straight_2d.pro 13.3 KB
 Gonzalez, Miguel committed Jun 28, 2019 1 2 3 ``````FUNCTION straight_2d, win, interpol=inter, distance=e_d, datp=datp, dX=deltaX, \$ texture=txtr, integrate=integ, Weights=Iweight, \$ verbose=verbose `````` Didier Richard committed Dec 05, 2013 4 5 6 7 ``````;+ ;******* *********** ;** ;** User callable `````` Gonzalez, Miguel committed Jun 28, 2019 8 ``````;** The call is w6 = straight_2d(w1 [,distance=samp2detect_Cm] [,/texture]) `````` Didier Richard committed Dec 05, 2013 9 ``````;** `````` Gonzalez, Miguel committed Jun 28, 2019 10 11 12 13 14 15 16 17 ``````;** Win is a 2D (3D) diffractogram, i.e. I(2theta,h) ;** where h is the physical height of the multidetector. ;** ;** Wout is a 2D diffractogram, i.e. I(2theta,h) ;** in which the Debye-Scherrer cones have been straightened out. ;** ;** For each detector height, it calculates a vector of 2theta ;** angles and interpolates onto equatorial plane. `````` Didier Richard committed Dec 05, 2013 18 19 20 21 ``````;** ;** !!! WORKS BETTER WITHOUT INTERPOL (& with regular angles). ;** !!! Do not use the same input/output workspace. ;** `````` Gonzalez, Miguel committed Jun 28, 2019 22 23 24 25 26 27 ``````;** Set the right values for: ;** h = physical height of the multidetector --> in Y ;** r = physical radius of the multidetector --> in call ;** ;** Oct 2008: Care with 2thetha non regular if inter is not set, ;** deltaX is added to better control the regular function. `````` Didier Richard committed Dec 05, 2013 28 ``````;** `````` Gonzalez, Miguel committed Jun 28, 2019 29 ``````;** Dec 2008: Correct vertical position for textured diffractions (use keyword /TEXTURE) `````` Didier Richard committed Dec 05, 2013 30 ``````;** `````` Gonzalez, Miguel committed Jun 28, 2019 31 32 ``````;** Dec 2009: !!! Replace -1 (no data) by -1E-9 ;** Jan 2009: (texture) Replace arrows*fY/fX by arrows*fX/fY `````` Didier Richard committed Dec 05, 2013 33 ``````;** `````` Gonzalez, Miguel committed Jun 28, 2019 34 35 ``````;** Nov 2011: Join straight_2d and straight_1d, adding an integrate keyword ;** Compute a weighting vector for integration (returned in keyword) `````` Didier Richard committed Dec 05, 2013 36 ``````;** `````` Gonzalez, Miguel committed Jun 28, 2019 37 ``````;** Nov 2013: Loop in C code implementation `````` Didier Richard committed Dec 05, 2013 38 39 ``````;- `````` Gonzalez, Miguel committed Jun 28, 2019 40 41 ``````FORWARD_FUNCTION interpol, regular st1 = systime(1) `````` Didier Richard committed Dec 05, 2013 42 43 44 45 46 47 `````` lamp_loop_so, SFdll ;We may have loops in C code if (!version.release lt '5.3') then inter=1 \$ ;***unknown VALUE_LOCATE function*** else if keyword_set(txtr) then inter=0 `````` Gonzalez, Miguel committed Jun 28, 2019 48 49 50 51 52 53 ``````; Get variables associated with win pasp = 1 if n_elements(datp) eq 0 then take_datp, datp else pasp = 0 ; Detector distance if n_elements(e_d) eq 1 then r = e_d else begin `````` Gonzalez, Miguel committed Jul 31, 2019 54 55 56 57 `````` inst = '' tags = tag_names(datp) idx = where(tags eq 