def correct_data(mydata, qscan=None):
mya = mydata.metadata['lattice']['a']
myb = mydata.metadata['lattice']['b']
myc = mydata.metadata['lattice']['c']
myalpha = N.radians(mydata.metadata['lattice']['alpha'])
mybeta = N.radians(mydata.metadata['lattice']['beta'])
mygamma = N.radians(mydata.metadata['lattice']['gamma'])
a = N.array(
[mya], dtype='float64'
) #for now, the code is broken if only one element in the array for indexing
b = N.array([myb], dtype='float64')
c = N.array([myc], dtype='float64')
alpha = N.array([myalpha], dtype='float64')
beta = N.array([mybeta], dtype='float64')
gamma = N.array([mygamma], dtype='float64')
#print mydata.metadata
h = mydata.metadata['orient1']['h']
k = mydata.metadata['orient1']['k']
l = mydata.metadata['orient1']['l']
orient1 = N.array([[h, k, l]], dtype='float64')
h = mydata.metadata['orient2']['h']
k = mydata.metadata['orient2']['k']
l = mydata.metadata['orient2']['l']
orient2 = N.array([[h, k, l]], dtype='float64')
orientation = rescalc.lattice_calculator.Orientation(orient1, orient2)
mylattice = rescalc.lattice_calculator.Lattice(a=a,
b=b,
c=c,
alpha=alpha,
beta=beta,
gamma=gamma,
orientation=orientation)
#h=q['h_center'] #perhaps just take this from the file in the future
#k=q['k_center']
#l=q['l_center']
h = mydata.metadata['q_center']['h_center']
k = mydata.metadata['q_center']['k_center']
l = mydata.metadata['q_center']['l_center']
H = N.array([h, h], dtype='float64')
K = N.array([k, k], dtype='float64')
L = N.array([l, l], dtype='float64')
W = N.array([0.0, 0.0], dtype='float64')
EXP = {}
EXP['ana'] = {}
EXP['ana']['tau'] = 'pg(002)'
EXP['mono'] = {}
EXP['mono']['tau'] = 'pg(002)'
EXP['ana']['mosaic'] = 60
EXP['mono']['mosaic'] = 60
EXP['sample'] = {}
EXP['sample']['mosaic'] = 30
EXP['sample']['vmosaic'] = 30
coll1 = mydata.metadata['collimations']['coll1']
coll2 = mydata.metadata['collimations']['coll2']
coll3 = mydata.metadata['collimations']['coll3']
coll4 = mydata.metadata['collimations']['coll4']
EXP['hcol'] = N.array([coll1, coll2, coll3, coll4], dtype='float64')
EXP['hcol'] = N.array([40, 47, 40, 200], dtype='float64')
EXP['vcol'] = N.array([120, 120, 120, 240], dtype='float64')
EXP['infix'] = -1 #positive for fixed incident energy
EXP['efixed'] = mydata.metadata['energy_info']['ef']
EXP['method'] = 0
setup = [EXP]
myrescal = rescalc.rescalculator(mylattice)
newinput=rescalc.lattice_calculator.CleanArgs(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,orient1=orient1,orient2=orient2,\
H=H,K=K,L=L,W=W,setup=setup)
neworientation = rescalc.lattice_calculator.Orientation(
newinput['orient1'], newinput['orient2'])
mylattice = rescalc.lattice_calculator.Lattice(a=newinput['a'],
b=newinput['b'],
c=newinput['c'],
alpha=newinput['alpha'],
beta=newinput['beta'],
gamma=newinput['gamma'],
orientation=neworientation)
myrescal.__init__(mylattice)
Q = myrescal.lattice_calculator.modvec(H, K, L, 'latticestar')
#print 'Q', Q
R0, RM = myrescal.ResMat(Q, W, setup)
#print 'RM '
#print RM.transpose()
#print 'R0 ',R0
#exit()
R0, RMS = myrescal.ResMatS(H, K, L, W, setup)
