def test_by_sin(npoints=100):
s = lambda x, y, z: np.sin(2*np.pi*4*r(x,y,z))
sizelat = 4
l = sizelat/2
r = lambda x, y, z: np.sqrt((x-l)**2 + (y-l)**2 + (z-l)**2)
cube = cube_lattice(lattice_num=npoints, flambda=s, sizelat=sizelat)
plt.imshow(cube[npoints/2, :,:])
plt.colorbar()
plt.show()
cube -= np.average(cube)
peakmax = 10.
lenqs2, intens_mod = straight_intensity(cube, peakmax=peakmax, sizelat=sizelat)
intens_mod /= lenqs2**2
plt.plot(lenqs2, intens_mod,'--b')
plt.plot(lenqs2, intens_mod,'bo')
plt.title("ФП в точках, ячеек:{}".format(sizelat))
plt.ylabel("I, a.u.")
plt.xlabel("q, a.u.")
plt.show()
output(name="test3", pic_path=".", lenqs=lenqs2, intens_exp=intens_mod,
intens_mod=intens_mod, error=0., xaxis=np.array([0.,9.]))
from Fourier import fourier_base
lenqs_f, intens_f = fourier_base(cube)
lenqs_f /= sizelat
plt.plot(lenqs_f, intens_f/np.max(intens_f),'-r')
plt.title("Полное ФП, ячеек:{}".format(sizelat))
plt.ylabel("I, a.u.")
plt.xlabel("q, a.u.")
plt.show()
def test_single_scat(npoints=256):
r = lambda x, y, z: np.sqrt(x**2 + y**2 + z**2)
s = lambda x, y, z: np.sin(2*np.pi*r(x,y,z))
sizelat = 10
cube = cube_lattice(lattice_num=npoints, flambda=s, sizelat=sizelat)
cube2 = np.zeros(cube.shape)
cube2[cube>0.5] = 1.
#cube = cube2
cube -= np.average(cube)
x, y, z = np.mgrid[:sizelat:npoints * 1j, :sizelat:npoints * 1j, :sizelat:npoints * 1j]
qvec = np.array([1, 0, 0])
qC = x*qvec[0] + y*qvec[1] + z*qvec[2]
expqC = np.exp(2*np.pi*1j*qC)
amplitude = np.abs((expqC*cube).sum()).astype(float)
print(amplitude)
def generate_bicontinous_cube(**kwargs):
phi = kwargs.get("phi", [0.09, 0.18444])
dens = kwargs.get("dens", [0.33, 0.186, 0.27])
fname = kwargs.get("func", "g")
if fname == "g":
func = gyroid
elif fname == "dd":
func = double_diamond
else:
raise ValueError("Wrong func: {}".format(fname))
signal_length = kwargs.get("signal_length", 4)
npoints = kwargs.get("npoints", 128)
thr = kwargs.get("thr", 0.05)
if func == gyroid:
phi_to_c = phi_to_const_gyr
elif func == double_diamond:
phi_to_c = phi_to_const_double_double_diam
else:
raise ValueError("Func is not a gyr or dd: {}".format(repr(func)))
C = phi_to_c(np.array(phi))
func = kwargs.get("func_full",func)
func_1in = lambda x,y,z: func(x,y,z, const=C[0])
cube1_in = cube_lattice(lattice_num=npoints, flambda=func_1in, sizelat=signal_length)
func_1out = lambda x,y,z: func(x,y,z, const=C[1])
cube1_out = cube_lattice(lattice_num=npoints, flambda=func_1out, sizelat=signal_length)
func_2in = lambda x,y,z: -func(x,y,z, const=-C[0])
cube2_in = cube_lattice(lattice_num=npoints, flambda=func_2in, sizelat=signal_length)
func_2out = lambda x,y,z: -func(x,y,z, const=-C[1])
cube2_out = cube_lattice(lattice_num=npoints, flambda=func_2out, sizelat=signal_length)
#plt.imshow(cube2_out[len(cube2_out)/2])
#plt.colorbar()
#plt.show()
postname = kwargs.get("post","mesh")
if postname == "mesh":
post = post_mesh
elif postname == "surf":
post = lambda c: post_surf(c, thr=thr)
else:
raise ValueError("Wring type of post {}".format(postname))
cube_in = (post(cube1_in) + post(cube2_in))
