def testAnglesToHkl(self):
mockUbcalc = createMockUbcalc(
matrix(self.sess.umatrix) * matrix(self.sess.bmatrix))
self.ac = VliegHklCalculator(mockUbcalc,
createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
# Check the two given reflections
(hklactual1, params) = self.ac.anglesToHkl(self.sess.ref1.pos,
self.sess.ref1.wavelength)
del params
(hklactual2, params) = self.ac.anglesToHkl(self.sess.ref2.pos,
self.sess.ref2.wavelength)
mneq_(matrix([hklactual1]), matrix([self.sess.ref1calchkl]), 3)
mneq_(matrix([hklactual2]), matrix([self.sess.ref2calchkl]), 3)
# ... znd in each calculation through the hkl/posiiont pairs
if self.calc:
for hkl, pos, param in zip(self.calc.hklList, self.calc.posList,
self.calc.paramList):
(hkl_actual,
params) = self.ac.anglesToHkl(pos, self.calc.wavelength)
note = ("wrong hkl calcualted for scenario.name=%s, "
"calculation.tag=%s\n expected hkl=(%f,%f,%f)\n"
"calculated hkl=(%f,%f,%f)" %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
hkl_actual[0], hkl_actual[1], hkl_actual[2]))
mneq_(matrix([hkl_actual]), matrix([hkl]), 3, note=note)
print "***anglesToHkl***"
print "*** ", str(hkl), " ***"
print params
print param
def testAnglesToHkl(self):
mockUbcalc = createMockUbcalc(
matrix(self.sess.umatrix) * matrix(self.sess.bmatrix))
self.ac = VliegHklCalculator(mockUbcalc,
createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
# Check the two given reflections
(hklactual1, params) = self.ac.anglesToHkl(self.sess.ref1.pos,
self.sess.ref1.wavelength)
del params
(hklactual2, params) = self.ac.anglesToHkl(self.sess.ref2.pos,
self.sess.ref2.wavelength)
mneq_(matrix([hklactual1]), matrix([self.sess.ref1calchkl]), 3)
mneq_(matrix([hklactual2]), matrix([self.sess.ref2calchkl]), 3)
# ... znd in each calculation through the hkl/posiiont pairs
if self.calc:
for hkl, pos, param in zip(self.calc.hklList,
self.calc.posList,
self.calc.paramList):
(hkl_actual, params) = self.ac.anglesToHkl(pos,
self.calc.wavelength)
note = ("wrong hkl calcualted for scenario.name=%s, "
"calculation.tag=%s\n expected hkl=(%f,%f,%f)\n"
"calculated hkl=(%f,%f,%f)" %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
hkl_actual[0], hkl_actual[1], hkl_actual[2]))
mneq_(matrix([hkl_actual]), matrix([hkl]), 3, note=note)
print "***anglesToHkl***"
print "*** ", str(hkl), " ***"
print params
print param
def testHklToAngles(self):
if self.calc:
# Configure the angle calculator for this session scenario
UB = matrix(self.sess.umatrix) * matrix(self.sess.bmatrix)
mockUbcalc = createMockUbcalc(UB)
hw = createMockHardwareMonitor()
settings.geometry = createMockDiffractometerGeometry()
settings.hardware = hw
ac = VliegHklCalculator(mockUbcalc)
ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
## configure the angle calculator for this calculation
ac.mode_selector.setModeByName(self.calc.modeToTest)
# Set fixed parameters
if self.calc.modeToTest in ('4cBeq', '4cFixedw'):
#ac.setParameter('alpha', self.calc.alpha )
ac.parameter_manager.setTrackParameter('alpha', True)
hw.get_position.return_value = 888, self.calc.alpha, 999
ac.parameter_manager.set_constraint('gamma', self.calc.gamma)
# Test each hkl/position pair
for idx in range(len(self.calc.hklList)):
hkl = self.calc.hklList[idx]
expectedpos = self.calc.posList[idx]
(pos, params) = ac.hklToAngles(hkl[0], hkl[1], hkl[2],
self.calc.wavelength)
note = ("wrong positions calculated for TestScenario=%s, "
"AngleTestScenario=%s, hkl=(%f,%f,%f):\n"
" expected pos=%s;\n"
" returned pos=%s " %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
str(expectedpos), str(pos)))
assert pos.nearlyEquals(expectedpos, 0.01), note
print "*** hklToAngles ***"
print "*** ", str(hkl), " ***"
print params
try:
print self.calc.paramList[idx]
except IndexError: # Not always specified
pass
def testHklToAngles(self):
if self.calc:
# Configure the angle calculator for this session scenario
UB = matrix(self.sess.umatrix) * matrix(self.sess.bmatrix)
mockUbcalc = createMockUbcalc(UB)
hw = createMockHardwareMonitor()
ac = VliegHklCalculator(mockUbcalc,
createMockDiffractometerGeometry(), hw)
ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
## configure the angle calculator for this calculation
ac.mode_selector.setModeByName(self.calc.modeToTest)
# Set fixed parameters
if self.calc.modeToTest in ('4cBeq', '4cFixedw'):
#ac.setParameter('alpha', self.calc.alpha )