#myrescal.ResPlot(H, K, L, W, setup)
#print 'RMS'
#print RMS.transpose()[0]
#corrections=myrescal.calc_correction(H,K,L,W,setup,qscan=[[1,0,1],[1,0,1]])
corrections = myrescal.calc_correction(H, K, L, W, setup, qscan=qscan)
#print corrections
return corrections, Q[0]
def correct_data(mydata,qscan=None):
mya=mydata.metadata['lattice']['a']
myb=mydata.metadata['lattice']['b']
myc=mydata.metadata['lattice']['c']
myalpha=N.radians(mydata.metadata['lattice']['alpha'])
mybeta=N.radians(mydata.metadata['lattice']['beta'])
mygamma=N.radians(mydata.metadata['lattice']['gamma'])
a=N.array([mya],dtype='float64') #for now, the code is broken if only one element in the array for indexing
b=N.array([myb],dtype='float64')
c=N.array([myc],dtype='float64')
alpha=N.array([myalpha],dtype='float64')
beta=N.array([mybeta],dtype='float64')
gamma=N.array([mygamma],dtype='float64')
#print mydata.metadata
h=mydata.metadata['orient1']['h']
k=mydata.metadata['orient1']['k']
l=mydata.metadata['orient1']['l']
orient1=N.array([[h,k,l]],dtype='float64')
h=mydata.metadata['orient2']['h']
k=mydata.metadata['orient2']['k']
l=mydata.metadata['orient2']['l']
orient2=N.array([[h,k,l]],dtype='float64')
orientation=rescalc.lattice_calculator.Orientation(orient1,orient2)
mylattice=rescalc.lattice_calculator.Lattice(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,orientation=orientation)
#h=q['h_center'] #perhaps just take this from the file in the future
#k=q['k_center']
#l=q['l_center']
h=mydata.metadata['q_center']['h_center']
k=mydata.metadata['q_center']['k_center']
l=mydata.metadata['q_center']['l_center']
H=N.array([h,h],dtype='float64');
K=N.array([k,k],dtype='float64');
L=N.array([l,l],dtype='float64');
W=N.array([0.0,0.0],dtype='float64')
EXP={}
EXP['ana']={}
EXP['ana']['tau']='2axis'#'pg(002)'
#EXP['ana']['tau']='pg(002)'
EXP['mono']={}
EXP['mono']['tau']='pg(002)';
EXP['ana']['mosaic']=600.0#60
EXP['mono']['mosaic']=60
EXP['sample']={}
EXP['sample']['mosaic']=30
EXP['sample']['vmosaic']=30
coll1=mydata.metadata['collimations']['coll1']
coll2=mydata.metadata['collimations']['coll2']
coll3=mydata.metadata['collimations']['coll3']
coll4=mydata.metadata['collimations']['coll4']
EXP['hcol']=N.array([coll1,coll2,coll3,coll4],dtype='float64')
#EXP['hcol']=N.array([40, 47, 40, 200],dtype='float64')
EXP['hcol']=N.array([40, 47, 40, 200],dtype='float64')
EXP['vcol']=N.array([120, 120, 120, 240],dtype='float64')
EXP['infix']=-1 #positive for fixed incident energy
EXP['efixed']=mydata.metadata['energy_info']['ef']
EXP['method']=0
setup=[EXP]
myrescal=rescalc.rescalculator(mylattice)
newinput=rescalc.lattice_calculator.CleanArgs(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,orient1=orient1,orient2=orient2,\
H=H,K=K,L=L,W=W,setup=setup)
neworientation=rescalc.lattice_calculator.Orientation(newinput['orient1'],newinput['orient2'])
mylattice=rescalc.lattice_calculator.Lattice(a=newinput['a'],b=newinput['b'],c=newinput['c'],alpha=newinput['alpha'],
beta=newinput['beta'],gamma=newinput['gamma'],orientation=neworientation)
