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gobbo_a
2019-03-20 13:52:00 +01:00
parent 3084fe0510
commit 5db0f78aee
910 changed files with 191152 additions and 322 deletions
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script/__Lib/diffcalc_old/test/ref/b16_dif_270608_printout_for_SixCircleGammaOnArmTestAgainstDif.txt Normal file
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###
# Copyright 2008-2011 Diamond Light Source Ltd.
# This file is part of Diffcalc.
#
# Diffcalc is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# Diffcalc is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with Diffcalc. If not, see <http://www.gnu.org/licenses/>.
###
#!Go to lattice menu to set lattice parameters
#lattice
#a1 3.840100
#a2 3.840100
#a3 5.430720
#a4 90.000000
#a5 90.000000
#a6 90.000000
#compute return
#!Go to fixed parameter menu to set parameters
#fixed
#alpha 0
#gamma 0.000000
#incoming 0
#outgoing 0
#h_crystal 0.000000
#k_crystal 0.000000
#l_crystal 1.000000
#wave 5.067085
#mirror 1
#return
#!Go to circle limits menu
#limits
#alpha -2.1430 27.8570
#delta -2.3070 125.0000
#gamma -50.0000 50.0000
#omega -185.0000 30.0000
#chi -14.0000 14.0000
#phi -400.0000 400.0000
#return
#!Go to orientation menu to set parameters
#orient
#sigma -1.350000 # zeroed for some
#tau -106.000000 #zeroed for some
#surfhkl -4.86513e-03 1.67605e-04 8.64299e-01 #zeroed for some
#input
#orient 1 1.000 0.000 1.0628
# 5.000 22.790 0.000 1.552 22.400 14.255
#orient 2 0.000 1.000 1.0628
# 5.000 22.790 0.000 4.575 24.275 101.320
#DIF.ORIENT>li
# 0.997161 -0.062217 0.042420
# U = 0.062542 0.998022 -0.006371
# -0.041940 0.009006 0.999080
#
#sigma = 0.0000
#tau = 0.0000
#Surface normal in hkl frame = (0.000e+00,0.000e+00,1.000e+00)
#DIF.FIX>li
#alpha = 0.0000
#gamma = 0.0000
#beta_in = 8.0000
#beta_out = 1.0000
#wavevector = 5.0671 <=> lambda = 1.2400
#mirror = +1
#h_crystal = 0.0000
#k_crystal = 0.0000
#l_crystal = 1.0000
#DIF.MODE>li
#Incidence angle equals outgoing angle
#Alpha and gamma fixed
{1}
#DIF>cal .7 .9 1.3
#DEBUGFILE = difbug.txt*** SURFMODE = 1
#<<< entering angcal.do_hkl_to_angles >>>
# -> h,k,l = 0.700000 0.900000 1.300000
# -> alpha_fix = 0.000000
# -> gamma_fix = 0.000000
# -> difmode = 3
# -> BETMODE = 3
#<- beta_in = 0.145358
#<-delta_comp = 0.477448
#<- h_phi_norm:
