Coverage for /builds/kinetik161/ase/ase/lattice/tetragonal.py: 55.56%

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

2 

3The following lattice creators are defined: 

4 SimleTetragonal 

5 CenteredTetragonal 

6""" 

7 

8from ase.lattice.orthorhombic import (BodyCenteredOrthorhombicFactory, 

9 SimpleOrthorhombicFactory) 

10 

11 

12class _Tetragonalize: 

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

14 

15 # The name of the crystal structure in ChemicalElements 

16 xtal_name = "tetragonal" 

17 

18 def make_crystal_basis(self): 

19 lattice = self.latticeconstant 

20 if isinstance(lattice, type({})): 

21 lattice['b/a'] = 1.0 

22 else: 

23 if len(lattice) == 2: 

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

25 else: 

26 raise ValueError( 

27 'Improper lattice constants for tetragonal crystal.') 

28 self.latticeconstant = lattice 

29 self.orthobase.make_crystal_basis(self) 

30 

31 

32class SimpleTetragonalFactory(_Tetragonalize, SimpleOrthorhombicFactory): 

33 "A factory for creating simple tetragonal lattices." 

34 orthobase = SimpleOrthorhombicFactory 

35 

36 

37SimpleTetragonal = SimpleTetragonalFactory() 

38 

39 

40class CenteredTetragonalFactory(_Tetragonalize, 

41 BodyCenteredOrthorhombicFactory): 

42 "A factory for creating centered tetragonal lattices." 

43 orthobase = BodyCenteredOrthorhombicFactory 

44 

45 

46CenteredTetragonal = CenteredTetragonalFactory()