myrescal.__init__(mylattice)
Q=myrescal.lattice_calculator.modvec(H,K,L,'latticestar')
#print 'Q', Q
R0,RM=myrescal.ResMat(Q,W,setup)
#print 'RM '
#print RM.transpose()
#print 'R0 ',R0
#exit()
R0,RMS=myrescal.ResMatS(H,K,L,W,setup)
#myrescal.ResPlot(H, K, L, W, setup)
#print 'RMS'
#print RMS.transpose()[0]
#corrections=myrescal.calc_correction(H,K,L,W,setup,qscan=[[1,0,1],[1,0,1]])
corrections=myrescal.calc_correction(H,K,L,W,setup,qscan=qscan)
#print corrections
return corrections,Q[0]
def correct_data(mydata, qscan=None):
mya = mydata.metadata["lattice"]["a"]
myb = mydata.metadata["lattice"]["b"]
myc = mydata.metadata["lattice"]["c"]
myalpha = N.radians(mydata.metadata["lattice"]["alpha"])
mybeta = N.radians(mydata.metadata["lattice"]["beta"])
mygamma = N.radians(mydata.metadata["lattice"]["gamma"])
a = N.array([mya], dtype="float64") # for now, the code is broken if only one element in the array for indexing
b = N.array([myb], dtype="float64")
c = N.array([myc], dtype="float64")
alpha = N.array([myalpha], dtype="float64")
beta = N.array([mybeta], dtype="float64")
gamma = N.array([mygamma], dtype="float64")
# print mydata.metadata
h = mydata.metadata["orient1"]["h"]
k = mydata.metadata["orient1"]["k"]
l = mydata.metadata["orient1"]["l"]
orient1 = N.array([[h, k, l]], dtype="float64")
h = mydata.metadata["orient2"]["h"]
k = mydata.metadata["orient2"]["k"]
l = mydata.metadata["orient2"]["l"]
orient2 = N.array([[h, k, l]], dtype="float64")
orientation = rescalc.lattice_calculator.Orientation(orient1, orient2)
mylattice = rescalc.lattice_calculator.Lattice(
a=a, b=b, c=c, alpha=alpha, beta=beta, gamma=gamma, orientation=orientation
)
# h=q['h_center'] #perhaps just take this from the file in the future
# k=q['k_center']
# l=q['l_center']
h = mydata.metadata["q_center"]["h_center"]
k = mydata.metadata["q_center"]["k_center"]
l = mydata.metadata["q_center"]["l_center"]
H = N.array([h, h], dtype="float64")
K = N.array([k, k], dtype="float64")
L = N.array([l, l], dtype="float64")
W = N.array([0.0, 0.0], dtype="float64")
EXP = {}
EXP["ana"] = {}
EXP["ana"]["tau"] = "pg(002)"
EXP["mono"] = {}
EXP["mono"]["tau"] = "pg(002)"
EXP["ana"]["mosaic"] = 60
EXP["mono"]["mosaic"] = 60
EXP["sample"] = {}
EXP["sample"]["mosaic"] = 30
EXP["sample"]["vmosaic"] = 30
coll1 = mydata.metadata["collimations"]["coll1"]
coll2 = mydata.metadata["collimations"]["coll2"]
coll3 = mydata.metadata["collimations"]["coll3"]
coll4 = mydata.metadata["collimations"]["coll4"]
EXP["hcol"] = N.array([coll1, coll2, coll3, coll4], dtype="float64")
EXP["hcol"] = N.array([40, 47, 40, 200], dtype="float64")
EXP["vcol"] = N.array([120, 120, 120, 240], dtype="float64")
EXP["infix"] = -1 # positive for fixed incident energy
EXP["efixed"] = mydata.metadata["energy_info"]["ef"]
EXP["method"] = 0
setup = [EXP]
myrescal = rescalc.rescalculator(mylattice)
newinput = rescalc.lattice_calculator.CleanArgs(
a=a,
b=b,
c=c,
alpha=alpha,
beta=beta,
gamma=gamma,
orient1=orient1,
orient2=orient2,
H=H,
K=K,
L=L,
W=W,
setup=setup,
)