# 0.464987 0.639188 0.612557
# - q_alpha_norm:
# 0.971641 -0.236463 0.000000
# -> a =
# 0.464987 0.639188 0.612557
# -> b =
# 0.971641 -0.236463 0.000000
# <- coxi = 0.300656
# <- xi = 1.265416
# - r0_matrix:
# 0.316787 0.797295 0.513776
# -0.664730 0.573015 -0.479361
# -0.676594 -0.189667 0.711510
# -> a =
# 0.971641 -0.236463 0.000000
# -> b =
# 1.000000 0.000000 0.000000
# <- coxi = 0.971641
# <- xi = 0.238724
# - t_matrix:
# 0.971641 -0.236463 0.000000
# 0.236463 0.971641 0.000000
# 0.000000 0.000000 1.000000
# - surf_norm_phi:
# 0.000000 -0.000000 1.000000
# - surf_psi:
# 0.612557 -0.344278 0.711510
# - v21=-0.236463 - v22=0.971641 - v23=0.000000 - a=-0.334514 - b=0.691332 - c=0.
#000000
# psi=0.450660←[0;1;33;44mWARNING, chi outside limits←[0;1;37;44m
# h k l alpha delta gamma omega chi phi
# 0.700 0.900 1.300 0.0000 27.3557 0.0000 13.6779 37.7746 53.9654
#
# beta_in beta_out rho eta twotheta
# 8.3284 8.3284 36.5258 0.1117 27.3557
{2}
#DIF.FIX>al
#Rotary table angle (if fixed): 5
#DIF.FIX>re
#DIF>calc .7 .9 1.3
#DEBUGFILE = difbug.txt*** SURFMODE = 1
#<<< entering angcal.do_hkl_to_angles >>>
# -> h,k,l = 0.700000 0.900000 1.300000
# -> alpha_fix = 0.087266
# -> gamma_fix = 0.000000
# -> difmode = 3
# -> BETMODE = 3
#<- beta_in = 0.145358
#<-delta_comp = 0.470011
#<- h_phi_norm:
# 0.464987 0.639188 0.612557
# - q_alpha_norm:
# 0.957647 -0.221243 0.184291
# -> a =
# 0.464987 0.639188 0.612557
# -> b =
# 0.957647 -0.221243 0.184291
# <- coxi = 0.416766
# <- xi = 1.140911
# - r0_matrix:
# 0.462060 0.804557 0.373079
# -0.625426 0.593875 -0.506117
# -0.628763 0.000523 0.777597
# -> a =
# 0.957647 -0.221243 0.184291
# -> b =
# 1.000000 0.000000 0.000000
# <- coxi = 0.957647
# <- xi = 0.292079
# - t_matrix:
# 0.957647 -0.221243 0.184291
# 0.221243 0.974996 0.020828
# -0.184291 0.020828 0.982651
# - surf_norm_phi:
# 0.000000 -0.000000 1.000000
# - surf_psi:
# 0.612557 -0.394726 0.684811
# - v21=-0.236463 - v22=0.969471 - v23=-0.064895 - a=-0.427116 - b=0.638288 - c=0
#.000000
# psi=0.589726←[0;1;33;44mWARNING, chi outside limits←[0;1;37;44m
# h k l alpha delta gamma omega chi phi
# 0.700 0.900 1.300 5.0000 26.9296 0.0000 8.4916 27.2563 59.5855
#
# beta_in beta_out rho eta twotheta
# 8.3284 8.3284 26.9332 0.1117 27.3557
{3}
#DIF>cal .7 .9 1.3
#DEBUGFILE = difbug.txt*** SURFMODE = 1
#<<< entering angcal.do_hkl_to_angles >>>
# -> h,k,l = 0.700000 0.900000 1.300000
# -> alpha_fix = 0.087266
# -> gamma_fix = 0.174533
# -> difmode = 3
# -> BETMODE = 3
#<- beta_in = 0.145358
#<-delta_comp = 0.400814
#<- h_phi_norm:
# 0.464987 0.639188 0.612557
# - q_alpha_norm:
# 0.812475 -0.189119 0.551469
# -> a =
# 0.464987 0.639188 0.612557
# -> b =
# 0.812475 -0.189119 0.551469
# <- coxi = 0.594714
# <- xi = 0.933886
# - r0_matrix:
# 0.732257 0.678116 0.062920
# -0.536408 0.631214 -0.560210
# -0.419603 0.376467 0.825958
# -> a =
# 0.812475 -0.189119 0.551469
# -> b =
# 1.000000 0.000000 0.000000
# <- coxi = 0.812475
# <- xi = 0.622411
# - t_matrix:
# 0.812475 -0.189119 0.551469
# 0.189119 0.980267 0.057542
# -0.551469 0.057542 0.832208
# - surf_norm_phi:
# 0.000000 -0.000000 1.000000
# - surf_psi:
# 0.612557 -0.489729 0.620435
# - v21=-0.236463 - v22=0.971522 - v23=-0.015209 - a=-0.485218 - b=0.595318 - c=0
#.000000
# psi=0.683855 h k l alpha delta gamma omega c
#hi phi
# 0.700 0.900 1.300 5.0000 22.9649 10.0000-137.7796 -4.9721 203.0655
#
# beta_in beta_out rho eta twotheta
# 8.3284 8.3284 3.6800 0.1117 27.3557
{4}
#DIF>fi