'OTHER_TIT', found) if found then inst = strlowcase((strsplit(datp.other_tit, /extract))[0]) `````` Gonzalez, Miguel committed Jun 28, 2019 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 `````` case inst of 'd2b': r = 130.0 'salsa': r = 100.0 'd19': r = 76.3 'in5': r = 400.0 else: begin lamp_journal, '------------------------------------------------------------------' lamp_journal, 'ERROR !!!' lamp_journal, 'Instrument ' + inst + ' is not in case list.' lamp_journal, 'Sample to detector distance not known!' lamp_journal, 'Use distance keyword in call to overcome this issue.' lamp_journal, 'Returning empty workspace!' lamp_journal, '------------------------------------------------------------------' return, 0 end endcase endelse `````` Gonzalez, Miguel committed Jul 31, 2019 75 ``````lamp_journal, 'Starting straight_2d with r = ' + string(r) `````` Gonzalez, Miguel committed Jun 28, 2019 76 77 78 79 80 `````` if (size(win))[0] eq 3 then kz = (size(win))[3]-1 else kz = 0 ; Deal with the Hexapod case in Salsa, where the point information is stored as a string chain `````` 81 82 83 ``````tags = tag_names(datp) idx = where(tags eq 'Z', found) if found then if typename(datp.z) eq 'STRING' then mod_datp, datp, 'z', fix(indgen(n_elements(datp.z)) + 1) `````` Gonzalez, Miguel committed Jun 28, 2019 84 85 86 87 `````` ; Function works only with regular 2thetha !!! regul = "" regu = 0 `````` Didier Richard committed Dec 05, 2013 88 ``````if not keyword_set(inter) then begin `````` Gonzalez, Miguel committed Jun 28, 2019 89 90 91 92 93 94 95 96 97 98 `````` Sxyz = regular(win, dY=0, dX=deltaX, datp=datp, /GetNewSize) regul = " regular" if Sxyz[0] ne (size(win))[1] then begin win = regular(win, dY=0, dX=deltaX, datp=datp) regul = " non-regular" datp.x_tit = datp.x_tit + ' (regular)' regu=1 if (pasp) then give_datp, datp, /second endif endif `````` Didier Richard committed Dec 05, 2013 99 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 100 101 ``````; If x is bidim then take the middle. Not the best correction, to be improved!!! if (size(datp.x))[0] eq 2 then XX = datp.x[*,(((size(datp.x))[2])-1)/2] else XX = datp.X `````` Didier Richard committed Dec 05, 2013 102 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 103 104 105 106 ``````; Don't use negative angles !!! wzero = where(XX ge 0.) w0 = wzero[0] nx = n_elements(XX) `````` Didier Richard committed Dec 05, 2013 107 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 108 109 110 ``````rcos2t = r*cos(XX[wzero]*!pi/180.0) rsin2t2 = (r*sin(XX[wzero]*!pi/180.0))^2 y2 = datp.y^2 `````` Didier Richard committed Dec 05, 2013 111 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 112 113 114 115 ``````; 2D array, number of pixels vertically defined here (21) h_pixels = (size(datp.y))[1] glob_low_idx = fltarr(h_pixels) glob_hi_idx = glob_low_idx `````` Didier Richard committed Dec 05, 2013 116 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 117 ``````; Define output array and initialise it `````` Didier Richard committed Dec 05, 2013 118 119 ``````Wout = win*0. Eout = 0 `````` Gonzalez, Miguel