def addorient(*args):
"""
addorient -- add crystal orientation interactively
addorient [h k l] [x y z] {'tag'} -- add crystal orientation in laboratory frame
"""
if len(args) == 0:
h = promptForNumber('h', 0.)
k = promptForNumber('k', 0.)
l = promptForNumber('l', 0.)
if None in (h, k, l):
_handleInputError("h,k and l must all be numbers")
x = promptForNumber('x', 0.)
y = promptForNumber('y', 0.)
z = promptForNumber('z', 0.)
if None in (x, y, z):
_handleInputError("x,y and z must all be numbers")
tag = promptForInput("tag")
if tag == '':
tag = None
ubcalc.add_orientation(h, k, l, x, y, z, tag, datetime.now())
elif len(args) in (1, 2, 3):
args = list(args)
h, k, l = args.pop(0)
if not (isnum(h) and isnum(k) and isnum(l)):
raise TypeError()
x, y, z = args.pop(0)
if not (isnum(x) and isnum(y) and isnum(z)):
raise TypeError()
if len(args) == 1:
tag = args.pop(0)
if not isinstance(tag, str):
raise TypeError()
else:
tag = None
ubcalc.add_orientation(h, k, l, x, y, z, tag, datetime.now())
else:
raise TypeError()
def refineub(*args):
"""
refineub {[h k l]} {pos} -- refine unit cell dimensions and U matrix to match diffractometer angles for a given hkl value
"""
if len(args) > 0:
args = list(args)
h, k, l = args.pop(0)
if not (isnum(h) and isnum(k) and isnum(l)):
raise TypeError()
else:
h = promptForNumber('h', 0.)
k = promptForNumber('k', 0.)
l = promptForNumber('l', 0.)
if None in (h, k, l):
_handleInputError("h,k and l must all be numbers")
if len(args) == 1:
pos = settings.geometry.physical_angles_to_internal_position( # @UndefinedVariable
args.pop(0))
elif len(args) == 0:
reply = promptForInput('current pos', 'y')
if reply in ('y', 'Y', 'yes'):
positionList = settings.hardware.get_position() # @UndefinedVariable
else:
currentPos = settings.hardware.get_position() # @UndefinedVariable
positionList = []
names = settings.hardware.get_axes_names() # @UndefinedVariable
for i, angleName in enumerate(names):
val = promptForNumber(angleName.rjust(7), currentPos[i])
if val is None:
_handleInputError("Please enter a number, or press"
" Return to accept default!")
return
positionList.append(val)
pos = settings.geometry.physical_angles_to_internal_position(positionList) # @UndefinedVariable
else:
raise TypeError()
pos.changeToRadians()
scale, lat = ubcalc.rescale_unit_cell(h, k, l, pos)
if scale:
lines = ["Unit cell scaling factor:".ljust(9) +
"% 9.5f" % scale]
lines.append("Refined crystal lattice:")
lines.append(" a, b, c:".ljust(9) +
"% 9.5f % 9.5f % 9.5f" % (lat[1:4]))
lines.append(" " * 12 +
"% 9.5f % 9.5f % 9.5f" % (lat[4:]))
lines.append("")
print('\n'.join(lines))
reply = promptForInput('Update crystal settings?', 'y')
if reply in ('y', 'Y', 'yes'):
ubcalc.set_lattice(*lat)
else:
print("No unit cell mismatch detected")
mc_angle, mc_axis = ubcalc.calc_miscut(h, k, l, pos)
if mc_angle:
lines = ["Miscut parameters:",]
lines.append(" angle:".ljust(9) + "% 9.5f" % mc_angle)
lines.append(" axis:".ljust(9) + "% 9.5f % 9.5f % 9.5f" % tuple(mc_axis))
print('\n'.join(lines))
reply = promptForInput('Apply miscut parameters?', 'y')
if reply in ('y', 'Y', 'yes'):
ubcalc.set_miscut(mc_axis, -mc_angle * TORAD, True)
else:
print("No miscut detected for the given settings")
ubcalc.set_miscut(None, 0, True)
def addorient(*args):
"""
addorient -- add crystal orientation interactively
addorient [h k l] [x y z] {'tag'} -- add crystal orientation with current position in laboratory frame
addorient [h k l] [x y z] (p1, .., pN) {'tag'} -- add crystal orientation in laboratory frame
"""
if len(args) == 0:
h = promptForNumber('h', 0.)
k = promptForNumber('k', 0.)
l = promptForNumber('l', 0.)
if None in (h, k, l):
_handleInputError("h,k and l must all be numbers")
x = promptForNumber('x', 0.)
y = promptForNumber('y', 0.)
z = promptForNumber('z', 0.)
if None in (x, y, z):
_handleInputError("x,y and z must all be numbers")
reply = promptForInput('current pos', 'y')
if reply in ('y', 'Y', 'yes'):
positionList = settings.hardware.get_position() # @UndefinedVariable
else:
currentPos = settings.hardware.get_position() # @UndefinedVariable
positionList = []
names = settings.hardware.get_axes_names() # @UndefinedVariable
for i, angleName in enumerate(names):
val = promptForNumber(angleName.rjust(7), currentPos[i])
if val is None:
_handleInputError("Please enter a number, or press"
" Return to accept default!")