#DIF.FIX>li
#alpha = 5.0000
#gamma = 10.0000
#beta_in = 4.0000
#beta_out = 1.0000
#wavevector = 5.0671 <=> lambda = 1.2400
#mirror = +1
#h_crystal = 0.0000
#k_crystal = 0.0000
#l_crystal = 1.0000
#DIF.FIX>re
#DIF>mo
#DIF.MODE>li
#Fixed angle of incidence
#Alpha and gamma fixed
#DIF>calc .7 .9 1.3
#DEBUGFILE = difbug.txt*** SURFMODE = 1
#<<< entering angcal.do_hkl_to_angles >>>
# -> h,k,l = 0.700000 0.900000 1.300000
# -> alpha_fix = 0.087266
# -> gamma_fix = 0.174533
# -> difmode = 3
# -> BETMODE = 123
#<- beta_in = 0.069813
#<-delta_comp = 0.400814
#<- h_phi_norm:
# 0.464987 0.639188 0.612557
# - q_alpha_norm:
# 0.812475 -0.189119 0.551469
# -> a =
# 0.464987 0.639188 0.612557
# -> b =
# 0.812475 -0.189119 0.551469
# <- coxi = 0.594714
# <- xi = 0.933886
# - r0_matrix:
# 0.732257 0.678116 0.062920
# -0.536408 0.631214 -0.560210
# -0.419603 0.376467 0.825958
# -> a =
# 0.812475 -0.189119 0.551469
# -> b =
# 1.000000 0.000000 0.000000
# <- coxi = 0.812475
# <- xi = 0.622411
# - t_matrix:
# 0.812475 -0.189119 0.551469
# 0.189119 0.980267 0.057542
# -0.551469 0.057542 0.832208
# - surf_norm_phi:
# 0.000000 -0.000000 1.000000
# - surf_psi:
# 0.612557 -0.489729 0.620435
# - v21=-0.236463 - v22=0.971522 - v23=-0.015209 - a=-0.485218 - b=0.595318 - c=0
#.075090
# psi=0.781784 h k l alpha delta gamma omega c
#hi phi
# 0.700 0.900 1.300 5.0000 22.9649 10.0000 -11.8850 4.7799 80.4416
#
# beta_in beta_out rho eta twotheta
# 4.0000 12.7054 4.6772 0.1866 27.3557
{5}
DIF>or
DIF.ORIENT>li
0.997161 -0.062217 0.042420
U = 0.062542 0.998022 -0.006371
-0.041940 0.009006 0.999080
sigma = -1.3500
tau = -106.0000
Surface normal in hkl frame = (0.000e+00,0.000e+00,0.000e+00)
DIF.ORIENT>fi
←[0;1;33;44mERROR, command "fi" not recognized←[0;1;37;44m
DIF.ORIENT>re
DIF>fi
DIF.FIX>li
alpha = 5.0000
gamma = 10.0000
beta_in = 4.0000
beta_out = 1.0000
wavevector = 5.0671 <=> lambda = 1.2400
mirror = +1
h_crystal = 0.0000
k_crystal = 0.0000
l_crystal = 1.0000
Incidence angle equals outgoing angle
Alpha and gamma fixed
DIF.MODE>re
DIF>calc .7 .9 1.3
DEBUGFILE = difbug.txt*** SURFMODE = 1
<<< entering angcal.do_hkl_to_angles >>>
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.174533
-> difmode = 3
-> BETMODE = 3
<- beta_in = 0.142580
<-delta_comp = 0.400814
<- h_phi_norm:
0.464987 0.639188 0.612557
- q_alpha_norm:
0.812475 -0.189119 0.551469
-> a =
0.464987 0.639188 0.612557
-> b =
0.812475 -0.189119 0.551469
<- coxi = 0.594714
<- xi = 0.933886
- r0_matrix:
0.732257 0.678116 0.062920
-0.536408 0.631214 -0.560210
-0.419603 0.376467 0.825958
-> a =
0.812475 -0.189119 0.551469
-> b =
1.000000 0.000000 0.000000
<- coxi = 0.812475
<- xi = 0.622411
- t_matrix:
0.812475 -0.189119 0.551469
0.189119 0.980267 0.057542
-0.551469 0.057542 0.832208
- surf_norm_phi:
0.006494 -0.022647 0.999722
- surf_psi:
0.600931 -0.509673 0.615724
- v21=-0.236463 - v22=0.971522 - v23=-0.015209 - a=-0.504523 - b=0.590437 - c=0
.000000
psi=0.707095 h k l alpha delta gamma omega c
hi phi
0.700 0.900 1.300 5.0000 22.9649 10.0000 30.6586 4.5295 35.4036
beta_in beta_out rho eta twotheta
8.1693 8.1693 2.8586 0.1294 27.3557
{6}
Fixed angle of incidence
Alpha and gamma fixed
DIF.MODE>re
DIF>calc .7 .9 1.3
DEBUGFILE = difbug.txt*** SURFMODE = 1
<<< entering angcal.do_hkl_to_angles >>>
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.174533
-> difmode = 3
-> BETMODE = 123
<- beta_in = 0.104720
<-delta_comp = 0.400814
<- h_phi_norm:
0.464987 0.639188 0.612557
- q_alpha_norm:
