Script execution

This commit is contained in:
gac-x04sa
2019-02-11 09:18:52 +01:00
parent 60a3290dfd
commit 90dbb16e06
+16 -36
View File
@@ -13,6 +13,12 @@ hkl.con('a_eq_b')
#hkl.con( 'eta', 0) #alpha constant
setup_axis(alpha, alpha.getMinValue(), alpha.getMaxValue())
setup_axis(delta, delta.getMinValue(), 90) #delta.getMaxValue())
setup_axis(gamma, gamma.getMinValue(), gamma.getMaxValue())
setup_axis(omegaV, omegaV.getMinValue(), omegaV.getMaxValue())
###################################################################################################\
#Orientation
###################################################################################################
@@ -36,46 +42,20 @@ en = 9.5
ub.setmiscut(0)
#Only available in newer Diffcalc
#ub.setmiscut(0)
ub.ub()
#Calculated with newer Diffcalc
# UB matrix: 0.81363 0.00000 -0.01044
# 0.00000 0.81526 0.00000
# 0.00000 0.00000 0.81357
ub.setub([[ 0.81363, 0.00000, -0.01044], [0.00000, 0.81526, 0.00000], [0.00000, 0.00000, 0.81357]])
#ub.ub()
ub.checkub()
calc_ub = get_ub_matrix()
#print angles_to_hkl((44.3400, 0.0000, 123.7322 , 0.0))[0]
hkl_to_angles(0, 1, 2)[0]
"""
#"mu", "delta", "gam", "eta"
#ub.addref([0, 1, 2], [9.7280, 9.7490, 19.5860, 93.1159], en)
#ub.addref([2, 2, 2], [9.6050, 27.7006, 20.9322 , 57.7252], en)
#ub.addref([2, 0, 2], [9.6023 , 19.4996, 20.2618 , 8.6687], en)
ub.addref([0, 1, 2], [ 9.7212 , 9.7488 , 19.5860, 93.1295], en)
ub.addref([2, 2, 2], [ 9.8097 , 27.7194 , 20.9065 , 57.5840], en)
ub.addref([2, 0, 2], [9.8217 , 19.5132 , 20.2488 , 8.4510], en)
ub.ub()
ub.checkub()
calc_ub = get_ub_matrix()
print hkl_to_angles(0, 1, 2)[0]
print hkl_to_angles(2, 2, 2)[0]
print hkl_to_angles(2, 0, 2)[0]
for r in orig_ub: print r
for r in calc_ub: print r
print "---"
print e
for i in range(3):
for j in range(3):
e[i][j] = abs(orig_ub[i][j] - calc_ub[i][j])
for r in e: print r
"""