for nl in nls:
t_space = np.linspace(0, tmax, nTheta)
r_space = np.linspace(0, rmax, nR)
tscale, rscale = np.meshgrid(t_space, r_space)
try:
rvol = ppu.read_dbin(
str(padf_path / f'{padf_fname}_rmax{rmax}_nl{nl}_padf'),
nR, nTheta)
except FileNotFoundError:
print('File Not Found: Skipping')
continue
print(padf_fname, rvol.shape)
r1r2 = ppu.extract_r1r2(rvol * rscale**2)
ppu.plot_map(r1r2[:, :180],
title=f'{padf_fname} nl {nl} r1r2',
extent=[0, tmax, rmax, 0],
vmin=0,
cmap='gist_stern',
save=f'{padf_fname}_rmax{rmax}_nl{nl}_r1r2')
sumax0 = np.sum(rvol * rscale**2, axis=0)
ppu.plot_map(sumax0[:, :180],
title=f'{padf_fname} nl {nl} sumax0',
extent=[0, tmax, rmax, 0],
cmap='gist_stern',
vmin=0,
lps = {}
#####
for rmax, padf_fname in zip(rmaxs, padf_fnames):
nrmax = round(rmax / res)
t_space = np.linspace(0, tmax, ntheta)
r_space = np.linspace(0, rmax, nrmax)
tscale, rscale = np.meshgrid(t_space, r_space)
try:
rvol = ppu.read_dbin(str(padf_path / f'{padf_fname}'), nrmax, ntheta)
except FileNotFoundError:
print(f'File Not Found: {padf_fname}')
continue
r1r2 = ppu.extract_r1r2(rvol)
np.savetxt(f'{padf_fname[:4]}_padf_r1r2.dat', r1r2, header=f'{r1r2.shape}')
# r1r2 *= rscale**2
r1r2 = r1r2[nrmin:ncropr, :cropt]
r1r2 = np.clip(r1r2, 0, np.max(r1r2))
r1r2 = r1r2**(0.5)
r1r2 = r1r2 - np.min(r1r2)
r1r2 = r1r2 / np.max(r1r2)
lps[f'{padf_fname[:4]}'] = []
for lp_dist in lp_dists:
lps[f'{padf_fname[:4]}'].append(r1r2[int((lp_dist / rmax) * nrmax), :])
q_space = np.linspace(0,qmax, nQ)
tscale, qscale = np.meshgrid(t_space, q_space)
try:
qvol = ppu.read_dbin(str(dbin_path/f'{dbin_fname}'), nQ, nTheta)
except FileNotFoundError:
print(f'File {dbin_fname} Not Found: Skipping')
continue
qvol = qvol**(0.125)
# qvol[:,:,:] -= qvol[:,:,::-1]
r1r2 = ppu.extract_r1r2(qvol)
# r1r2 = ppu.convolve_gaussian(r1r2, 1.5,1.5)
ppu.plot_map(r1r2, title=f'{dbin_fname} r1r2',extent=[0,tmax,0,qmax], cmap='viridis', xlabel='Correlation Angle $\\theta$ [degrees]',ylabel='Correlation length $q$ [1/$\AA$]', save=f'{dbin_fname}_r1r2' )
sumax0 =np.sum(qvol, axis=0)
# sumax0 = ppu.convolve_gaussian(sumax0, 1.5,1.5)
ppu.plot_map(sumax0, title=f'{dbin_fname} sumax0',extent=[0,tmax,0,qmax], cmap='viridis', save=f'{dbin_fname}_sumax0')
#
#
# qsx, qsy = np.meshgrid(q_space,q_space)
#
for dbin_fname, qmax in zip(dbin_fnames, qmaxs):
t_space = np.linspace(0,tmax, nTheta)
q_space = np.linspace(0,qmax, nQ)
tscale, qscale = np.meshgrid(t_space, q_space)
try:
qvol = ppu.read_dbin(str(dbin_path/f'{dbin_fname}'), nQ, nTheta)
except FileNotFoundError:
print(f'File {dbin_fname} Not Found: Skipping')
continue
r1r2 = ppu.extract_r1r2(qvol)#*qscale**2)
r1r2 = ppu.convolve_gaussian(r1r2)
ppu.plot_map(r1r2, title=f'{dbin_fname} r1r2',
extent=[0,tmax,0,qmax], cmap='viridis', xlabel='Correlation Angle $\\theta$ [degrees]',ylabel='Correlation length $q$ [1/$\AA$]', save=f'{dbin_fname}_r1r2' )
# sumax0 =np.sum(qvol*qscale**2, axis=0)
#
# ppu.plot_map(sumax0, title=f'{dbin_fname} sumax0',
# extent=[0,tmax,qmax,0], cmap='gist_stern', vmin=0)
#
#
#