0.812475 -0.189119 0.551469
-> a =
0.464987 0.639188 0.612557
-> b =
0.812475 -0.189119 0.551469
<- coxi = 0.594714
<- xi = 0.933886
- r0_matrix:
0.732257 0.678116 0.062920
-0.536408 0.631214 -0.560210
-0.419603 0.376467 0.825958
-> a =
0.812475 -0.189119 0.551469
-> b =
1.000000 0.000000 0.000000
<- coxi = 0.812475
<- xi = 0.622411
- t_matrix:
0.812475 -0.189119 0.551469
0.189119 0.980267 0.057542
-0.551469 0.057542 0.832208
- surf_norm_phi:
0.006494 -0.022647 0.999722
- surf_psi:
0.600931 -0.509673 0.615724
- v21=-0.236463 - v22=0.971522 - v23=-0.015209 - a=-0.504523 - b=0.590437 - c=0
.037569
psi=0.755489 h k l alpha delta gamma omega c
hi phi
0.700 0.900 1.300 5.0000 22.9649 10.0000 2.2388 4.3898 65.4395
beta_in beta_out rho eta twotheta
6.0000 10.3504 3.3267 0.1664 27.3557
{7}
DIF.FIX>re
DIF>calc .7 .9 1.3
DEBUGFILE = difbug.txt*** SURFMODE = 1
<<< entering angcal.do_hkl_to_angles >>>
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.174533
-> difmode = 3
-> BETMODE = 2
<- beta_in = 0.163048
<-delta_comp = 0.400814
<- h_phi_norm:
0.464987 0.639188 0.612557
- q_alpha_norm:
0.812475 -0.189119 0.551469
-> a =
0.464987 0.639188 0.612557
-> b =
0.812475 -0.189119 0.551469
<- coxi = 0.594714
<- xi = 0.933886
- r0_matrix:
0.732257 0.678116 0.062920
-0.536408 0.631214 -0.560210
-0.419603 0.376467 0.825958
-> a =
0.812475 -0.189119 0.551469
-> b =
1.000000 0.000000 0.000000
<- coxi = 0.812475
<- xi = 0.622411
- t_matrix:
0.812475 -0.189119 0.551469
0.189119 0.980267 0.057542
-0.551469 0.057542 0.832208
- surf_norm_phi:
0.006494 -0.022647 0.999722
- surf_psi:
0.600931 -0.509673 0.615724
- v21=-0.236463 - v22=0.971522 - v23=-0.015209 - a=-0.504523 - b=0.590437 - c=-
0.020228
psi=0.681046 h k l alpha delta gamma omega c
hi phi
0.700 0.900 1.300 5.0000 22.9649 10.0000 43.4628 5.0387 21.7292
beta_in beta_out rho eta twotheta
9.3419 7.0000 2.6310 0.1095 27.3557
{8}
8.1693 8.1693 0.0000 0.1294 27.3557
DIF>mo
DIF.MODE>li
Incidence angle equals outgoing angle
Out-of-plane angle (gamma) fixed
Surface normal horizontal
DIF.MODE>re
DIF>fi
DIF.FIX>li
alpha = 5.0000
gamma = 10.0000
beta_in = 8.0000
beta_out = 1.0000
wavevector = 5.0671 <=> lambda = 1.2400
mirror = +1
h_crystal = 0.0000
k_crystal = 0.0000
l_crystal = 1.0000
DIF.FIX>re
DIF>or
DIF.ORIENT>li
0.997161 -0.062217 0.042420
U = 0.062542 0.998022 -0.006371
-0.041940 0.009006 0.999080
sigma = -1.3500
tau = -106.0000
Surface normal in hkl frame = (0.000e+00,0.000e+00,0.000e+00)
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.174533
-> difmode = 2
-> BETMODE = 3
- beta_in = 0.142580
-> a =
0.006494 -0.022647 0.999722
-> b =
0.000000 -0.142098 0.989853
<- coxi = 0.992796
<- xi = 0.120106
-delta_comp = 0.386317
- h_phi_norm:
0.464987 0.639188 0.612557
- q_alpha_norm:
0.784595 -0.173246 0.595312
-> a =
0.464987 0.639188 0.612557
-> b =
0.784595 -0.173246 0.595312
<- coxi = 0.618753
<- xi = 0.903642
- r0_matrix:
0.765049 0.643327 0.028814
-0.520794 0.644410 -0.559919
-0.378779 0.413359 0.828046
-> a =
0.784595 -0.173246 0.595312
-> b =
1.000000 0.000000 0.000000
<- coxi = 0.784595
<- xi = 0.668754
- t_matrix:
0.784595 -0.173246 0.595312
0.173246 0.983182 0.057792
-0.595312 0.057792 0.801413
- surf_norm_phi:
0.006494 -0.022647 0.999722
- surf_psi:
0.600931 -0.517538 0.609128
- v21=-0.236463 - v22=0.971207 - v23=-0.029010 - a=-0.520308 - b=0.576575 - c=-
.000000
psi=0.734145 h k l alpha delta gamma omega c
i phi
0.700 0.900 1.300 6.1937 22.1343 10.0000 46.9523 1.5102 18.8112
