def gridsqe(self, qbegin, qend, qstep,
ebegin, eend, estep,
s ):
'''gridsqe: S(Q,E) on grid
qbegin, qend, qstep: Q axis
ebegin, eend, estep: E axis
s: numpy array of S
'''
shape = s.shape
assert len(shape) == 2
assert shape[0] == int( (qend-qbegin)/qstep +0.5 ), (
'qend: %s, qbegin: %s, qstep: %s, shape0: %s' % (
qend, qbegin, qstep, shape[0]) )
assert shape[1] == int( (eend-ebegin)/estep +0.5 )
size = shape[0] * shape[1]
svector = b.vector_double( size )
saveshape = s.shape
s.shape = -1,
svector[:] = s
s.shape = saveshape
fxy = b.new_fxy(
qbegin, qend, qstep,
ebegin, eend, estep,
svector)
return b.GridSQE( fxy )
def testCompositeScatteringKernel(self):
'CompositeScatteringKernel'
shape = mccompositebp.Block(1, 1, 1)
from neutron_printer3 import cKernel as Printer
printer = Printer()
kernels = mccomponentsbp.pointer_vector_Kernel(0)
kernels.append(printer)
weights = mccomponentsbp.vector_double(0)
weights.append(1.)
average = False
kernelcomposite = mccomponentsbp.CompositeScatteringKernel(
kernels, weights, average)
mcweights = mccomponentsbp.MCWeights_AbsorptionScatteringTransmission()
scatterer = mccomponentsbp.HomogeneousNeutronScatterer(
shape, kernelcomposite, mcweights)
for i in range(10):
ev = mcni.neutron(r=(0, 0, -5), v=(0, 0, 1))
scatterer.scatter(ev)
continue
return
def testCompositeScatteringKernel(self):
'CompositeScatteringKernel'
shape = mccompositebp.Block(1,1,1)
from neutron_printer3 import cKernel as Printer
printer = Printer( )
kernels = mccomponentsbp.pointer_vector_Kernel(0)
kernels.append( printer )
weights = mccomponentsbp.vector_double(0)
weights.append(1.)
rotmats = mccomponentsbp.vector_rotmat(0)
rotmat = mcnibp.RotationMatrix_double(1,0,0, 0,1,0, 0,0,1)
rotmats.append(rotmat)
average=False
kernelcomposite = mccomponentsbp.CompositeScatteringKernel(
kernels, weights, rotmats, average)
mcweights = mccomponentsbp.MCWeights_AbsorptionScatteringTransmission()
scatterer = mccomponentsbp.HomogeneousNeutronScatterer(
shape, kernelcomposite, mcweights )
for i in range(10):
ev = mcni.neutron( r = (0,0,-5), v = (0,0,1) )
scatterer.scatter(ev)
continue
return
def linearlyinterpolateddos(
self, e0, de, n, Z):
'''create boost python object of LinearlyInterpolatedDOS
e0: minimum phonon energy. float
de: phonon energy step. float
n: number of points.
Z: values of DOS at the energy points defined by (e0, de, n)
'''
Z1 = b.vector_double( n )
for i in range(n): Z1[i] = Z[i]
return b.LinearlyInterpolatedDOS_dbl( e0, de, n, Z1 )
def gridsqe(self, qbegin, qend, qstep, ebegin, eend, estep, s):
shape = s.shape
assert len(shape) == 2
assert shape[0] == int((qend - qbegin) / qstep)
assert shape[1] == int((eend - ebegin) / estep)
size = shape[0] * shape[1]
import mccomponents.mccomponentsbp as b
svector = b.vector_double(size)
s.shape = -1,
svector[:] = s
fxy = b.new_fxy(qbegin, qend, qstep, ebegin, eend, estep, svector)
return b.GridSQE(fxy)
def gridsqe(self, qbegin, qend, qstep,
ebegin, eend, estep,
s ):
shape = s.shape
assert len(shape) == 2
assert shape[0] == int( (qend-qbegin)/qstep )
assert shape[1] == int( (eend-ebegin)/estep )
size = shape[0] * shape[1]
import mccomponents.mccomponentsbp as b
svector = b.vector_double( size )
s.shape = -1,
svector[:] = s
fxy = b.new_fxy(
qbegin, qend, qstep,
ebegin, eend, estep,
svector)
return b.GridSQE( fxy )
def gridsqe(self, qbegin, qend, qstep, ebegin, eend, estep, s):
'''gridsqe: S(Q,E) on grid
qbegin, qend, qstep: Q axis
ebegin, eend, estep: E axis
s: numpy array of S
'''
shape = s.shape
assert len(shape) == 2
assert shape[0] == int((qend - qbegin) / qstep + 0.5), (
'qend: %s, qbegin: %s, qstep: %s, shape0: %s' %
(qend, qbegin, qstep, shape[0]))
assert shape[1] == int((eend - ebegin) / estep + 0.5)
size = shape[0] * shape[1]
svector = b.vector_double(size)
saveshape = s.shape
s.shape = -1,
svector[:] = s
s.shape = saveshape
fxy = b.new_fxy(qbegin, qend, qstep, ebegin, eend, estep, svector)
return b.GridSQE(fxy)
def vector_double(self, size):
return binding.vector_double(size)
def vector_double(self, size):
return binding.vector_double(size)
