def from_lattice(cls, lattice: OrientedLattice, x_proj: Sequence, y_proj: Sequence):
"""
:param lattice: An OrientedLattice object defining the unit cell
:param x_proj: Projection vector of dimension associated with X coordinate
:param y_proj: Projection vector of dimension associated with Y coordinate
"""
return cls(np.radians(lattice.recAngle(*x_proj, *y_proj)))
def test_create_nonorthogonal_transform_with_nonorthogonal_lattice_and_nonorthogonal_projections(
self):
lattice = OrientedLattice(1, 1, 2, 90, 90, 120.)
x_proj, y_proj = (1, 0, 0), (1, 1, 0)
transform = NonOrthogonalTransform.from_lattice(
lattice, x_proj, y_proj)
self.assertAlmostEqual(transform.angle,
np.radians(lattice.recAngle(*x_proj, *y_proj)))
class Scisoft():
def __init__(self, point):
# input : qe
# output : qe+tas
self.point = point
self.qe_para()
self.qe_limit()
if self.limit_qe == 1:
self.scisoft()
if tp.ModeChoice.mode == 3:
# add sample stick rotation s0
self.scisoft_premium()
self.tas = tl.TasLimit(self.tas).point
else:
self.tas = tl.TasLimit(self.tas).point
else:
self.tas = pd.Series(data=None,
index=tp.TasStatus.tas_status.index.drop(
['mts', 'sta', 'dtx']).copy())
self.tas['s1s2_limit'] = 1
self.tas['soft_limit'] = 1
self.tas['qe_limit'] = self.limit_qe
# raise Exception as
def qe_para(self):
self.orien = OrientedLattice(*Alignment.para)
self.para = Alignment.para
self.hkl = [self.point.h, self.point.k, self.point.l]
self.len = self.orien.qFromHKL(self.hkl).norm()
self.mono = Monochromator(en=self.point.ei)
self.ana = Monochromator(en=self.point.ef)
def qe_limit(self):
if self.mono.k + self.ana.k < self.len:
self.limit_qe = tp.LimitNumb.Modenumb[tp.LimitNumb.mode]
else:
self.limit_qe = 1
def angdif(self):
# angle between point and refa
p0 = self.hkl
p1 = Alignment.refa
p2 = Alignment.refb
theta1 = self.orien.recAngle(p0[0], p0[1], p0[2], p1.h, p1.k, p1.l)
valcos1 = math.cos(math.radians(theta1))
theta2 = self.orien.recAngle(p0[0], p0[1], p0[2], p2.h, p2.k, p2.l)
valcos2 = math.cos(math.radians(theta2))
if valcos1 * valcos2 == 0:
self.angdiff = theta1 * (valcos1 + valcos2)
else:
self.angdiff = theta1 * abs(valcos2) / valcos2
def scisoft(self):
s2_value = (self.mono.k**2 + self.ana.k**2 -
self.len**2) / 2.0 / self.mono.k / self.ana.k
self.tth = math.degrees(math.acos(s2_value))
self.angdif()
s2 = self.tth * tp.TasConfig.tas_config.s
s1dif = (self.mono.k**2 - self.ana.k**2 +
self.len**2) / 2.0 / self.mono.k / self.len
s1dif = math.acos(s1dif)
s1dif = s1dif * 180 / math.pi
s1 = -1 * Alignment.delta - self.angdiff - s1dif * tp.TasConfig.tas_config.s
index = ['m1', 'm2', 's1', 's2', 'a1', 'a2']
self.tas = pd.Series(data=[
self.mono.tth / 2, self.mono.tth, s1, s2, self.ana.tth / 2,
self.ana.tth
],
index=index)
def s1p_split(self):
# s0 first : magnet
# s1 first : crystat
s1p = self.tas.s1
delta_s1p = s1p - (tp.TasStatus.tas_status.s1 +
tp.TasStatus.tas_status.s0)
if tp.SplitMode.mode == 0:
s0 = tp.TasStatus.tas_status.s0 + delta_s1p
s1 = tp.TasStatus.tas_status.s1
elif tp.SplitMode.mode == 1:
s1 = tp.TasStatus.tas_status.s1 + delta_s1p
s0 = tp.TasStatus.tas_status.s0
return pd.Series(data=[s0, s1], index=['s0', 's1'])
def scisoft_premium(self):
junk = self.tas
addition = self.s1p_split()
junk.pop('s1')
self.tas = junk.append(addition)