ac.parameter_manager.setTrackParameter('alpha', True)
hw.get_position.return_value = 888, self.calc.alpha, 999
ac.parameter_manager.set_constraint('gamma', self.calc.gamma)
# Test each hkl/position pair
for idx in range(len(self.calc.hklList)):
hkl = self.calc.hklList[idx]
expectedpos = self.calc.posList[idx]
(pos, params) = ac.hklToAngles(hkl[0], hkl[1], hkl[2],
self.calc.wavelength)
note = ("wrong positions calculated for TestScenario=%s, "
"AngleTestScenario=%s, hkl=(%f,%f,%f):\n"
" expected pos=%s;\n"
" returned pos=%s " %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
str(expectedpos), str(pos)))
assert pos.nearlyEquals(expectedpos, 0.01), note
print "*** hklToAngles ***"
print "*** ", str(hkl), " ***"
print params
try:
print self.calc.paramList[idx]
except IndexError: # Not always specified
pass
def setup_method(self):
from diffcalc import settings
settings.geometry = SixCircleGammaOnArmGeometry()
dummy = 'alpha', 'delta', 'gamma', 'omega', 'chi', 'phi'
settings.hardware = DummyHardwareAdapter(dummy)
self.mock_ubcalc = Mock(spec=UBCalculation)
self.hklcalc = VliegHklCalculator(self.mock_ubcalc, True)
settings.ubcalc_persister = UbCalculationNonPersister()
from diffcalc.hkl.vlieg import hkl
reload(hkl)
hkl.hklcalc = self.hklcalc
self.hkl = hkl
prepareRawInput([])
def setup_method(self):
self.ac = VliegHklCalculator(None, createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
self.setSessionAndCalculation()
class BaseTestHklCalculator():
def setSessionAndCalculation(self):
raise Exception("Abstract")
def setup_method(self):
self.ac = VliegHklCalculator(None, createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
self.setSessionAndCalculation()
def testAnglesToHkl(self):
mockUbcalc = createMockUbcalc(
matrix(self.sess.umatrix) * matrix(self.sess.bmatrix))
self.ac = VliegHklCalculator(mockUbcalc,
createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
# Check the two given reflections
(hklactual1, params) = self.ac.anglesToHkl(self.sess.ref1.pos,
self.sess.ref1.wavelength)
del params
(hklactual2, params) = self.ac.anglesToHkl(self.sess.ref2.pos,
self.sess.ref2.wavelength)
mneq_(matrix([hklactual1]), matrix([self.sess.ref1calchkl]), 3)
mneq_(matrix([hklactual2]), matrix([self.sess.ref2calchkl]), 3)
# ... znd in each calculation through the hkl/posiiont pairs
if self.calc:
for hkl, pos, param in zip(self.calc.hklList,
self.calc.posList,
self.calc.paramList):
(hkl_actual, params) = self.ac.anglesToHkl(pos,
self.calc.wavelength)
note = ("wrong hkl calcualted for scenario.name=%s, "
"calculation.tag=%s\n expected hkl=(%f,%f,%f)\n"
"calculated hkl=(%f,%f,%f)" %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
hkl_actual[0], hkl_actual[1], hkl_actual[2]))
mneq_(matrix([hkl_actual]), matrix([hkl]), 3, note=note)
print "***anglesToHkl***"
print "*** ", str(hkl), " ***"
print params
print param
def testHklToAngles(self):
if self.calc:
# Configure the angle calculator for this session scenario
UB = matrix(self.sess.umatrix) * matrix(self.sess.bmatrix)
mockUbcalc = createMockUbcalc(UB)
hw = createMockHardwareMonitor()
ac = VliegHklCalculator(mockUbcalc,
createMockDiffractometerGeometry(), hw)
ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
## configure the angle calculator for this calculation
ac.mode_selector.setModeByName(self.calc.modeToTest)
# Set fixed parameters
if self.calc.modeToTest in ('4cBeq', '4cFixedw'):
#ac.setParameter('alpha', self.calc.alpha )
ac.parameter_manager.setTrackParameter('alpha', True)
hw.get_position.return_value = 888, self.calc.alpha, 999
ac.parameter_manager.set_constraint('gamma', self.calc.gamma)
# Test each hkl/position pair
for idx in range(len(self.calc.hklList)):
hkl = self.calc.hklList[idx]
expectedpos = self.calc.posList[idx]
(pos, params) = ac.hklToAngles(hkl[0], hkl[1], hkl[2],
self.calc.wavelength)
note = ("wrong positions calculated for TestScenario=%s, "
"AngleTestScenario=%s, hkl=(%f,%f,%f):\n"
" expected pos=%s;\n"
" returned pos=%s " %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
str(expectedpos), str(pos)))
assert pos.nearlyEquals(expectedpos, 0.01), note
print "*** hklToAngles ***"
print "*** ", str(hkl), " ***"
print params
try:
print self.calc.paramList[idx]
except IndexError: # Not always specified
pass
def setup_method(self):
self.ac = VliegHklCalculator(None, createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
