httk.atomistic.assignments module¶

class httk.atomistic.assignments.Assignments(siteassignments, extensions=[])[source]¶

Bases: HttkObject

Represents a possible vector of assignments

property atomic_numbers¶

classmethod create(assignments=None)[source]¶

Create a new assignment object,

assignments: a list-style object with one entry per ‘atom type’. Any sensible type accepted, most notably,: integers (for atom number)

property extended¶

property ratios¶

property ratioslist¶

property symbollists¶

property symbols¶

to_basis()[source]¶

classmethod use(old)[source]¶

httk.atomistic.assignments.main()[source]¶