def setUp(self):
names = 'alpha', 'delta', 'gamma', 'omega', 'chi', 'phi'
self.hardware = DummyHardwareAdapter(names)
self.geometry = SixCircleGammaOnArmGeometry()
self.ubcalc = UBCalculation(names,
self.geometry,
UbCalculationNonPersister(),
VliegUbCalcStrategy())
self.ubcommands = UbCommands(self.hardware, self.geometry, self.ubcalc)
prepareRawInput([])
diffcalc.util.RAISE_EXCEPTIONS_FOR_ALL_ERRORS = True
class TestUbCommands(unittest.TestCase):
def setUp(self):
names = 'alpha', 'delta', 'gamma', 'omega', 'chi', 'phi'
self.hardware = DummyHardwareAdapter(names)
self.geometry = SixCircleGammaOnArmGeometry()
self.ubcalc = UBCalculation(names,
self.geometry,
UbCalculationNonPersister(),
VliegUbCalcStrategy())
self.ubcommands = UbCommands(self.hardware, self.geometry, self.ubcalc)
prepareRawInput([])
diffcalc.util.RAISE_EXCEPTIONS_FOR_ALL_ERRORS = True
def testNewUb(self):
self.ubcommands.newub('test1')
eq_(self.ubcommands._ubcalc._state.name, 'test1')
self.assertRaises(TypeError, self.ubcommands.newub, 1)
def testNewUbInteractively(self):
prepareRawInput(['ubcalcname', 'xtal', '1', '2', '3', '91', '92',
'93'])
self.ubcommands.newub()
def testLoadub(self):
self.assertRaises(TypeError, self.ubcommands.loadub, (1, 2))
def testSaveubcalcas(self):
self.assertRaises(TypeError, self.ubcommands.saveubas, 1)
self.assertRaises(TypeError, self.ubcommands.saveubas, (1, 2))
self.ubcommands.saveubas('blarghh')
def testUb(self):
self.assertRaises(TypeError, self.ubcommands.showref, (1))
self.ubcommands.ub()
self.ubcommands.newub('testubcalc')
self.ubcommands.ub()
def testSetlat(self):
# "Exception should result if no UBCalculation started")
self.assertRaises(DiffcalcException, self.ubcommands.setlat, 'HCl', 2)
self.ubcommands.newub('testing_setlat')
self.assertRaises(TypeError, self.ubcommands.setlat, 1)
self.assertRaises(TypeError, self.ubcommands.setlat, 1, 2)
self.assertRaises(TypeError, self.ubcommands.setlat, 'HCl')
self.ubcommands.setlat('NaCl', 1.1)
ubcalc = self.ubcommands._ubcalc
eq_(('NaCl', 1.1, 1.1, 1.1, 90, 90, 90), ubcalc._state.crystal.getLattice())
self.ubcommands.setlat('NaCl', 1.1, 2.2)
eq_(('NaCl', 1.1, 1.1, 2.2, 90, 90, 90), ubcalc._state.crystal.getLattice())
self.ubcommands.setlat('NaCl', 1.1, 2.2, 3.3)
eq_(('NaCl', 1.1, 2.2, 3.3, 90, 90, 90), ubcalc._state.crystal.getLattice())
self.ubcommands.setlat('NaCl', 1.1, 2.2, 3.3, 91)
eq_(('NaCl', 1.1, 2.2, 3.3, 90, 90, 91), ubcalc._state.crystal.getLattice())
self.assertRaises(
TypeError, self.ubcommands.setlat, ('NaCl', 1.1, 2.2, 3.3, 91, 92))
self.ubcommands.setlat('NaCl', 1.1, 2.2, 3.3, 91, 92, 93)
assert_iterable_almost_equal(
('NaCl', 1.1, 2.2, 3.3, 91, 92, 92.99999999999999),
ubcalc._state.crystal.getLattice())
def testSetlatInteractive(self):
self.ubcommands.newub('testing_setlatinteractive')
prepareRawInput(['xtal', '1', '2', '3', '91', '92', '93'])
self.ubcommands.setlat()
getLattice = self.ubcommands._ubcalc._state.crystal.getLattice
assert_iterable_almost_equal(getLattice(),
('xtal', 1., 2., 3., 91, 92, 92.999999999999986))
#Defaults:
prepareRawInput(['xtal', '', '', '', '', '', ''])
self.ubcommands.setlat()
getLattice = self.ubcommands._ubcalc._state.crystal.getLattice
eq_(getLattice(), ('xtal', 1., 1., 1., 90, 90, 90))
def testShowref(self):
self.assertRaises(TypeError, self.ubcommands.showref, (1))
eq_(self.ubcommands.showref(), None) # No UBCalculation loaded
# will be tested, for exceptions at least, implicitely below
self.ubcommands.newub('testing_showref')
eq_(self.ubcommands.showref(), None) # No UBCalculation loaded"
def testAddref(self):
# self.assertRaises(TypeError, self.ubcommands.addref)
self.assertRaises(TypeError, self.ubcommands.addref, 1)
self.assertRaises(TypeError, self.ubcommands.addref, 1, 2)
self.assertRaises(TypeError, self.ubcommands.addref, 1, 2, 'blarghh')
# start new ubcalc
self.ubcommands.newub('testing_addref')
reflist = self.ubcommands._ubcalc._state.reflist # for conveniance
pos1 = (1.1, 1.2, 1.3, 1.4, 1.5, 1.6)
pos2 = (2.1, 2.2, 2.3, 2.4, 2.5, 2.6)
pos3 = (3.1, 3.2, 3.3, 3.4, 3.5, 3.6)
pos4 = (4.1, 4.2, 4.3, 4.4, 4.5, 4.6)
#
self.hardware.energy = 1.10
self.hardware.position = pos1
self.ubcommands.addref([1.1, 1.2, 1.3])
result = reflist.get_reflection_in_external_angles(1)
eq_(result[:-1], ([1.1, 1.2, 1.3], pos1, 1.10, None))
self.hardware.energy = 2.10
self.hardware.position = pos2
self.ubcommands.addref([2.1, 2.2, 2.3], 'atag')
result = reflist.get_reflection_in_external_angles(2)
eq_(result[:-1], ([2.1, 2.2, 2.3], pos2, 2.10, 'atag'))
self.ubcommands.addref([3.1, 3.2, 3.3], pos3, 3.10)
result = reflist.get_reflection_in_external_angles(3)
eq_(result[:-1], ([3.1, 3.2, 3.3], pos3, 3.10, None))
self.ubcommands.addref([4.1, 4.2, 4.3], pos4, 4.10, 'tag2')
result = reflist.get_reflection_in_external_angles(4)
eq_(result[:-1], ([4.1, 4.2, 4.3], pos4, 4.10, 'tag2'))
def testAddrefInteractively(self):
prepareRawInput([])
# start new ubcalc
self.ubcommands.newub('testing_addref')
reflist = self.ubcommands._ubcalc._state.reflist # for conveniance
pos1 = (1.1, 1.2, 1.3, 1.4, 1.5, 1.6)
pos2 = (2.1, 2.2, 2.3, 2.4, 2.5, 2.6)
pos3 = (3.1, 3.2, 3.3, 3.4, 3.5, 3.6)
pos3s = ['3.1', '3.2', '3.3', '3.4', '3.5', '3.6']
pos4 = (4.1, 4.2, 4.3, 4.4, 4.5, 4.6)
pos4s = ['4.1', '4.2', '4.3', '4.4', '4.5', '4.6']
#
self.hardware.energy = 1.10
self.hardware.position = pos1
prepareRawInput(['1.1', '1.2', '1.3', '', ''])
self.ubcommands.addref()
result = reflist.get_reflection_in_external_angles(1)
eq_(result[:-1], ([1.1, 1.2, 1.3], pos1, 1.10, None))
self.hardware.energy = 2.10
self.hardware.position = pos2
prepareRawInput(['2.1', '2.2', '2.3', '', 'atag'])
self.ubcommands.addref()
result = reflist.get_reflection_in_external_angles(2)
eq_(result[:-1], ([2.1, 2.2, 2.3], pos2, 2.10, 'atag'))
prepareRawInput(['3.1', '3.2', '3.3', 'n'] + pos3s + ['3.10', ''])
self.ubcommands.addref()
result = reflist.get_reflection_in_external_angles(3)
eq_(result[:-1], ([3.1, 3.2, 3.3], pos3, 3.10, None))
prepareRawInput(['4.1', '4.2', '4.3', 'n'] + pos4s + ['4.10', 'tag2'])
self.ubcommands.addref()
result = reflist.get_reflection_in_external_angles(4)