neworientation = rescalc.lattice_calculator.Orientation(newinput["orient1"], newinput["orient2"])
mylattice = rescalc.lattice_calculator.Lattice(
a=newinput["a"],
b=newinput["b"],
c=newinput["c"],
alpha=newinput["alpha"],
beta=newinput["beta"],
gamma=newinput["gamma"],
orientation=neworientation,
)
myrescal.__init__(mylattice)
Q = myrescal.lattice_calculator.modvec(H, K, L, "latticestar")
# print 'Q', Q
R0, RM = myrescal.ResMat(Q, W, setup)
# print 'RM '
# print RM.transpose()
# print 'R0 ',R0
# exit()
R0, RMS = myrescal.ResMatS(H, K, L, W, setup)
# myrescal.ResPlot(H, K, L, W, setup)
# print 'RMS'
# print RMS.transpose()[0]
# corrections=myrescal.calc_correction(H,K,L,W,setup,qscan=[[1,0,1],[1,0,1]])
corrections = myrescal.calc_correction(H, K, L, W, setup, qscan=qscan)
# print corrections
return corrections, Q[0]
EXP['ana']={}
EXP['ana']['tau']='pg(002)'
EXP['mono']={}
EXP['mono']['tau']='pg(002)';
EXP['ana']['mosaic']=25
EXP['mono']['mosaic']=25
EXP['sample']={}
EXP['sample']['mosaic']=0#15
EXP['sample']['vmosaic']=0#15
EXP['hcol']=N.array([40, 10.7, 40, 80],'d')
EXP['vcol']=N.array([120, 120, 120, 240],'d')
EXP['infix']=-1 #positive for fixed incident energy
EXP['efixed']=14.7
EXP['method']=0
setup=[EXP]
myrescal=rescalculator(mylattice)
newinput=lattice_calculator.CleanArgs(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,orient1=orient1,orient2=orient2,\
H=H,K=K,L=L,W=W,setup=setup)
neworientation=lattice_calculator.Orientation(newinput['orient1'],newinput['orient2'])
mylattice=lattice_calculator.Lattice(a=newinput['a'],b=newinput['b'],c=newinput['c'],alpha=newinput['alpha'],\
beta=newinput['beta'],gamma=newinput['gamma'],orientation=neworientation,\
)
myrescal.__init__(mylattice)
Q=myrescal.lattice_calculator.modvec(H,K,L,'latticestar')
R0,RM=myrescal.ResMat(Q,W,setup)
print 'RM '
print RM.transpose()
print 'R0 ',R0
#exit()
R0,RMS=myrescal.ResMatS(H,K,L,W,setup)
widths=myrescal.CalcWidths(H,K,L,W,setup)
EXP['ana']={}
EXP['ana']['tau']='pg(002)'
EXP['mono']={}
EXP['mono']['tau']='pg(002)';
EXP['ana']['mosaic']=25
EXP['mono']['mosaic']=25
EXP['sample']={}
EXP['sample']['mosaic']=0#15
EXP['sample']['vmosaic']=0#15
EXP['hcol']=N.array([40, 10.7, 40, 80],'d')
EXP['vcol']=N.array([120, 120, 120, 240],'d')
EXP['infix']=-1 #positive for fixed incident energy
EXP['efixed']=14.7
EXP['method']=0
setup=[EXP]
myrescal=rescalculator(mylattice)
newinput=lattice_calculator.CleanArgs(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,orient1=orient1,orient2=orient2,\
H=H,K=K,L=L,W=W,setup=setup)
neworientation=lattice_calculator.Orientation(newinput['orient1'],newinput['orient2'])
mylattice=lattice_calculator.Lattice(a=newinput['a'],b=newinput['b'],c=newinput['c'],alpha=newinput['alpha'],\
beta=newinput['beta'],gamma=newinput['gamma'],orientation=neworientation,\
)
myrescal.__init__(mylattice)
Q=myrescal.lattice_calculator.modvec(H,K,L,'latticestar')
R0,RM=myrescal.ResMat(Q,W,setup)
print 'RM '
print RM.transpose()
print 'R0 ',R0
#exit()
R0,RMS=myrescal.ResMatS(H,K,L,W,setup)
widths=myrescal.CalcWidths(H,K,L,W,setup)