sknano.generators.GeneratorBase.save

GeneratorBase.save(fname=None, outpath=None, structure_format=None, deepcopy=True, center_centroid=True, center_com=False, region_bounds=None, filter_condition=None, rotation_parameters=None, **kwargs)

Save structure data.

Parameters:

fname : {None, str}, optional

file name string

outpath : str, optional

Output path for structure data file.

structure_format : {None, str}, optional

chemical file format of saved structure data. Must be one of:

• xyz
• data

If None, then guess based on fname file extension or default to xyz format.

center_centroid : bool, optional

Center centroid on origin.

center_com : bool, optional

Center center-of-mass on origin.

region_bounds : GeometricRegion, optional

An instance of a GeometricRegion having a method contains to filter the atoms not contained within the GeometricRegion.

filter_condition : array_like, optional