eq_(result[:-1], ([4.1, 4.2, 4.3], pos4, 4.10, 'tag2'))
def testEditRefInteractivelyWithCurrentPosition(self):
pos1 = (1.1, 1.2, 1.3, 1.4, 1.5, 1.6)
pos2 = (2.1, 2.2, 2.3, 2.4, 2.5, 2.6)
self.ubcommands.newub('testing_editref')
self.ubcommands.addref([1, 2, 3], pos1, 10, 'tag1')
self.hardware.energy = 11
self.hardware.position = pos2
prepareRawInput(['1.1', '', '3.1', 'y', ''])
self.ubcommands.editref(1)
reflist = self.ubcommands._ubcalc._state.reflist # for conveniance
result = reflist.get_reflection_in_external_angles(1)
eq_(result[:-1], ([1.1, 2, 3.1], pos2, 11, 'tag1'))
def testEditRefInteractivelyWithEditedPosition(self):
pos1 = (1.1, 1.2, 1.3, 1.4, 1.5, 1.6)
pos2 = (2.1, 2.2, 2.3, 2.4, 2.5, 2.6)
pos2s = ['2.1', '2.2', '2.3', '2.4', '2.5', '2.6']
self.ubcommands.newub('testing_editref')
self.ubcommands.addref([1, 2, 3], pos1, 10, 'tag1')
prepareRawInput(['1.1', '', '3.1', 'n'] + pos2s + ['12', 'newtag'])
self.ubcommands.editref(1)
reflist = self.ubcommands._ubcalc._state.reflist
result = reflist.get_reflection_in_external_angles(1)
eq_(result[:-1], ([1.1, 2, 3.1], pos2, 12, 'newtag'))
def testSwapref(self):
self.assertRaises(TypeError, self.ubcommands.swapref, 1)
self.assertRaises(TypeError, self.ubcommands.swapref, 1, 2, 3)
self.assertRaises(TypeError, self.ubcommands.swapref, 1, 1.1)
self.ubcommands.newub('testing_swapref')
pos = (1.1, 1.2, 1.3, 1.4, 1.5, 1.6)
self.ubcommands.addref([1, 2, 3], pos, 10, 'tag1')
self.ubcommands.addref([1, 2, 3], pos, 10, 'tag2')
self.ubcommands.addref([1, 2, 3], pos, 10, 'tag3')
self.ubcommands.swapref(1, 3)
self.ubcommands.swapref(1, 3)
self.ubcommands.swapref(3, 1) # end flipped
reflist = self.ubcommands._ubcalc._state.reflist
tag1 = reflist.get_reflection_in_external_angles(1)[3]
tag2 = reflist.get_reflection_in_external_angles(2)[3]
tag3 = reflist.get_reflection_in_external_angles(3)[3]
eq_(tag1, 'tag3')
eq_(tag2, 'tag2')
eq_(tag3, 'tag1')
self.ubcommands.swapref()
tag1 = reflist.get_reflection_in_external_angles(1)[3]
tag2 = reflist.get_reflection_in_external_angles(2)[3]
eq_(tag1, 'tag2')
eq_(tag2, 'tag3')
def testDelref(self):
self.ubcommands.newub('testing_swapref')
pos = (1.1, 1.2, 1.3, 1.4, 1.5, 1.6)
self.ubcommands.addref([1, 2, 3], pos, 10, 'tag1')
reflist = self.ubcommands._ubcalc._state.reflist
reflist.get_reflection_in_external_angles(1)
self.ubcommands.delref(1)
self.assertRaises(IndexError, reflist.get_reflection_in_external_angles, 1)
def testSetu(self):
# just test calling this method
#self.ubcommands.setu([[1,2,3],[1,2,3],[1,2,3]])
self.ubcommands.newub('testsetu')
setu = self.ubcommands.setu
self.assertRaises(TypeError, setu, 1, 2)
self.assertRaises(TypeError, setu, 1)
self.assertRaises(TypeError, setu, 'a')
self.assertRaises(TypeError, setu, [1, 2, 3])
self.assertRaises(TypeError, setu, [[1, 2, 3], [1, 2, 3], [1, 2]])
# diffCalcException expected if no lattice set yet
self.assertRaises(DiffcalcException, setu,
[[1, 2, 3], [1, 2, 3], [1, 2, 3]])
self.ubcommands.setlat('NaCl', 1.1)
setu([[1, 2, 3], [1, 2, 3], [1, 2, 3]]) # check no exceptions only
