def cli(file: str) -> Any:
"""CLI for dispersion descriptor.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
elements, coordinates = read_geometry(file)
return functools.partial(Dispersion, elements, coordinates)
def cli(file: str) -> Any:
"""CLI for buried volume.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
elements, coordinates = read_geometry(file)
return functools.partial(BuriedVolume, elements, coordinates)
def cli(file: str) -> Any:
"""CLI for cone angle.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
elements, coordinates = read_geometry(file)
return functools.partial(ConeAngle, elements, coordinates)
def cli(file: str) -> Any:
"""CLI for bite angle.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
_, coordinates = read_geometry(file)
return functools.partial(BiteAngle, coordinates)
def cli(file: str) -> Any:
"""CLI for solvent accessible surface area.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
elements, coordinates = read_geometry(file)
return functools.partial(SASA, elements, coordinates)
def cli(file: str) -> Any:
"""CLI for Sterimol.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
elements, coordinates = read_geometry(file)
return functools.partial(Sterimol, elements, coordinates)
def cli(file: str) -> Any:
"""CLI for pyramidalization.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
elements, coordinates = read_geometry(file)
return functools.partial(Pyramidalization, coordinates, elements=elements)
def cli(file: Optional[str] = None) -> Any:
"""CLI for local force.
Args:
file: Geometry file
Returns:
Partially instantiated class
"""
if file is not None:
elements, coordinates = read_geometry(file)
return functools.partial(LocalForce, elements, coordinates)
else:
return functools.partial(LocalForce, None, None)