def test1c1(self):
"singlephonon_sqe2dos: partial update -- keep area"
iqehist = hh.load(os.path.join(datadir, "graphite-Ei_130-iqe.h5"))
initdos = hh.load(os.path.join(datadir, "graphite-Ei_300-dos.h5"))
newdos = sqe2dos.singlephonon_sqe2dos(iqehist,
T=300,
Ecutoff=110.,
elastic_E_cutoff=(-30., 15),
M=12.,
initdos=initdos,
update_weights=[0., 1.])
path = os.path.join(here, 'expected_results', 'test1c1-dos.h5')
# hh.dump(newdos, path)
expected = hh.load(path)
self.assert_(np.allclose(newdos.I, expected.I))
self.assert_(np.allclose(newdos.E, expected.E))
self.assert_(np.allclose(newdos.E2, expected.E2))
# plot
if interactive:
pylab.errorbar(initdos.E, initdos.I, initdos.E2**.5, label='init')
pylab.errorbar(newdos.E, newdos.I, newdos.E2**.5, label='new')
# pylab.errorbar(expected.E, expected.I, expected.E2**.5, label='expected')
pylab.legend()
pylab.show()
return
def test1a(self):
"singlephonon_sqe2dos: simulated vanadium SQE -> DOS"
S = hh.load(os.path.join(datadir, "V-S1.h5"))
with warnings.catch_warnings(record=True) as ws:
warnings.simplefilter('always')
DOS = sqe2dos.singlephonon_sqe2dos(S,
T=300,
Ecutoff=55.,
elastic_E_cutoff=(0., 0.),
M=50.94)
for w in ws:
assert 'Scaling factor' not in str(w)
E = DOS.E
g = DOS.I
# compare to the original dos data
E1, g1 = loadDOS()
ginterp = np.interp(E1, E, g)
self.assert_(np.allclose(g1, ginterp))
# plot
if interactive:
import pylab
pylab.plot(E1, g1, label="Original DOS")
pylab.plot(E1, ginterp, label="DOS from SQE")
pylab.legend()
pylab.show()
return
def test1b(self):
iqehist = hh.load(os.path.join(datadir, "V-iqe.h5"))
from multiphonon.sqe import interp
newiqe = interp(iqehist, newE=np.arange(-50, 50, 1.0))
DOS = sqe2dos.singlephonon_sqe2dos(newiqe, T=300, Ecutoff=65.0, elastic_E_cutoff=(-20.0, 6.7), M=50.94)
# plot
if interactive:
H.plot(DOS)
return
def test1a(self):
S = hh.load(os.path.join(datadir, "V-iqe-dE_0.2.h5"))
DOS = sqe2dos.singlephonon_sqe2dos(
S, T=300, Ecutoff=55., elastic_E_cutoff=(0.,0.), M=50.94)
E = DOS.E
g = DOS.I
# plot
if interactive:
import pylab
pylab.plot(E, g)
pylab.show()
return
def test1b2(self):
"singlephonon_sqe2dos: check energy axis"
iqehist = hh.load(os.path.join(datadir, "V-iqe.h5"))
from multiphonon.sqe import interp
newiqe = interp(iqehist, newE=np.arange(-50.5, 50, 1.))
from multiphonon.backward.singlephonon_sqe2dos import EnergyAxisMissingBinCenterAtZero
with self.assertRaises(EnergyAxisMissingBinCenterAtZero):
DOS = sqe2dos.singlephonon_sqe2dos(newiqe,
T=300,
Ecutoff=65.,
elastic_E_cutoff=(-20., 6.7),
M=50.94)
return
def test1c(self):
"singlephonon_sqe2dos: partial update"
iqehist = hh.load(os.path.join(datadir, "graphite-Ei_130-iqe.h5"))
initdos = hh.load(os.path.join(datadir, "graphite-Ei_300-dos.h5"))
newdos = sqe2dos.singlephonon_sqe2dos(iqehist,
T=300,
Ecutoff=100.,
elastic_E_cutoff=(-30., 15),
M=12.,
initdos=initdos)
# plot
if interactive:
pylab.plot(initdos.E, initdos.I)
pylab.plot(newdos.E, newdos.I)
pylab.show()
return
def test1a(self):
S = hh.load(os.path.join(datadir, "V-S1.h5"))
DOS = sqe2dos.singlephonon_sqe2dos(S, T=300, Ecutoff=55.0, elastic_E_cutoff=(0.0, 0.0), M=50.94)
E = DOS.E
g = DOS.I
# compare to the original dos data
E1, g1 = loadDOS()
ginterp = np.interp(E1, E, g)
self.assert_(np.allclose(g1, ginterp))
# plot
if interactive:
import pylab
pylab.plot(E1, g1)
pylab.plot(E1, ginterp)
pylab.show()
return
def test1b(self):
"singlephonon_sqe2dos: exp vanadium SQE -> DOS"
iqehist = hh.load(os.path.join(datadir, "V-iqe.h5"))
from multiphonon.sqe import interp
newiqe = interp(iqehist, newE=np.arange(-50, 50, 1.))
DOS = sqe2dos.singlephonon_sqe2dos(newiqe,
T=300,
Ecutoff=65.,
elastic_E_cutoff=(-20., 6.7),
M=50.94)
path = os.path.join(here, 'expected_results', 'test1b-dos.h5')
expected = hh.load(path)
self.assert_(np.allclose(DOS.I, expected.I))
self.assert_(np.allclose(DOS.E2, expected.E2))
# plot
if interactive:
H.plot(DOS)
return
def test1d(self):
"singlephonon_sqe2dos: partial update -- warnings"
iqehist = hh.load(os.path.join(datadir, "graphite-Ei_30-iqe.h5"))
initdos = hh.load(os.path.join(datadir, "graphite-Ei_130-dos.h5"))
with warnings.catch_warnings(record=True) as ws:
warnings.simplefilter('always')
newdos = sqe2dos.singlephonon_sqe2dos(iqehist,
T=300,
Ecutoff=20.,
elastic_E_cutoff=(-10., 8),
M=12.,
initdos=initdos)
has_scaling_factor_warning = False
for w in ws:
has_scaling_factor_warning = has_scaling_factor_warning or (
'Scaling factor' in str(w))
continue
self.assert_(has_scaling_factor_warning)
# plot
if interactive:
pylab.plot(initdos.E, initdos.I)
pylab.plot(newdos.E, newdos.I)
pylab.show()
return