soprano.collection.generate.transform

Generator producing structures by repeatedly applying a transform

Functions

transformGen(struct_0, transform[, steps])

Generator function to create multiple structures with positions interpolated linearly between two extremes.

soprano.collection.generate.transform.transformGen(struct_0, transform, steps=10)

Generator function to create multiple structures with positions interpolated linearly between two extremes.

Args:

struct_0 (ase.Atoms): the starting structure

transform (function): the transform to apply on the given structure.

Must accept and return a structure as only

arguments. Instances of all transforms from the

soprano.properties.transform module satisfy

these conditions.

steps (Optional[int]): number of times to apply the transform.

Default is 10

Returns:

linspaceGenerator (generator): an iterator object that yields

structures created by linear

interpolation.