def __init__(self,
ebands_kpath,
phbst_file,
phdos_file,
ebands_kmesh=None):
self.eb_kpath = ElectronBands.as_ebands(ebands_kpath)
self.eb_kmesh = ElectronBands.as_ebands(
ebands_kmesh) if ebands_kmesh is not None else None
self.phbst_file = phbst_file
if duck.is_string(self.phbst_file):
self.phbst_file = PhbstFile(self.phbst_file)
self.phb_qpath = self.phbst_file.phbands
self.phdos_file = phdos_file
if duck.is_string(self.phdos_file):
self.phdos_file = PhdosFile(phdos_file)
def test_return_straceback_ifexc(self):
"""Testing return_straceback_ifexc."""
def f(a, b):
return a + b
with self.assertRaises(TypeError):
f("hello", 1)
newf = decs.return_straceback_ifexc(f)
assert duck.is_string(newf("hello", 1))
def test_return_straceback_ifexc(self):
"""Testing return_straceback_ifexc."""
def f(a, b):
return a + b
with self.assertRaises(TypeError):
f("hello", 1)
newf = decs.return_straceback_ifexc(f)
assert duck.is_string(newf("hello", 1))
def plot_linewidths_sigeph(self, sigeph, eb_ylims=None, **kwargs):
"""
Plot e-bands + e-DOS + Im(Sigma_{eph}) + phonons + gkq^2
Args:
sigeph: |SigephFile| or string with path to file.
eb_ylims: Set the data limits for the y-axis of the electron band. Accept tuple e.g. ``(left, right)``
or scalar e.g. ``left``. If None, limits are selected automatically.
"""
closeit = False
if duck.is_string(sigeph):
sigeph = SigEPhFile.from_file(sigeph)
closeit = True
# Build grid. share y-axis for Phbands and Phdos
import matplotlib.pyplot as plt
fig = plt.figure()
# Electrons
ax0 = plt.subplot2grid((2, 4), (0, 0), colspan=2, rowspan=1)
ax1 = plt.subplot2grid((2, 4), (0, 2), colspan=1, rowspan=1)
ax2 = plt.subplot2grid((2, 4), (0, 3), colspan=1, rowspan=1)
# Share y-axis
ax_share("y", ax0, ax1, ax2)
# Phonons
ax3 = plt.subplot2grid((2, 4), (1, 0), colspan=2, rowspan=1)
ax4 = plt.subplot2grid((2, 4), (1, 2), colspan=1, rowspan=1)
ax5 = plt.subplot2grid((2, 4), (1, 3), colspan=1, rowspan=1)
# Share y-axis
ax_share("y", ax3, ax4, ax5)
e0 = "fermie"
# Plot electrons with possible e-ph scattering channels.
self.eb_kpath.plot(ax=ax0,
e0=e0,
with_gaps=True,
ylims=eb_ylims,
max_phfreq=self.phb_qpath.maxfreq,
show=False)
sigeph.plot_lws_vs_e0(ax=ax1, e0=e0, exchange_xy=True, show=False)
sigeph.edos.plot(ax=ax2, e0=e0, exchange_xy=True, show=False)
# Plot phonon bands
self.phb_qpath.plot(ax=ax3, show=False)
sigeph.plot_a2fw_skb_sum(ax=ax4,
what="gkq2",
exchange_xy=True,
fontsize=8,
show=False)
# Plot phonon PJDOS
self.phdos_file.plot_pjdos_type(ax=ax5,
fontsize=8,
exchange_xy=True,
show=False)
#set_visible(ax4, False, "ylabel")
#ax4.tick_params("y", left=False, labelleft=False)
#ax4.tick_params("y", right=True, labelright=True)
if closeit: sigeph.close()
return fig
def test_is_string(self):
"""Testing is_string."""
assert duck.is_string("hello")
assert not duck.is_string(1)
assert not duck.is_string([1, 2, 3])