httk.atomistic.siteassignment module

class httk.atomistic.siteassignment.SiteAssignment(assignments)

Bases: HttkObject

Represents a possible vector of assignments

property atomic_number

property atomic_numbers

classmethod create(assignments=None)

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)

get_extensions()

property ratio

property ratios

property symbol

property symbols

to_basis()

classmethod use(old)

httk.atomistic.siteassignment.main()