#plt.imshow(cube_in[len(cube_in)/2])
#plt.colorbar()
#plt.show()
cube_out = (post(cube1_out) + post(cube2_out))
#plt.imshow(cube1_out[len(cube_in)/2])
#plt.show()
cube = cube_out*(dens[1]-dens[2]) + cube_in*(dens[0]-dens[1]) + dens[2]
return cube
def _task_fourier(**kwargs):
"""fourier for cube with 3 phases"""
"""order is: h20, polar, alk"""
phi = kwargs.get("phi", [0.09, 0.18444])
dens = kwargs.get("dens", [0.33, 0.186, 0.27])
attempt_name = kwargs.get("name", "gyrcomplmesh")
convolve=kwargs.get("convolve", True)
conv_len=kwargs.get("conv_len", 20)
dwp = kwargs.get("dwp", 0.25)
fname = kwargs.get("func", "g")
if fname=="g":
func = gyroid
elif fname == "dd":
func = double_diamond
else:
raise ValueError("Wrong func: {}".format(fname))
signal_length = kwargs.get("length", 4)
npoints = kwargs.get("npoints", 128)
thr = kwargs.get("thr", 0.05)
postname = kwargs.get("post","mesh")
if postname == "mesh":
post = post_mesh
elif postname == "surf":
post = lambda c: post_surf(c, thr=thr)
else:
raise ValueError("Wring type of post {}".format(postname))
show3d = kwargs.get("show3d", False)
base = "verbose/"
"""--------"""
"""preparations"""
phi = np.array(phi)
dens = np.array(dens)
attempt_name = attempt_name + ":ph({}), d({}),L({}),N({})".format(phi, dens, signal_length, npoints)
if func == gyroid:
phi_to_c = phi_to_const_gyr
elif func == double_diamond:
phi_to_c = phi_to_const_double_double_diam
else:
raise ValueError("Func is not a gyr or dd: {}".format(repr(func)))
catalog = base + attempt_name + ":" + str(date.today())
try:
mkdir(catalog)
except FileExistsError:
pass
catalog += '/'
C = phi_to_c(phi)
func_1in = lambda x,y,z: func(x,y,z, const=C[0])
cube1_in = cube_lattice(lattice_num=npoints, flambda=func_1in, sizelat=signal_length)
func_1out = lambda x,y,z: func(x,y,z, const=C[1])
cube1_out = cube_lattice(lattice_num=npoints, flambda=func_1out, sizelat=signal_length)
func_2in = lambda x,y,z: -func(x,y,z, const=-C[0])
cube2_in = cube_lattice(lattice_num=npoints, flambda=func_2in, sizelat=signal_length)
func_2out = lambda x,y,z: -func(x,y,z, const=-C[1])
cube2_out = cube_lattice(lattice_num=npoints, flambda=func_2out, sizelat=signal_length)
#vmp.show_mol_surf(surf_datas=(cube1_in, cube2_in, cube1_out, cube2_out))
#plot_slice(cube2_in, catalog, name="2in.png")
#plot_slice(cube1_in, catalog, name="1in.png")
#plot_slice(cube1_out, catalog, name="1out.png")
#plot_slice(cube2_out, catalog, name="2out.png")
"""----"""
if show3d:
vmp.show_mol_surf(surf_datas=(cube1_in,cube2_in, cube1_out, cube2_out), setrange=int(npoints*0.4), screenshot=True,
quit=True, screenname=catalog + '3d.png')
cube_in = (post(cube1_in) + post(cube2_in))
cube_out = (post(cube1_out) + post(cube2_out))
cube = cube_out*(dens[1]-dens[2]) + cube_in*(dens[0]-dens[1]) + dens[2]
plot_slice(cube, catalog)
cube -= np.average(cube)
fourier_intens_from_cube(cube, signal_length=signal_length, attempt_name=attempt_name,
catalog=catalog, filname="data/peaks_{}.txt".format(fname), convolve=convolve, conv_len=conv_len, dwp=dwp)
