ndisplay structure requires nbjsmol package\n."
"Install it with `pip install nbjsmol.`\n"
"See also https://github.com/gmatteo/nbjsmol.")
# Cast to structure, get string with cif data and pass it to nbjsmol.
structure = Structure.as_structure(obj)
return nbjsmol_display(structure.to(fmt="cif"), ext=".cif", **kwargs)