- Timestamp:
- Jul 19, 2017 10:04:45 AM (7 years ago)
- Branches:
- master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, magnetic_scatt, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
- Children:
- a309667
- Parents:
- d78b5cb
- Location:
- src/sas
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
TabularUnified src/sas/sascalc/corfunc/transform_thread.py ¶
rc728295 r9b90bf8 37 37 # ----- 1D Correlation Function ----- 38 38 gamma1 = dct((iqs-background)*qs**2) 39 gamma1 = gamma1 / gamma1.max() 39 Q = gamma1.max() 40 gamma1 /= Q 40 41 41 42 if self.check_if_cancelled(): return … … 52 53 53 54 # ----- Interface Distribution function ----- 54 dmax = 200.0 # Max real space value to calculate IDF up to55 dstep = 0.556 qmax = 1.0 # Max q value to integrate up to when calculating IDF55 # dmax = 200.0 # Max real space value to calculate IDF up to 56 # dstep = 0.5 # Evaluate the IDF in steps of dstep along the real axis 57 # qmax = 1.0 # Max q value to integrate up to when calculating IDF 57 58 58 59 # Units of x axis depend on qmax (for some reason?). This scales 59 60 # the xgamma array appropriately, since qmax was set to 0.6 in 60 61 # the original fortran code. 61 x_scale = qmax / 0.662 # x_scale = qmax / 0.6 62 63 63 xgamma = np.arange(0, dmax/x_scale, step=dstep/x_scale) 64 idf = np.zeros(len(xgamma)) 64 # xgamma = np.arange(0, dmax/x_scale, step=dstep/x_scale) 65 # idf = np.zeros(len(xgamma)) 66 idf = dct(-qs**4 * (iqs-background)) 67 idf[0] = trapz(-qs**4 * (iqs-background), qs) 68 idf /= Q 65 69 66 70 # nth moment = integral(q^n * I(q), q=0, q=inf) 67 moment = np.zeros(5)68 for n in range(5):69 integrand = qs**n * (iqs-background)70 moment[n] = trapz(integrand[qs < qmax], qs[qs < qmax])71 if self.check_if_cancelled(): return72 73 # idf(x) = -integral(q^4 * I(q)*cos(qx), q=0, q=inf) / 2nd moment74 # => idf(0) = -integral(q^4 * I(q), 0, inf) / (2nd moment)75 # = -(4th moment)/(2nd moment)76 idf[0] = -moment[4] / moment[2]77 for i in range(1, len(xgamma)):78 d = xgamma[i]79 80 integrand = -qs**4 * (iqs-background) * np.cos(d*qs)81 idf[i] = trapz(integrand[qs < qmax], qs[qs < qmax])82 idf[i] /= moment[2]83 if self.check_if_cancelled(): return84 85 xgamma *= x_scale71 # moment = np.zeros(5) 72 # for n in range(5): 73 # integrand = qs**n * (iqs-background) 74 # moment[n] = trapz(integrand[qs < qmax], qs[qs < qmax]) 75 # if self.check_if_cancelled(): return 76 # 77 # # idf(x) = -integral(q^4 * I(q)*cos(qx), q=0, q=inf) / 2nd moment 78 # # => idf(0) = -integral(q^4 * I(q), 0, inf) / (2nd moment) 79 # # = -(4th moment)/(2nd moment) 80 # idf[0] = -moment[4] / moment[2] 81 # for i in range(1, len(xgamma)): 82 # d = xgamma[i] 83 # 84 # integrand = -qs**4 * (iqs-background) * np.cos(d*qs) 85 # idf[i] = trapz(integrand[qs < qmax], qs[qs < qmax]) 86 # idf[i] /= moment[2] 87 # if self.check_if_cancelled(): return 88 # 89 # xgamma *= x_scale 86 90 87 91 except Exception as e: … … 99 103 transform1 = Data1D(xs, gamma1) 100 104 transform3 = Data1D(xs[xs <= 200], gamma3) 101 idf = Data1D(x gamma, idf)105 idf = Data1D(xs, idf) 102 106 103 107 transforms = (transform1, transform3, idf) -
TabularUnified src/sas/sasgui/perspectives/corfunc/corfunc.py ¶
r7dda833 r9b90bf8 192 192 new_plot.xaxis("{x}", 'A') 193 193 new_plot.yaxis("{g_1}", '') 194 194 # Linear scale 195 195 new_plot.xtransform = 'x' 196 196 new_plot.ytransform = 'y' 197 197 group_id = GROUP_ID_IDF 198 # Show IDF as a curve instead of points 198 199 new_plot.symbol = GUIFRAME_ID.CURVE_SYMBOL_NUM 199 200 new_plot.id = label -
TabularUnified src/sas/sasgui/perspectives/corfunc/corfunc_panel.py ¶
rc728295 r9b90bf8 277 277 self._transformed_data = transforms 278 278 (transform1, transform3, idf) = transforms 279 plot_x = transform1.x[ np.where(transform1.x <= 200)]280 plot_y = transform1.y[ np.where(transform1.x <= 200)]279 plot_x = transform1.x[transform1.x <= 200] 280 plot_y = transform1.y[transform1.x <= 200] 281 281 self._manager.show_data(Data1D(plot_x, plot_y), TRANSFORM_LABEL1) 282 282 # No need to shorten gamma3 as it's only calculated up to x=200 283 283 self._manager.show_data(transform3, TRANSFORM_LABEL3) 284 self._manager.show_data(idf, IDF_LABEL) 284 285 plot_x = idf.x[idf.x <= 200] 286 plot_y = idf.y[idf.x <= 200] 287 self._manager.show_data(Data1D(plot_x, plot_y), IDF_LABEL) 285 288 286 289 # Only enable extract params button if a fourier trans. has been done
Note: See TracChangeset
for help on using the changeset viewer.