committed Jun 28, 2019 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 ``````win_s1 = (size(win))[1] - 1 rc_s1 = n_elements(rcos2t) - 1 Iweight = XX*0. ;Keep weights for integration vv = fltarr(kz+1) & ee=vv ;temporaries ; Find how many times data have been accumulated in input workspace n_acc_sc = 1 Eok = 0 if n_elements(datp.e) eq n_elements(win) then begin Eok = 1 Eout = Wout idx = where(datp.e[*,h_pixels/2,0] gt 0.) if idx[0] ge 0 then n_acc_sc = ceil( total(win[idx,h_pixels/2,0] / \$ datp.e[idx,h_pixels/2]^2,0) / \$ n_elements(idx) ) `````` Didier Richard committed Dec 05, 2013 135 ``````endif `````` Gonzalez, Miguel committed Jun 28, 2019 136 137 138 139 ``````if keyword_set(verbose) then print, 'Straightening ', h_pixels, ' , ', XX[0], ' ->', XX[win_s1], regul if keyword_set(verbose) then wait, 0.01 ; Calculation of the rays for each 2-theta (needed for textures) `````` Gonzalez, Miguel committed Jun 28, 2019 140 ``````; Need to use float(!const.rtod) to avoid error (would need to explore this issue) `````` Gonzalez, Miguel committed Jun 28, 2019 141 ``````if keyword_set(txtr) then begin `````` Gonzalez, Miguel committed Jun 28, 2019 142 143 144 145 `````` zq = sqrt(rsin2t2 + y2[0]) ; height -h/2 to +h/2 (j=0) xh = atan(zq, rcos2t) * float(!const.rtod) ; calculate 2theta values for the equatorial plane xh XHcm = sin(xh/float(!const.rtod)) * r XXcm = sin(XX[wzero]/float(!const.rtod)) * r `````` Gonzalez, Miguel committed Jun 28, 2019 146 147 148 149 150 151 152 153 154 155 156 `````` fY = abs(datp.y[1] - datp.y[0]) ; delta Y fX = abs((XX[nx-1]-XX[0]) / nx) ; delta X corde = abs(2.0*datp.y[0]) ; corde of the arcs arrows = (abs((XHcm-XXcm)*fX/fY))>(1e-8) ; arrows of the arcs normalized with XYfct-> *fX/fY rays = (4.*arrows^2+corde^2)/(8.*arrows) ; rays of the arcs ;arcs = rays*2.*asin(corde/(2.*rays)) ; length of the arcs unused endif jof = rcos2t * 0. ; For each detector height, calculate the 2-theta vector for j = 0L, h_pixels-1 do begin `````` Didier Richard committed Dec 05, 2013 157 158 `````` if keyword_set(txtr) then begin `````` Gonzalez, Miguel committed Jun 28, 2019 159 160 161 162 163 164 165 166 `````` jof[*] = ((rays*asin(datp.y[j]/rays))/fY +(h_pixels-1)/2.)>0.<(h_pixels-1.) ;New J index (for texture) jof1 = floor(jof) jof2 = ceil(jof) ;vertical weighting PAj2 = jof-jof1 PAj1 = 1.0 - PAj2 endif else jof[*] = j `````` Gonzalez, Miguel committed Jun 28, 2019 167 168 `````` zq = sqrt(rsin2t2 + y2[j]) ; height -h/2 to +h/2 xh = atan(zq,rcos2t)* float(!const.rtod) ; calculate 2theta values for the equatorial plane xh `````` Gonzalez, Miguel committed Jun 28, 2019 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 `````` if xh[0] lt xh[rc_s1] then xdx = where((XX ge xh[0]) and (XX le xh[rc_s1])) \$ ;find corresponding indices xh->XX else xdx = where((XX le xh[0]) and (XX ge xh[rc_s1])) ;(ascending or descending) if xdx[0] ge 0 then begin nxe = n_elements(xdx)-1 xeq = XX[xdx] ;keep first and last 2theta index (straight_1d) glob_low_idx[j] = xdx[0] glob_hi_idx[j] = xdx[nxe] ;INTERPOLATE ONTO EQUATORIAL PLANE if keyword_set(inter) then begin for KK = 0L,kz do begin v = win[wzero,j,KK] ;Will prevent from interpol bounds artifacts v[0,*] = v[1,*] v[rc_s1,*] = v[rc_s1-1,*] wout[xdx,j,KK] = INTERPOL(v,xh,xeq)>0. if Eok then Eout[xdx,j,KK] = INTERPOL(datp.e[wzero,j,KK],xh,xeq)>0. endfor endif else begin sk = VALUE_LOCATE(xeq, xh) ind = where((sk ge 0 ) and (sk le nxe-1)) sk = sk[ind] ik = sk+xdx[0] ik1 = ik+1 ;horizontal weighting PA = ((xh[ind]-xeq[sk])/(xeq[sk+1]-xeq[sk]))>0.