From 02e34d525babedc866029fed8cba04881b0dd6bd Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Thu, 4 May 2017 04:18:38 +0300 Subject: [PATCH] Function for directly getting hexlattice a,b coeffs without saving. Former-commit-id: 0dc9768a7754d407dc733df57eff549ed4ccc53f --- qpms/hexpoints.py | 114 ++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 114 insertions(+) diff --git a/qpms/hexpoints.py b/qpms/hexpoints.py index 1beb7d4..3023903 100644 --- a/qpms/hexpoints.py +++ b/qpms/hexpoints.py @@ -462,4 +462,118 @@ def hexlattice_precalc_AB_loadunwrap(file, tpdict = None, tphcdict = None, retur d['self_tr'] = tpdict['points'] return d +def hexlattice_get_AB(lMax, k_hexside, maxlayer, circular=True, return_points = True, J_scat=3): + params = { + 'lMax' : lMax, + 'k_hexside' : k_hexside, + 'maxlayer' : maxlayer, + 'circular' : circular, + 'savepointinfo' : return_points, # should I delete this key? + 'J_scat' : J_scat + } + tpdict = generate_trianglepoints(maxlayer, v3d=True, circular=circular, sixthindices=True, mirrorindices=True) + tphcdict = generate_trianglepoints_hexcomplement(maxlayer, v3d=True, circular=circular, thirdindices=True, mirrorindices=True) + my, ny = get_mn_y(lMax) + nelem = len(my) + a_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex) + b_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex) + a_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex) + b_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex) + a_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex) + b_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex) + a_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex) + b_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex) + + k_0 = k_hexside*_s3 # not really a wave vector here because of the normalisation! + tc = trans_calculator(lMax) + + y = np.arange(nelem) + + points = tpdict['points'][tpdict['nmi']] + d_i2j = cart2sph(points) + a_self_nm, b_self_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat) + + points = tpdict['points'][tpdict['mi'][0]] + d_i2j = cart2sph(points) + a_self_m0, b_self_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat) + + points = tphcdict['points'][tphcdict['nmi']] + d_i2j = cart2sph(points) + a_d2u_nm, b_d2u_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat) + + points = tphcdict['points'][tphcdict['mi'][0]] + d_i2j = cart2sph(points) + a_d2u_m0, b_d2u_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat) + ''' + tosave = { + 'a_self_nm' : a_self_nm, + 'a_self_m0' : a_self_m0, + 'b_self_nm' : b_self_nm, + 'b_self_m0' : b_self_m0, + 'a_d2u_nm' : a_d2u_nm, + 'a_d2u_m0' : a_d2u_m0, + 'b_d2u_nm' : b_d2u_nm, + 'b_d2u_m0' : b_d2u_m0, + 'precalc_params' : params + } + if savepointinfo: + tosave['tp_points'] = tpdict['points'], + tosave['tp_si'] = tpdict['si'], + tosave['tp_mi'] = tpdict['mi'], + tosave['tp_nmi'] = tpdict['nmi'] + tosave['tphc_points'] = tphcdict['points'], + tosave['tphc_ti'] = tphcdict['ti'], + tosave['tphc_mi'] = tphcdict['mi'], + tosave['tphc_nmi'] = tphcdict['nmi'] + np.savez(file, **tosave) + ''' + self_tr = tpdict['points'] + d2u_tr = tphcdict['points'] + if len(self_tr.shape)>2: + self_tr = np.reshape(self_tr, self_tr.shape[1::]) + if len(d2u_tr.shape)>2: + d2u_tr = np.reshape(d2u_tr, d2u_tr.shape[1::]) + u2d_tr = -d2u_tr + a_self = np.empty((self_tr.shape[0],nelem,nelem), dtype=complex) + b_self = np.empty((self_tr.shape[0],nelem,nelem), dtype=complex) + a_d2u = np.empty(( d2u_tr.shape[0],nelem,nelem), dtype=complex) + b_d2u = np.empty(( d2u_tr.shape[0],nelem,nelem), dtype=complex) + a_self[tpdict['nmi']]=a_self_nm + a_self[tpdict['mi'][0]]=a_self_m0 + b_self[tpdict['nmi']]=b_self_nm + b_self[tpdict['mi'][0]]=b_self_m0 + mirrorangles = cart2sph(self_tr[tpdict['mi'][1]])[:,2] - cart2sph(self_tr[tpdict['mi'][0]])[:,2] + a_self[tpdict['mi'][1],:,:] = a_self[tpdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx])) + b_self[tpdict['mi'][1],:,:] = b_self[tpdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx])) + for i in range(1,6): + a_self[tpdict['si'][i],:,:] = a_self[tpdict['si'][0],:,:] * np.exp(1j*math.pi/3*i*(my[nx,:]-my[:,nx])) + b_self[tpdict['si'][i],:,:] = b_self[tpdict['si'][0],:,:] * np.exp(1j*math.pi/3*i*(my[nx,:]-my[:,nx])) + a_d2u[tphcdict['nmi']]=a_d2u_nm + a_d2u[tphcdict['mi'][0]]=a_d2u_m0 + b_d2u[tphcdict['nmi']]=b_d2u_nm + b_d2u[tphcdict['mi'][0]]=b_d2u_m0 + mirrorangles = cart2sph(self_tr[tphcdict['mi'][1]])[:,2] - cart2sph(self_tr[tphcdict['mi'][0]])[:,2] + a_d2u[tphcdict['mi'][1],:,:] = a_d2u[tphcdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx])) + b_d2u[tphcdict['mi'][1],:,:] = b_d2u[tphcdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx])) + for i in (1,-1): + a_d2u[tphcdict['ti'][i],:,:] = a_d2u[tphcdict['ti'][0],:,:] * np.exp(i*2j*math.pi/3*(my[nx,:]-my[:,nx])) + b_d2u[tphcdict['ti'][i],:,:] = b_d2u[tphcdict['ti'][0],:,:] * np.exp(i*2j*math.pi/3*(my[nx,:]-my[:,nx])) + a_u2d = a_d2u * (-1)**(my[nx,:]-my[:,nx]) + b_u2d = b_d2u * (-1)**(my[nx,:]-my[:,nx]) + d = { + 'a_self' : a_self, + 'b_self' : b_self, + 'a_d2u' : a_d2u, + 'b_d2u' : b_d2u, + 'a_u2d' : a_u2d, + 'b_u2d' : b_u2d, + } + for k in params.keys(): + d[k] = params[k] + if return_points: + d['d2u_tr'] = tphcdict['points'] + d['u2d_tr'] = -tphcdict['points'] + d['self_tr'] = tpdict['points'] + return d +