beta_in beta_out rho eta twotheta
8.1693 8.1693 0.0000 0.1294 27.3557
{9}
DIF>mo
DIF.MODE>li
Incidence angle equals outgoing angle
Rotary table (alpha) fixed
Surface normal horizontal
DIF.MODE>re
DIF>fi
DIF.FIX>li
alpha = 5.0000
gamma = 10.0000
beta_in = 8.0000
beta_out = 1.0000
wavevector = 5.0671 <=> lambda = 1.2400
mirror = +1
h_crystal = 0.0000
k_crystal = 0.0000
l_crystal = 1.0000
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.174533
-> difmode = 123
-> BETMODE = 3
- beta_in = 0.142580
-> a =
0.006494 -0.022647 0.999722
-> b =
0.000000 -0.142098 0.989853
<- coxi = 0.992796
<- xi = 0.120106
-delta_comp = 0.387782
- h_phi_norm:
0.464987 0.639188 0.612557
- q_alpha_norm:
0.784595 -0.185610 0.591574
-> a =
0.464987 0.639188 0.612557
-> b =
0.784595 -0.185610 0.591574
<- coxi = 0.608560
<- xi = 0.916552
- r0_matrix:
0.758937 0.650653 0.025810
-0.524967 0.634822 -0.566931
-0.385260 0.416716 0.823361
-> a =
0.784595 -0.185610 0.591574
-> b =
1.000000 0.000000 0.000000
<- coxi = 0.784595
<- xi = 0.668754
- t_matrix:
0.784595 -0.185610 0.591574
0.185610 0.980695 0.061528
-0.591574 0.061528 0.803900
- surf_norm_phi:
0.006494 -0.022647 0.999722
- surf_psi:
0.600931 -0.520396 0.606688
- v21=-0.236463 - v22=0.971601 - v23=-0.008771 - a=-0.510938 - b=0.584895 - c=0
000000
psi=0.718011 h k l alpha delta gamma omega c
i phi
0.700 0.900 1.300 5.0000 22.2183 11.1054 65.8276 2.5180 -0.0749
beta_in beta_out rho eta twotheta
8.1693 8.1693 -0.0000 0.1294 27.3557
{10}
DIF.MODE>Zaxis
DIF.MODE>li
Incidence angle equals outgoing angle
Z-axis mode
Surface normal horizontal
DIF.MODE>re
DIF>fi
DIF.FIX>li
alpha = 5.0000
gamma = 10.0000
beta_in = 8.0000
beta_out = 1.0000
wavevector = 5.0671 <=> lambda = 1.2400
mirror = +1
h_crystal = 0.0000
k_crystal = 0.0000
l_crystal = 1.0000
DIF>calc .7 .9 1.3
DEBUGFILE = difbug.txt*** SURFMODE = 1
<<< entering angcal.do_hkl_to_angles >>>
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.174533
-> difmode = 4
-> BETMODE = 3<-delta_comp = 0.384244
h k l alpha delta gamma omega chi phi
0.700 0.900 1.300 8.1693 22.0156 8.1693 -40.2188 1.3500 106.0000
beta_in beta_out rho eta twotheta
8.1693 8.1693 -0.0000 0.1294 27.3557
{11}
DIF>mo
DIF.MODE>in
DIF.MODE>re
DIF>calc .7 .9 1.3
DEBUGFILE = difbug.txt*** SURFMODE = 1
<<< entering angcal.do_hkl_to_angles >>>
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.000000
-> difmode = 4
-> BETMODE = 123<-delta_comp = 0.384245
h k l alpha delta gamma omega chi phi
0.700 0.900 1.300 8.0000 22.0156 8.3386 -40.0939 1.3500 106.0000
beta_in beta_out rho eta twotheta
8.0000 8.3386 -0.0000 0.1322 27.3557
{12}
DIF>mo
DIF.MODE>out
DIF.MODE>re
DIF>calc .7 .9 1.3
DEBUGFILE = difbug.txt*** SURFMODE = 1
<<< entering angcal.do_hkl_to_angles >>>
-> h,k,l = 0.700000 0.900000 1.300000
-> alpha_fix = 0.087266
-> gamma_fix = 0.000000
-> difmode = 4
-> BETMODE = 2<-delta_comp = 0.385708
h k l alpha delta gamma omega chi phi
0.700 0.900 1.300 15.4706 22.0994 1.0000 -45.5521 1.3500 106.0000
beta_in beta_out rho eta twotheta
15.4706 1.0000 -0.0000 0.0079 27.3557

198
script/__Lib/diffcalc_old/test/ref/i16_reference_results.txt Normal file
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###
# Copyright 2008-2011 Diamond Light Source Ltd.
# This file is part of Diffcalc.
#
# Diffcalc is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# Diffcalc is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with Diffcalc. If not, see <http://www.gnu.org/licenses/>.
