def calcstar():
ar = N.sqrt(3 * A**2 + C**2) / 3
alphar = 2 * N.arcsin(3 / 2 / N.sqrt(3 + (C / A)**2))
a = N.array([ar], 'Float64')
b = N.array([ar], 'Float64')
c = N.array([ar], 'Float64')
alpha = N.array([alphar], 'Float64')
beta = N.array([alphar], 'Float64')
gamma = N.array([alphar], 'Float64')
orient1 = N.array([[1, 0, 0]], 'Float64')
orient2 = N.array([[0, 0, 1]], 'Float64')
orientation = lattice_calculator.Orientation(orient1, orient2)
lattice = lattice_calculator.Lattice(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,\
orientation=orientation)
astar = lattice.astar
alphastar = lattice.alphastar
return astar[0], alphastar[0], lattice
def calcd(H, K, L):
a = N.array([A], 'Float64')
b = N.array([B], 'Float64')
c = N.array([C], 'Float64')
alpha = N.radians(N.array([90], 'Float64'))
beta = N.radians(N.array([90], 'Float64'))
gamma = N.radians(N.array([120], 'Float64'))
orient1 = N.array([[1, 0, 0]], 'Float64')
orient2 = N.array([[0, 0, 1]], 'Float64')
orientation = lattice_calculator.Orientation(orient1, orient2)
lattice = lattice_calculator.Lattice(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,\
orientation=orientation)
newinput=lattice_calculator.CleanArgs(a=lattice.a,b=lattice.b,c=lattice.c,alpha=lattice.alpha,beta=lattice.beta,\
gamma=lattice.gamma,orient1=lattice._orient1,orient2=lattice._orient2,H=H,K=K,L=L)
orientation = lattice_calculator.Orientation(newinput['orient1'],
newinput['orient2'])
lattice.__init__(a=newinput['a'],b=newinput['b'],c=newinput['c'],alpha=newinput['alpha'],\
beta=newinput['beta'],gamma=newinput['gamma'],orientation=orientation\
)
alphastar = lattice.alphastar
print 'alphastar', alphastar
EXP = {}
EXP['ana'] = {}
EXP['ana']['tau'] = 'pg(002)'
EXP['mono'] = {}
EXP['mono']['tau'] = 'pg(002)'
EXP['ana']['mosaic'] = 30
EXP['mono']['mosaic'] = 30
EXP['sample'] = {}
EXP['sample']['mosaic'] = 10
EXP['sample']['vmosaic'] = 10
EXP['hcol'] = N.array([40, 10, 20, 80], 'Float64')
EXP['vcol'] = N.array([120, 120, 120, 120], 'Float64')
EXP['infix'] = -1 #positive for fixed incident energy
EXP['efixed'] = 14.7
EXP['method'] = 0
setup = [EXP]
qx, qy, qz, Q = lattice.R2S(H, K, L)
print 'Q', Q
d = 2 * pi / Q
print 'd', d
return d
pylab.savefig(r'c:\sqltest\demo.pdf',dpi=150)
print 'saved'
if 1:
a=N.array([3.943],'d')
b=N.array([2.779],'d')
c=N.array([13.86],'d')
alpha=N.array([90],'d')
beta=N.array([90],'d')
gamma=N.array([90],'d')
# orient1=N.array([[0,1,1]],'d')
orient1=N.array([[1,0,0]],'d')
orient2=N.array([[0,1,0]],'d')
orientation=lattice_calculator.Orientation(orient1,orient2)
mylattice=lattice_calculator.Lattice(a=a,b=b,c=c,alpha=alpha,beta=beta,gamma=gamma,\
orientation=orientation)
delta=.0045
hc=.5035
kc=.5
#x-axis is cubic, y-axis is 110
sq3=N.sqrt(3)
H=N.array([hc,
hc,
hc+3*delta/2,
hc-3*delta/2,
hc-3*delta/2,
hc+3*delta/2,
],'d');
K=N.array([kc+delta,
kc-delta,
kc+delta/2,