<1. PA1 = 1.0 - PA v = win[wzero,j,*] if Eok then e = datp.e[wzero,j,*] if keyword_set(txtr) then begin ;horizontal & vertical weighting for texture PA11 = PA1 * PAj1[ind] PA01 = PA * PAj1[ind] PA12 = PA1 * PAj2[ind] PA02=PA*PAj2[ind] if SFdll gt ' ' then begin ;Try the C code if available dims_wout = SIZE(wout, /DIMENSIONS) dims_v_e = SIZE(v, /DIMENSIONS) ; same size for e and v if n_elements(dims_wout) eq 2 then begin dims_wout=[dims_wout,1] dims_v_e =[dims_v_e ,1,1] endif if not Eok then e = 0 catch, stat if stat ne 0 then bid=0 else begin bid = CALL_EXTERNAL(SFdll, 'STR_textu', \$ n_elements(sk), ind, Eok, jof1, jof2, ik, ik1, \$ dims_wout[0], dims_wout[1], dims_wout[2], wout, Eout, \$ dims_v_e[0], dims_v_e[1], dims_v_e[2], v, e, \$ PA01, PA02, PA11, PA12, \$ VALUE=[ 1,0,1,0,0,0,0, 1,1,1,0,0, 1,1,1,0,0, 0,0,0,0], \$ /I_VALUE, /CDECL) endelse catch, /cancel if (bid ne 1) then begin lamp_loop_so, /reset SFdll = '' endif endif else begin ;Use the IDL code for k = 0L, n_elements(sk)-1 do begin kk = ind[k] jj1 = jof1[kk] jj2 = jof2[kk] vv[*] = v[kk,*,*] if Eok then ee[*] = e[kk,*,*] wout[ik[ k],jj1,*] += (vv*PA11[k]) wout[ik1[k],jj1,*] += (vv*PA01[k]) wout[ik[ k],jj2,*] += (vv*PA12[k]) wout[ik1[k],jj2,*] += (vv*PA02[k]) if Eok then begin Eout[ik[ k],jj1,*] += (ee*PA11[k]) ;Increase errors Eout[ik1[k],jj1,*] += (ee*PA01[k]) Eout[ik[ k],jj2,*] += (ee*PA12[k]) Eout[ik1[k],jj2,*] += (ee*PA02[k]) endif endfor `````` Didier Richard committed Dec 05, 2013 254 `````` endelse `````` Gonzalez, Miguel committed Jun 28, 2019 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 `````` endif else begin ;no texture case: horizontal weighting only if SFdll gt ' ' then begin ;Try the C code if there. dims_wout = SIZE(wout, /DIMENSIONS) dims_v_e = SIZE(v, /DIMENSIONS) ; same size for e and v if n_elements(dims_wout) eq 2 then begin dims_wout = [dims_wout,1] dims_v_e = [dims_v_e ,1,1] endif if not Eok then e = 0 catch, stat if stat ne 0 then bid=0 else begin bid = CALL_EXTERNAL(SFdll, 'STR_proj', \$ n_elements(sk), ind, ik, ik1, j, Eok, \$ dims_wout[0], dims_wout[1], dims_wout[2], wout, Eout, Iweight, \$ dims_v_e[0], dims_v_e[1], dims_v_e[2], v, e, PA, PA1, \$ VALUE=[ 1,0,0,0,1,1, 1,1,1,0,0,0, 1,1,1,0,0,0,0], \$ /I_VALUE, /CDECL) endelse if (bid ne 1) then begin lamp_loop_so, /reset SFdll = '' endif endif else begin ;Use the IDL code for k = 0L, n_elements(sk)-1 do begin kk = ind[k] vv[*] = v[kk,*,*] if Eok then ee[*] = e[kk,*,*] wout[ik[ k], j ,*] += (vv*PA1[k]) wout[ik1[k], j ,*] += (vv*PA[ k]) if Eok then begin Eout[ik[ k], j ,*] += (ee*PA1[k]) ;Increase errors Eout[ik1[k], j ,*] += (ee*PA[ k]) endif Iweight[ik[ k]] += PA1[k] ;Calculate weights for integration Iweight[ik1[k]] += PA[ k] endfor endelse endelse ;end if keyword_set(txtr) else block endelse ;end if keyword_set(inter) else block if not keyword_set(integ) then begin if xdx[0] gt 0 then wout[0:xdx[0]-1 ,[floor(jof[0]) ,ceil(jof[0]) ],*] = -1E-9 ;No data if xdx[nxe] lt win_s1 then wout[xdx[nxe]+1:win_s1,[floor(jof[rc_s1]),ceil(jof[rc_s1])],*] = -1E-9 endif endif ;end if xdx[0]>0 block endfor ;end loop over h_pixels totIN = total(win[wzero,*,*]) `````` Didier Richard committed Dec 05, 2013 309 310 `````` if not keyword_set(integ) then begin `````` Gonzalez, Miguel committed Jun 28, 2019 311 312 313 314 315 316 `````` totIDM = totIN / total(Wout) ;Keep same count Wout = temporary(Wout) * totIDM Eout = temporary(Eout) * totIDM if Eok then datp.e = Eout if pasp then if (regu or Eok) then give_datp, datp return, Wout `````` Didier Richard committed Dec 05, 2013 317 318 319 320 ``````endif v=0 & e=0 & vv=0 & ee=0 & sk=0 & ik=0 & ik1=0 & PA=0 & PA1=0 ;FREEs `````` Gonzalez, Miguel committed Jun 28, 2019 321 322 323 ``````if keyword_set(verbose) then print, 'Total time = ', round((systime(1)-st1)*100)/100., ' s' if keyword_set(verbose) then wait, 0.01 `````` Didier Richard committed Dec 05, 2013 324 ``````;sum over the height to output 1d array `````` Gonzalez, Miguel committed Jun 28, 2019 325 326 ``````media = median(Iweight)>1. Iweight = media/(Iweight>2.) `````` Didier Richard committed Dec 05, 2013 327 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 328 329 ``````Wout_1d = reform(total(wout,2)) WOUT=0 ;FREEs `````` Didier Richard committed Dec 05, 2013 330 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 331 ``````for z=0,kz do Wout_1d[*,z] *= Iweight `````` Didier Richard committed Dec 05, 2013 332 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 333 334 ``````totIDM = totIN / total(Wout_1d) ;Keep same count Wout_1d = temporary(Wout_1d) * totIDM `````` Didier Richard committed Dec 05, 2013 335 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 336 337 338 339 340 ``````if Eok then begin Eout_1d = reform(sqrt(total(Eout^2,2))) EOUT=0 ;FREEs for z=0,kz do Eout_1d[*,z] *= (Iweight * totIDM) endif `````` Didier Richard committed Dec 05, 2013 341 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 ``````wout_1d = wout_1d[wzero,*] if Eok then Eout_1d = Eout_1d[wzero,*] else Eout_1d = sqrt(wout_1d/n_acc_sc) mod_datp, datp,'e', Eout_1d mod_datp, datp,'x', XX[wzero] szz = size(datp.z) if szz[0] eq 2 then mod_datp, datp, 'y', reform(datp.z,szz[1]*szz[2]) \$ else mod_datp, datp, 'y', datp.z syy=size(datp.y) if syy[0] eq 1 then if datp.y[0] eq datp.y[syy[1]-1] then mod_datp, datp, 'y', findgen(syy[1])+1. if (size(wout_1d))[0] eq 2 then begin mod_datp, datp, 'y', datp.z datp.y_tit = datp.z_tit endif if (size(wout_1d))[0] eq 1 then datp.y_tit='Integrations' `````` Didier Richard committed Dec 05, 2013 357 `````` `````` Gonzalez, Miguel committed Jun 28, 2019 358 ``````if pasp then give_datp, datp `````` Didier Richard committed Dec 05, 2013 359 360 361 362 `````` return, wout_1d end``````