###
reffile('cubic')
latt([1,1,1,90,90,90])
pos mywl 1
c2th([0,0,1])
#60
pos euler [1 1 30 0 60 0] # delta + gam not moved
pos delta 60
pos gam 0
saveref('100',[1, 0, 0])
pos chi 91 <-->
saveref('001',[0, 0, 1]) ; showref()
ubm('100','001')
# array('d', [0.9996954135095477, -0.01745240643728364, -0.017449748351250637, 0.01744974835125045, 0.9998476951563913, -0.0003045864904520898, 0.017452406437283505, -1.1135499981271473e-16, 0.9998476951563912])
############################################################################################
mode euler 1
scan mywl .9 1.1 .02 hkl [1 0 0] euler psi
#0.900000 1.0000 0.0000 -0.0000 1.0000 1.0000 26.744 0.0000 53.487 0.0000 90.000
#0.920000 1.0000 0.0000 -0.0000 1.0000 1.0000 27.387 0.0000 54.774 0.0000 90.000
#0.940000 1.0000 -0.0000 -0.0000 1.0000 1.0000 28.034 0.0000 56.069 0.0000 90.000
#0.960000 1.0000 0.0000 -0.0000 1.0000 1.0000 28.685 0.0000 57.371 0.0000 90.000
#0.980000 1.0000 -0.0000 -0.0000 1.0000 1.0000 29.341 0.0000 58.681 0.0000 90.000
#1.000000 1.0000 -0.0000 -0.0000 1.0000 1.0000 30.000 0.0000 60.000 0.0000 90.000
#1.020000 1.0000 -0.0000 -0.0000 1.0000 1.0000 30.664 0.0000 61.328 0.0000 90.000
#1.040000 1.0000 0.0000 -0.0000 1.0000 1.0000 31.332 0.0000 62.665 0.0000 90.000
#1.060000 1.0000 -0.0000 -0.0000 1.0000 1.0000 32.005 0.0000 64.011 0.0000 90.000
#1.080000 1.0000 0.0000 -0.0000 1.0000 1.0000 32.684 0.0000 65.367 0.0000 90.000
#1.100000 1.0000 0.0000 -0.0000 1.0000 1.0000 33.367 0.0000 66.734 0.0000 90.000
pos mywl 2
pos hkl [0 1 0]
psi()
# 179.00
pos hkl [0 0 1]
psi()
# 90.000
pos hkl [1 0 0]
#Warning::Vector and Azimuthal reference //, azimuthal reference not used
#Move completed: hkl : h: 1.0000 k: 0.0000 l: -0.0000
psi()
90.000
pos mywl 2
mode euler 2
scan phi -19 21 2 hkl [0 0 1] euler
#Writing data to file:/home/zrb13439/gda/dev/config-i16/users_test/data/4.dat
# value h k l phi chi eta mu delta gamma
#-19.000 0.0000 0.0000 1.0000 -19.000 90.940 29.658 0.0000 60.000 0.0000
#-17.000 -0.0000 0.0000 1.0000 -17.000 90.951 29.691 0.0000 60.000 0.0000
#-15.000 -0.0000 0.0000 1.0000 -15.000 90.961 29.724 0.0000 60.000 0.0000
#-13.000 0.0000 -0.0000 1.0000 -13.000 90.970 29.758 0.0000 60.000 0.0000
#-11.000 -0.0000 -0.0000 1.0000 -11.000 90.978 29.792 0.0000 60.000 0.0000
#-9.0000 -0.0000 -0.0000 1.0000 -9.0000 90.985 29.826 0.0000 60.000 0.0000
#-7.0000 0.0000 0.0000 1.0000 -7.0000 90.990 29.861 0.0000 60.000 0.0000
#-5.0000 -0.0000 0.0000 1.0000 -5.0000 90.995 29.895 0.0000 60.000 0.0000
#-3.0000 -0.0000 -0.0000 1.0000 -3.0000 90.998 29.930 0.0000 60.000 0.0000
#-1.0000 0.0000 0.0000 1.0000 -1.0000 90.999 29.965 0.0000 60.000 0.0000
#1.0000 0.0000 0.0000 1.0000 1.0000 91.000 30.000 0.0000 60.000 0.0000
#3.0000 0.0000 -0.0000 1.0000 3.0000 90.999 30.035 0.0000 60.000 0.0000
#5.0000 -0.0000 -0.0000 1.0000 5.0000 90.998 30.070 0.0000 60.000 0.0000
