def _straight_intensity_v2(lattice, peakmax=5):
qsvec, lenqs = generate_qvecs_lenqs_full(peakmax)
lattice_num = len(lattice)
x, y, z = np.mgrid[:1:lattice_num * 1j, :1:lattice_num * 1j, :1:lattice_num * 1j]
intensity = []
for m in range(len(qsvec)):
qvec = qsvec[m]
fexp = lambda x, y, z: np.exp(1j * 2 * np.pi * (x * qvec[0] + y * qvec[1] + z * qvec[2]))
cuber = fexp(x, y, z) * lattice
intensity.append((np.abs(cuber.sum())).astype(float)**2)
intensity = np.array(intensity)
intensity *= lenqs**2*factor_calc_multiplicity_intens(qsvec)
intensity /= max(intensity)
return qsvec, intensity
def straight_intensity(lattice, peakmax=5, sizelat=1):
qsvec, lenqs = generate_qvecs_lenqs_full(peakmax, uniquelenq=False)
lattice_num = len(lattice)
x, y, z = np.mgrid[:sizelat:lattice_num * 1j, :sizelat:lattice_num * 1j, :sizelat:lattice_num * 1j]
intensity = []
for m in range(len(qsvec)):
qvec = qsvec[m]
qC = x*qvec[0] + y*qvec[1] + z*qvec[2]
expqC = np.exp(2*np.pi*1j*qC)
amplitude = np.abs((expqC*lattice).sum()).astype(float)
#print(lenqs[m], np.abs(amplitude))
intensity.append((amplitude*lenqs[m])**2)
intensity = np.array(intensity)
intensity *= factor_calc_multiplicity_intens(qsvec)
lenqs, intensity = filter_unique(np.round(lenqs,4), intensity, concat=True)
intensity /= max(intensity)
return lenqs, intensity
