Changeset 02e70ff in sasmodels for sasmodels/sesans.py
- Timestamp:
- Mar 17, 2016 11:03:42 AM (8 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 6ddd6e0
- Parents:
- c970053
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
sasmodels/sesans.py
r190fc2b r02e70ff 13 13 from numpy import pi, exp 14 14 from scipy.special import jv as besselj 15 15 #import direct_model.DataMixin as model 16 16 17 def make_q(q_max, Rmax): 17 18 r""" … … 21 22 q_min = dq = 0.1 * 2*pi / Rmax 22 23 return np.arange(q_min, q_max, dq) 24 25 def make_allq(data): 26 if not data.needs_all_q: 27 return [] 28 elif needs_Iqxy(data): 29 # compute qx, qy 30 Qx, Qy = np.meshgrid(qx, qy) 31 return [Qx, Qy] 32 else: 33 # else only need q 34 return [q] 23 35 36 def transform(data, q_calc, Iq_calc, qmono, Iq_mono): 37 nqmono = len(qmono) 38 if nqmono == 0: 39 result = call_hankel(data, q_calc, Iq_calc) 40 elif nqmono == 1: 41 q = qmono[0] 42 result = call_HankelAccept(data, q_calc, Iq_calc, q, Iq_mono) 43 else: 44 Qx, Qy = [qmono[0], qmono[1]] 45 Qx = np.reshape(Qx, nqx, nqy) 46 Qy = np.reshape(Qy, nqx, nqy) 47 Iq_mono = np.reshape(Iq_mono, nqx, nqy) 48 qx = Qx[0, :] 49 qy = Qy[:, 0] 50 result = call_Cosine2D(data, q_calc, Iq_calc, qx, qy, Iq_mono) 51 52 return result 53 54 def call_hankel(data, q_calc, Iq_calc): 55 return hankel(data.x, data.lam * 1e-9, 56 data.sample.thickness / 10, 57 q_calc, Iq_calc) 58 59 def call_HankelAccept(data, q_calc, Iq_calc, q_mono, Iq_mono): 60 return hankel(data.x, data.lam * 1e-9, 61 data.sample.thickness / 10, 62 q_calc, Iq_calc) 63 64 def Cosine2D(data, q_calc, Iq_calc, qx, qy, Iq_mono): 65 return hankel(data.x, data.y data.lam * 1e-9, 66 data.sample.thickness / 10, 67 q_calc, Iq_calc) 68 69 def TotalScatter(model, parameters): #Work in progress!! 70 # Calls a model with existing model parameters already in place, then integrate the product of q and I(q) from 0 to (4*pi/lambda) 71 allq = np.linspace(0,4*pi/wavelength,1000) 72 allIq = 73 integral = allq*allIq 74 75 76 77 def Cosine2D(wavelength, magfield, thickness, qy, qz, Iqy, Iqz, modelname): #Work in progress!! Needs to call model still 78 #============================================================================== 79 # 2D Cosine Transform if "wavelength" is a vector 80 #============================================================================== 81 #allq is the q-space needed to create the total scattering cross-section 82 83 Gprime = np.zeros_like(wavelength, 'd') 84 s = np.zeros_like(wavelength, 'd') 85 sd = np.zeros_like(wavelength, 'd') 86 Gprime = np.zeros_like(wavelength, 'd') 87 f = np.zeros_like(wavelength, 'd') 88 for i, wavelength_i in enumerate(wavelength): 89 z = magfield*wavelength_i 90 allq=np.linspace() #for calculating the Q-range of the scattering power integral 91 allIq=np.linspace() # This is the model applied to the allq q-space. Needs to refference the model somehow 92 alldq = (allq[1]-allq[0])*1e10 93 sigma[i]=wavelength[i]^2*thickness/2/pi*np.sum(allIq*allq*alldq) 94 s[i]=1-exp(-sigma) 95 for j, Iqy_j, qy_j in enumerate(qy): 96 for k, Iqz_k, qz_k in enumerate(qz): 97 Iq = np.sqrt(Iqy_j^2+Iqz_k^2) 98 q = np.sqrt(qy_j^2 + qz_k^2) 99 Gintegral = Iq*cos(z*Qz_k) 100 Gprime[i] += Gintegral 101 # sigma = wavelength^2*thickness/2/pi* allq[i]*allIq[i] 102 # s[i] += 1-exp(Totalscatter(modelname)*thickness) 103 # For now, work with standard 2-phase scatter 104 105 106 sd[i] += Iq 107 f[i] = 1-s[i]+sd[i] 108 P[i] = (1-sd[i]/f[i])+1/f[i]*Gprime[i] 109 110 111 112 113 def HankelAccept(wavelength, magfield, thickness, q, Iq, theta, modelname): 114 #============================================================================== 115 # HankelTransform with fixed circular acceptance angle (circular aperture) for Time of Flight SESANS 116 #============================================================================== 117 #acceptq is the q-space needed to create limited acceptance effect 118 SElength= wavelength*magfield 119 G = np.zeros_like(SElength, 'd') 120 threshold=2*pi*theta/wavelength 121 for i, SElength_i in enumerate(SElength): 122 allq=np.linspace() #for calculating the Q-range of the scattering power integral 123 allIq=np.linspace() # This is the model applied to the allq q-space. Needs to refference the model somehow 124 alldq = (allq[1]-allq[0])*1e10 125 sigma[i]=wavelength[i]^2*thickness/2/pi*np.sum(allIq*allq*alldq) 126 s[i]=1-exp(-sigma) 127 128 dq = (q[1]-q[0])*1e10 129 a = (x<threshold) 130 acceptq = a*q 131 acceptIq = a*Iq 132 133 G[i] = np.sum(besselj(0, acceptq*SElength_i)*acceptIq*acceptq*dq) 134 135 # G[i]=np.sum(integral) 136 137 G *= dq*1e10*2*pi 138 139 P = exp(thickness*wavelength**2/(4*pi**2)*(G-G[0])) 140 24 141 def hankel(SElength, wavelength, thickness, q, Iq): 25 142 r""" … … 44 161 """ 45 162 G = np.zeros_like(SElength, 'd') 163 #============================================================================== 164 # Hankel Transform method if "wavelength" is a scalar; mono-chromatic SESANS 165 #============================================================================== 46 166 for i, SElength_i in enumerate(SElength): 47 167 integral = besselj(0, q*SElength_i)*Iq*q
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