#7.0000 -0.0000 0.0000 1.0000 7.0000 90.995 30.105 0.0000 60.000 0.0000
#9.0000 -0.0000 0.0000 1.0000 9.0000 90.990 30.139 0.0000 60.000 0.0000
#11.000 -0.0000 0.0000 1.0000 11.000 90.985 30.174 0.0000 60.000 0.0000
#13.000 -0.0000 -0.0000 1.0000 13.000 90.978 30.208 0.0000 60.000 0.0000
#15.000 0.0000 0.0000 1.0000 15.000 90.970 30.242 0.0000 60.000 0.0000
#17.000 0.0000 -0.0000 1.0000 17.000 90.961 30.276 0.0000 60.000 0.0000
#19.000 -0.0000 0.0000 1.0000 19.000 90.951 30.309 0.0000 60.000 0.0000
#21.000 0.0000 -0.0000 1.0000 21.000 90.940 30.342 0.0000 60.000 0.0000
scan phi -19 21 2 hkl [0 0 1] euler psi
#Writing data to file:/home/zrb13439/gda/dev/config-i16/users_test/data/16.dat
# value h k l phi chi eta mu delta gamma value
#-19.000 0.0000 0.0000 1.0000 -19.000 90.940 29.658 0.0000 60.000 0.0000 -70.003
#-17.000 -0.0000 0.0000 1.0000 -17.000 90.951 29.691 0.0000 60.000 0.0000 -72.003
#-15.000 -0.0000 0.0000 1.0000 -15.000 90.961 29.724 0.0000 60.000 0.0000 -74.002
#-13.000 0.0000 -0.0000 1.0000 -13.000 90.970 29.758 0.0000 60.000 0.0000 -76.002
#-11.000 -0.0000 -0.0000 1.0000 -11.000 90.978 29.792 0.0000 60.000 0.0000 -78.002
#-9.0000 -0.0000 -0.0000 1.0000 -9.0000 90.985 29.826 0.0000 60.000 0.0000 -80.001
#-7.0000 0.0000 0.0000 1.0000 -7.0000 90.990 29.861 0.0000 60.000 0.0000 -82.001
#-5.0000 -0.0000 0.0000 1.0000 -5.0000 90.995 29.895 0.0000 60.000 0.0000 -84.001
#-3.0000 -0.0000 -0.0000 1.0000 -3.0000 90.998 29.930 0.0000 60.000 0.0000 -86.001
#-1.0000 0.0000 0.0000 1.0000 -1.0000 90.999 29.965 0.0000 60.000 0.0000 -88.000
#1.0000 0.0000 0.0000 1.0000 1.0000 91.000 30.000 0.0000 60.000 0.0000 -90.000
#3.0000 0.0000 -0.0000 1.0000 3.0000 90.999 30.035 0.0000 60.000 0.0000 -92.000
#5.0000 -0.0000 -0.0000 1.0000 5.0000 90.998 30.070 0.0000 60.000 0.0000 -93.999
#7.0000 -0.0000 0.0000 1.0000 7.0000 90.995 30.105 0.0000 60.000 0.0000 -95.999
#9.0000 -0.0000 0.0000 1.0000 9.0000 90.990 30.139 0.0000 60.000 0.0000 -97.999
#11.000 -0.0000 0.0000 1.0000 11.000 90.985 30.174 0.0000 60.000 0.0000 -99.999
#13.000 -0.0000 -0.0000 1.0000 13.000 90.978 30.208 0.0000 60.000 0.0000 -102.00
#15.000 0.0000 0.0000 1.0000 15.000 90.970 30.242 0.0000 60.000 0.0000 -104.00
#17.000 0.0000 -0.0000 1.0000 17.000 90.961 30.276 0.0000 60.000 0.0000 -106.00
#19.000 -0.0000 0.0000 1.0000 19.000 90.951 30.309 0.0000 60.000 0.0000 -108.00
#21.000 0.0000 -0.0000 1.0000 21.000 90.940 30.342 0.0000 60.000 0.0000 -110.00
####################################################################################
mode euler 3
scan psic -19 21 2 hkl [0 0 1] euler psi
#Writing data to file:/home/zrb13439/gda/dev/config-i16/users_test/data/18.dat
#value h k l phi chi eta mu delta gamma value
# -19 0.0000 -0.0000 1.0000 -70.003 90.326 29.054 0.0000 60.000 0.0000 -19.000
#-17.000 0.0000 -0.0000 1.0000 -72.002 90.292 29.044 0.0000 60.000 0.0000 -17.000
#-15.000 0.0000 -0.0000 1.0000 -74.002 90.259 29.034 0.0000 60.000 0.0000 -15.000