setu(((1, 2, 3), (1, 2, 3), (1, 2, 3))) # check no exceptions only
def testSetuInteractive(self):
self.ubcommands.newub('testsetu')
self.ubcommands.setlat('NaCl', 1.1)
prepareRawInput(['1 2 3', '4 5 6', '7 8 9'])
self.ubcommands.setu()
a = self.ubcalc.U.tolist()
eq_([list(a[0]), list(a[1]), list(a[2])],
[[1, 2, 3], [4, 5, 6], [7, 8, 9]])
prepareRawInput(['', ' 9 9.9 99', ''])
self.ubcommands.setu()
a = self.ubcalc.U.tolist()
eq_([list(a[0]), list(a[1]), list(a[2])],
[[1, 0, 0], [9, 9.9, 99], [0, 0, 1]])
def testSetub(self):
# just test calling this method
self.ubcommands.newub('testsetub')
setub = self.ubcommands.setub
self.assertRaises(TypeError, setub, 1, 2)
self.assertRaises(TypeError, setub, 1)
self.assertRaises(TypeError, setub, 'a')
self.assertRaises(TypeError, setub, [1, 2, 3])
self.assertRaises(TypeError, setub, [[1, 2, 3], [1, 2, 3], [1, 2]])
setub([[1, 2, 3], [1, 2, 3], [1, 2, 3]]) # check no exceptions only
setub(((1, 2, 3), (1, 2, 3), (1, 2, 3))) # check no exceptions only
def testSetUbInteractive(self):
self.ubcommands.newub('testsetu')
self.ubcommands.setlat('NaCl', 1.1)
prepareRawInput(['1 2 3', '4 5 6', '7 8 9'])
self.ubcommands.setub()
a = self.ubcalc.UB.tolist()
eq_([list(a[0]), list(a[1]), list(a[2])],
[[1, 2, 3], [4, 5, 6], [7, 8, 9]])
prepareRawInput(['', ' 9 9.9 99', ''])
self.ubcommands.setub()
a = self.ubcalc.UB.tolist()
eq_([list(a[0]), list(a[1]), list(a[2])],
[[1, 0, 0], [9, 9.9, 99], [0, 0, 1]])
def testCalcub(self):
self.assertRaises(TypeError, self.ubcommands.calcub, 1) # wrong input
# no ubcalc started:
self.assertRaises(DiffcalcException, self.ubcommands.calcub)
self.ubcommands.newub('testcalcub')
# not enougth reflections:
self.assertRaises(DiffcalcException, self.ubcommands.calcub)
s = scenarios.sessions()[0]
self.ubcommands.setlat(s.name, *s.lattice)
r = s.ref1
self.ubcommands.addref(
[r.h, r.k, r.l], r.pos.totuple(), r.energy, r.tag)
r = s.ref2
self.ubcommands.addref(
[r.h, r.k, r.l], r.pos.totuple(), r.energy, r.tag)
self.ubcommands.calcub()
mneq_(self.ubcalc.UB, matrix(s.umatrix) * matrix(s.bmatrix),
4, note="wrong UB matrix after calculating U")
def testC2th(self):
self.ubcommands.newub('testcalcub')
self.ubcommands.setlat('cube', 1, 1, 1, 90, 90, 90)
self.assertAlmostEquals(self.ubcommands.c2th((0, 0, 1)), 60)
def testSigtau(self):
# sigtau [sig tau]
self.assertRaises(TypeError, self.ubcommands.sigtau, 1)
self.assertRaises(ValueError, self.ubcommands.sigtau, 1, 'a')
self.ubcommands.sigtau(1, 2)
self.ubcommands.sigtau(1, 2.0)
eq_(self.ubcalc.sigma, 1)
eq_(self.ubcalc.tau, 2.0)
def testSigtauInteractive(self):
prepareRawInput(['1', '2.'])
self.ubcommands.sigtau()
eq_(self.ubcalc.sigma, 1)
eq_(self.ubcalc.tau, 2.0)
#Defaults:
prepareRawInput(['', ''])
self.hardware.position = [None, None, None, None, 3, 4.]
self.ubcommands.sigtau()
eq_(self.ubcalc.sigma, -3.)
eq_(self.ubcalc.tau, -4.)
def testSetWithString(self):
self.assertRaises(TypeError, self.ubcommands.setlat, 'alpha', 'a')
self.assertRaises(TypeError, self.ubcommands.setlat, 'alpha', 1, 'a')