self.setSessionAndCalculation()
class BaseTestHklCalculator():
def setSessionAndCalculation(self):
raise Exception("Abstract")
def setup_method(self):
self.ac = VliegHklCalculator(None, createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
self.setSessionAndCalculation()
def testAnglesToHkl(self):
mockUbcalc = createMockUbcalc(
matrix(self.sess.umatrix) * matrix(self.sess.bmatrix))
self.ac = VliegHklCalculator(mockUbcalc,
createMockDiffractometerGeometry(),
createMockHardwareMonitor())
self.ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
# Check the two given reflections
(hklactual1, params) = self.ac.anglesToHkl(self.sess.ref1.pos,
self.sess.ref1.wavelength)
del params
(hklactual2, params) = self.ac.anglesToHkl(self.sess.ref2.pos,
self.sess.ref2.wavelength)
mneq_(matrix([hklactual1]), matrix([self.sess.ref1calchkl]), 3)
mneq_(matrix([hklactual2]), matrix([self.sess.ref2calchkl]), 3)
# ... znd in each calculation through the hkl/posiiont pairs
if self.calc:
for hkl, pos, param in zip(self.calc.hklList, self.calc.posList,
self.calc.paramList):
(hkl_actual,
params) = self.ac.anglesToHkl(pos, self.calc.wavelength)
note = ("wrong hkl calcualted for scenario.name=%s, "
"calculation.tag=%s\n expected hkl=(%f,%f,%f)\n"
"calculated hkl=(%f,%f,%f)" %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
hkl_actual[0], hkl_actual[1], hkl_actual[2]))
mneq_(matrix([hkl_actual]), matrix([hkl]), 3, note=note)
print "***anglesToHkl***"
print "*** ", str(hkl), " ***"
print params
print param
def testHklToAngles(self):
if self.calc:
# Configure the angle calculator for this session scenario
UB = matrix(self.sess.umatrix) * matrix(self.sess.bmatrix)
mockUbcalc = createMockUbcalc(UB)
hw = createMockHardwareMonitor()
ac = VliegHklCalculator(mockUbcalc,
createMockDiffractometerGeometry(), hw)
ac.raiseExceptionsIfAnglesDoNotMapBackToHkl = True
## configure the angle calculator for this calculation
ac.mode_selector.setModeByName(self.calc.modeToTest)
# Set fixed parameters
if self.calc.modeToTest in ('4cBeq', '4cFixedw'):
#ac.setParameter('alpha', self.calc.alpha )
ac.parameter_manager.setTrackParameter('alpha', True)
hw.get_position.return_value = 888, self.calc.alpha, 999
ac.parameter_manager.set_constraint('gamma', self.calc.gamma)
# Test each hkl/position pair
for idx in range(len(self.calc.hklList)):
hkl = self.calc.hklList[idx]
expectedpos = self.calc.posList[idx]
(pos, params) = ac.hklToAngles(hkl[0], hkl[1], hkl[2],
self.calc.wavelength)
note = ("wrong positions calculated for TestScenario=%s, "
"AngleTestScenario=%s, hkl=(%f,%f,%f):\n"
" expected pos=%s;\n"
" returned pos=%s " %
(self.sess.name, self.calc.tag, hkl[0], hkl[1], hkl[2],
str(expectedpos), str(pos)))
assert pos.nearlyEquals(expectedpos, 0.01), note
print "*** hklToAngles ***"
print "*** ", str(hkl), " ***"
print params
try:
print self.calc.paramList[idx]
except IndexError: # Not always specified
pass
###
from diffcalc.hkl.common import getNameFromScannableOrString
from diffcalc.util import command
from diffcalc import settings
from diffcalc.ub import ub
from diffcalc.hkl.vlieg.calc import VliegHklCalculator
__all__ = ['hklmode', 'setpar', 'trackalpha', 'trackgamma', 'trackphi',
'parameter_manager', 'hklcalc']
hklcalc = VliegHklCalculator(ub.ubcalc)
parameter_manager = hklcalc.parameter_manager
def __str__(self):
return hklcalc.__str__()
@command
def hklmode(num=None):
"""hklmode {num} -- changes mode or shows current and available modes and all settings""" #@IgnorePep8
if num is None:
print hklcalc.__str__()
else:
hklcalc.mode_selector.setModeByIndex(int(num))
pm = hklcalc.parameter_manager
###
from diffcalc.hkl.common import getNameFromScannableOrString
from diffcalc.util import command
from diffcalc import settings
from diffcalc.ub import ub
from diffcalc.hkl.vlieg.calc import VliegHklCalculator
__all__ = ['hklmode', 'setpar', 'trackalpha', 'trackgamma', 'trackphi',
'parameter_manager', 'hklcalc']
hklcalc = VliegHklCalculator(ub.ubcalc, settings.geometry, settings.hardware)
parameter_manager = hklcalc.parameter_manager
def __str__(self):
return hklcalc.__str__()
@command
def hklmode(num=None):
"""hklmode {num} -- changes mode or shows current and available modes and all settings""" #@IgnorePep8
if num is None:
print hklcalc.__str__()
else:
hklcalc.mode_selector.setModeByIndex(int(num))
pm = hklcalc.parameter_manager
