Coverage for /builds/ase/ase/ase/lattice/tetragonal.py: 55.56%

1# fmt: off 

2 

3"""Function-like objects creating tetragonal lattices. 

4 

5The following lattice creators are defined: 

6 SimleTetragonal 

7 CenteredTetragonal 

8""" 

9 

10from ase.lattice.orthorhombic import ( 

11 BodyCenteredOrthorhombicFactory, 

12 SimpleOrthorhombicFactory, 

13) 

14 

15 

16class _Tetragonalize: 

17 "A mixin class for implementing tetragonal crystals as orthorhombic ones." 

18 

19 # The name of the crystal structure in ChemicalElements 

20 xtal_name = "tetragonal" 

21 

22 def make_crystal_basis(self): 

23 lattice = self.latticeconstant 

24 if isinstance(lattice, type({})): 

25 lattice['b/a'] = 1.0 

26 else: 

27 if len(lattice) == 2: 

28 lattice = (lattice[0], lattice[0], lattice[1]) 

29 else: 

30 raise ValueError( 

31 'Improper lattice constants for tetragonal crystal.') 

32 self.latticeconstant = lattice 

33 self.orthobase.make_crystal_basis(self) 

34 

35 

36class SimpleTetragonalFactory(_Tetragonalize, SimpleOrthorhombicFactory): 

37 "A factory for creating simple tetragonal lattices." 

38 orthobase = SimpleOrthorhombicFactory 

39 

40 

41SimpleTetragonal = SimpleTetragonalFactory() 

42 

43 

44class CenteredTetragonalFactory(_Tetragonalize, 

45 BodyCenteredOrthorhombicFactory): 

46 "A factory for creating centered tetragonal lattices." 

47 orthobase = BodyCenteredOrthorhombicFactory 

48 

49 

50CenteredTetragonal = CenteredTetragonalFactory()