#-13.000 -0.0000 -0.0000 1.0000 -76.002 90.225 29.026 0.0000 60.000 0.0000 -13.000
#-11.000 -0.0000 -0.0000 1.0000 -78.002 90.191 29.018 0.0000 60.000 0.0000 -11.000
#-9.0000 -0.0000 0.0000 1.0000 -80.001 90.156 29.012 0.0000 60.000 0.0000 -9.0000
#-7.0000 0.0000 0.0000 1.0000 -82.001 90.122 29.007 0.0000 60.000 0.0000 -7.0000
#-5.0000 0.0000 -0.0000 1.0000 -84.001 90.087 29.004 0.0000 60.000 0.0000 -5.0000
#-3.0000 -0.0000 0.0000 1.0000 -86.000 90.052 29.001 0.0000 60.000 0.0000 -3.0000
#-1.0000 -0.0000 0.0000 1.0000 -88.000 90.017 29.000 0.0000 60.000 0.0000 -1.0000
#1.0000 0.0000 -0.0000 1.0000 -90.000 89.983 29.000 0.0000 60.000 0.0000 1.0000
#3.0000 -0.0000 -0.0000 1.0000 268.00 89.948 29.001 0.0000 60.000 0.0000 3.0000
#5.0000 0.0000 -0.0000 1.0000 266.00 89.913 29.004 0.0000 60.000 0.0000 5.0000
#7.0000 0.0000 0.0000 1.0000 264.00 89.878 29.007 0.0000 60.000 0.0000 7.0000
#9.0000 -0.0000 -0.0000 1.0000 262.00 89.844 29.012 0.0000 60.000 0.0000 9.0000
#11.000 0.0000 0.0000 1.0000 260.00 89.809 29.018 0.0000 60.000 0.0000 11.000
#13.000 -0.0000 0.0000 1.0000 258.00 89.775 29.026 0.0000 60.000 0.0000 13.000
#15.000 -0.0000 0.0000 1.0000 256.00 89.741 29.034 0.0000 60.000 0.0000 15.000
#17.000 0.0000 -0.0000 1.0000 254.00 89.708 29.044 0.0000 60.000 0.0000 17.000
#19.000 0.0000 -0.0000 1.0000 252.00 89.674 29.054 0.0000 60.000 0.0000 19.000
#21.000 -0.0000 -0.0000 1.0000 250.00 89.642 29.066 0.0000 60.000 0.0000 21.000
#Scan complete.
##########################################################################################
# Move gamma and mu and read back hkl positions
mode euler 1
pos hkl [1 0 0]
#Warning::Vector and Azimuthal reference //, azimuthal reference not used
#Move completed: hkl : h: 1.0000 k: -0.0000 l: -0.0000
hkl()
#[0.9999999999999998, -3.8988661640799736e-17, -1.457167719820518e-16]
euler()
#[0.9999999999999994, 0.9999999999999912, 30.000000000000007, 0.0, 60.00000000000001, 0.0]
pos gam 10
euler()
#[0.9999999999999994, 0.9999999999999912, 30.000000000000007, 0.0, 60.00000000000001, 10.0]
hkl()
#[1.0037980617469482, -0.006578435915997894, 0.08682408883346501]
>>>pos mu 10
Move completed: mu : 10.000
>>>hkl()
[0.996201938253052, 0.006578435915997645, 0.08682408883346503]
# arbitrary position:
>>>euler()
[1.9, 2.9, 30.9, 0.9, 60.9, 2.9]
>>>hkl()
[1.0117418909164064, 0.02368622807445844, 0.06627361269425353]
>>>az.getAzimuthalReference().array
array([D, [array('d', [1.0]), array('d', [0.0]), array('d', [0.0])])
>>>az.calcN_L()
[0.8494223227931345, -0.5260858416846694, -0.04141744462963532]
>>>az.calcPsi()
[-109.75394072042344, -109.7539407204235]
>>>az.getAlpha()
31.741370382777166
>>>az.getBeta()
29.055463912559212
>>>az.getPhi_az()
-87.20849481167566
>>>az.calcPsi()
[-109.75394072042344, -109.7539407204235]
>>>az.getTau()
0.06945050942570621

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