def buffer_shifts_frac(self, buffer): from cctbx.crystal import direct_space_asu return direct_space_asu.float_asu( unit_cell=self, cuts=[direct_space_asu.float_cut_plane(n=n, c=0) for n in [(-1,0,0),(0,-1,0),(0,0,-1)]]) \ .add_buffer(thickness=float(buffer)) \ .shape_vertices().max()
def as_float_cut_plane(self): from cctbx.crystal.direct_space_asu import float_cut_plane result = float_cut_plane(n=[float(e) for e in self.n], c=float(self.c)) return result