diff --git a/script/geometry/fourcv-daq1.py b/script/geometry/fourcv-daq1.py index dc092a0..957294d 100644 --- a/script/geometry/fourcv-daq1.py +++ b/script/geometry/fourcv-daq1.py @@ -29,22 +29,19 @@ ub.listub() # Create a new ub calculation and set lattice parameters ub.newub('test') -""" -ub.setlat('cubic', 7.723, 7.723, 7.723, 90.0, 89.265, 90.0) +ub.setlat('tetragonal', 7.723, 7.707, 7.723, 90.0, 89.265, 90.0) #en = 12.4 en = 9.5 -ub.addref([0, 0, 2.055], [10.0, 0.0, 20.0, 0.0], en) -ub.addref([1, 0, 1], [20.0, 45.5564,90.000, 44.4437], en) -ub.addref([0, 1, 1], [20.0, 45.5564,90.000, 134.4437], en) +ub.addref([0, 0, 2], [9.78, 9.749, 19.586, 93.1159], en) -ub.ub() -""" -ub.setub([[0.81363,0.00000,0.00000], [-0.00000,0.81526,0.00000], [-0.01044,-0.00000,0.81357]]) +#ub.ub() + +#ub.setub([[0.81363,0.00000,0.00000], [-0.00000,0.81526,0.00000], [-0.01044,-0.00000,0.81357]]) # check the state - +ub.trialub() ub.checkub() @@ -52,12 +49,11 @@ ub.checkub() ###################################################################################################\ #Constraints ################################################################################################### -help(hkl.con) -#hkl.con('a_eq_b') +#help(hkl.con) +hkl.con('a_eq_b') + #hkl.con('eta:0') - - -hkl.con( 'eta', 0) #OmegaV constant +#hkl.con( 'eta', 0) #OmegaV constant #hkl.con( 'mu', 20) #Alpha constant