Script execution

This commit is contained in:
gac-x04sa
2018-10-31 16:25:37 +01:00
parent 97cd7cdde7
commit 958e65f3bc
+7 -56
View File
@@ -1,7 +1,7 @@
###################################################################################################\
#Geometry
###################################################################################################
set_geometry("fourcv", True)
###################################################################################################\
#Orientation
@@ -37,27 +37,22 @@ Lambda = 1.305
"""
#help(ub.ub)
#ub.listub()
ub.newub('test')
ub.setub([[ 0.81374, 0.02138, 0.00228], [-0.02199, 0.81543, 0.00123], [ 0.00784, -0.00100, 0.81347]])
#ub.setub([[ 0.81374, 0.02138, 0.00228], [-0.02199, 0.81543, 0.00123], [ 0.00784, -0.00100, 0.81347]])
"""
ub.setlat('cubic', 7.723, 7.707, 7.723, 90.0, 89.265, 90.0)
en = 9.5
#ub.addref([0, 0, 2], [9.78, 9.749, 19.586, 93.1159], en)
#en = 9.5
en = 12.4 #!!!!!
#"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.ub()
#ub.trialub()
#ub.calcub()
ub.ub()
ub.checkub()
###################################################################################################\
#Constraints
###################################################################################################
@@ -66,47 +61,3 @@ print hkl_to_angles(0, 1, 2)
print hkl_to_angles(2, 2, 2)
print hkl_to_angles(2, 0, 2)
"""
ub.newub('test')
ub.setlat('cubic', 7.723, 7.707, 7.723, 90.0, 89.265, 90.0)
en = 9.5
#ub.addref([0, 0, 2], [9.78, 9.749, 19.586, 93.1159], en)
#"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.ub()
ub.checkub()
hkl.con('a_eq_b')
print hkl_to_angles(0, 1, 2)
print hkl_to_angles(2, 2, 2)
print hkl_to_angles(2, 0, 2)
"""
ub.listub()
ub.newub('test')
ub.setlat('cubic', 1.305, 1.305, 1.305, 90, 90, 90)
en = 9.5
ub.addref([0, 0, 1], [30.0, 0.0, 60.0, 0.0], en)
ub.addref([1, 0, 1], [20.0, 45.5564,90.000, 44.4437], en)
ub.ub()
ub.checkub()
hkl.con('a_eq_b')
print hkl_to_angles(0, 1, 2)
print hkl_to_angles(2, 2, 2)
print hkl_to_angles(2, 0, 2)