Fix integration tests

This commit is contained in:
Matteo Giantomassi 2017-12-29 18:03:02 +01:00
parent b91a76bc96
commit 1740a08f52
1 changed files with 12 additions and 14 deletions

View File

@ -314,16 +314,19 @@ def itest_bandstructure_schedflow(fwp, tvars):
# TODO: This does not work yet because GSR files do not contain
# enough info to understand if we have a path or a mesh.
#if i == 1:
# Bandstructure case
#assert gsr.ebands.has_bzpath
#with pytest.raises(ValueError):
# gse.ebands.get_edos()
if i == 0:
# DOS case
assert gsr.ebands.has_bzmesh
assert not gsr.ebands.has_bzpath
with pytest.raises(ValueError):
gsr.ebands.get_edos()
#if i == 2:
# # DOS case
# assert gsr.ebands.has_bzmesh
# gsr.ebands.get_edos()
if i == 1:
# Bandstructure case
assert gsr.ebands.has_bzpath
assert not gsr.ebands.has_bzmesh
with pytest.raises(ValueError):
gsr.ebands.get_edos()
def itest_htc_bandstructure(fwp, tvars):
@ -331,11 +334,6 @@ def itest_htc_bandstructure(fwp, tvars):
structure = abilab.Structure.from_file(abidata.cif_file("si.cif"))
pseudos = abidata.pseudos("14si.pspnc")
# TODO: Add this options because I don't like the kppa approach
# I had to use it because it was the approach used in VaspIO
#dos_ngkpt = [4,4,4]
#dos_shiftk = [0.1, 0.2, 0.3]
# Initialize the flow.
flow = abilab.Flow(workdir=fwp.workdir, manager=fwp.manager)