return
positionList.append(val)
tag = promptForInput("tag")
if tag == '':
tag = None
pos = settings.geometry.physical_angles_to_internal_position(positionList) # @UndefinedVariable
ubcalc.add_orientation(h, k, l, x , y, z, pos, tag,
datetime.now())
elif len(args) in (2, 3, 4):
args = list(args)
h, k, l = args.pop(0)
if not (isnum(h) and isnum(k) and isnum(l)):
raise TypeError("h,k and l must all be numbers")
x, y, z = args.pop(0)
if not (isnum(x) and isnum(y) and isnum(z)):
raise TypeError("x,y and z must all be numbers")
if len(args) > 1:
pos = settings.geometry.physical_angles_to_internal_position( # @UndefinedVariable
args.pop(0))
else:
pos = settings.geometry.physical_angles_to_internal_position( # @UndefinedVariable
settings.hardware.get_position()) # @UndefinedVariable
if len(args) == 1:
tag = args.pop(0)
if not isinstance(tag, str):
raise TypeError("Tag value must be a string.")
if tag == '':
tag = None
else:
tag = None
ubcalc.add_orientation(h, k, l, x, y ,z, pos, tag,
datetime.now())
else:
raise TypeError("Invalid number of parameters specified for addorient command.")
def addref(*args):
"""
addref -- add reflection interactively
addref [h k l] {'tag'} -- add reflection with current position and energy
addref [h k l] (p1, .., pN) energy {'tag'} -- add arbitrary reflection
"""
multiplier = settings.hardware.energyScannableMultiplierToGetKeV
if len(args) == 0:
h = promptForNumber('h', 0.)
k = promptForNumber('k', 0.)
l = promptForNumber('l', 0.)
if None in (h, k, l):
_handleInputError("h,k and l must all be numbers")
reply = promptForInput('current pos', 'y')
if reply in ('y', 'Y', 'yes'):
positionList = settings.hardware.get_position() # @UndefinedVariable
energy = settings.hardware.get_energy() # @UndefinedVariable
else:
currentPos = settings.hardware.get_position() # @UndefinedVariable
positionList = []
names = settings.hardware.get_axes_names() # @UndefinedVariable
for i, angleName in enumerate(names):
val = promptForNumber(angleName.rjust(7), currentPos[i])
if val is None:
_handleInputError("Please enter a number, or press"
" Return to accept default!")
return
positionList.append(val)
energy = promptForNumber('energy', settings.hardware.get_energy() / multiplier) # @UndefinedVariable
if energy is None:
_handleInputError("Please enter a number, or press "
"Return to accept default!")
return
energy *= multiplier
tag = promptForInput("tag")
if tag == '':
tag = None
pos = settings.geometry.physical_angles_to_internal_position(positionList) # @UndefinedVariable
ubcalc.add_reflection(h, k, l, pos, energy, tag,
datetime.now())
elif len(args) in (1, 2, 3, 4):
args = list(args)
h, k, l = args.pop(0)
if not (isnum(h) and isnum(k) and isnum(l)):
raise TypeError("h,k and l must all be numbers")
if len(args) >= 2:
pos = settings.geometry.physical_angles_to_internal_position( # @UndefinedVariable
args.pop(0))
energy = args.pop(0) * multiplier
if not isnum(energy):
raise TypeError("Energy value must be a number")
else:
pos = settings.geometry.physical_angles_to_internal_position( # @UndefinedVariable
settings.hardware.get_position()) # @UndefinedVariable
energy = settings.hardware.get_energy() # @UndefinedVariable
if len(args) == 1:
tag = args.pop(0)
if not isinstance(tag, str):
raise TypeError("Tag value must be a string")
if tag == '':
tag = None
else:
tag = None
ubcalc.add_reflection(h, k, l, pos, energy, tag,
datetime.now())
else:
raise TypeError("Too many parameters specified for addref command.")
def addref(*args):
"""
addref -- add reflection interactively
addref [h k l] {'tag'} -- add reflection with current position and energy
addref [h k l] (p1, .., pN) energy {'tag'} -- add arbitrary reflection
"""
if len(args) == 0:
h = promptForNumber('h', 0.)
k = promptForNumber('k', 0.)
l = promptForNumber('l', 0.)
if None in (h, k, l):
_handleInputError("h,k and l must all be numbers")
reply = promptForInput('current pos', 'y')
if reply in ('y', 'Y', 'yes'):
positionList = settings.hardware.get_position() # @UndefinedVariable
energy = settings.hardware.get_energy() # @UndefinedVariable
else:
currentPos = settings.hardware.get_position() # @UndefinedVariable
positionList = []
names = settings.hardware.get_axes_names() # @UndefinedVariable
for i, angleName in enumerate(names):
val = promptForNumber(angleName.rjust(7), currentPos[i])
if val is None:
_handleInputError("Please enter a number, or press"
" Return to accept default!")
return
positionList.append(val)
energy = promptForNumber('energy', settings.hardware.get_energy()) # @UndefinedVariable
if val is None:
_handleInputError("Please enter a number, or press "
"Return to accept default!")
return
muliplier = settings.hardware.energyScannableMultiplierToGetKeV # @UndefinedVariable
energy = energy * muliplier
tag = promptForInput("tag")
if tag == '':
tag = None
pos = settings.geometry.physical_angles_to_internal_position(positionList) # @UndefinedVariable
ubcalc.add_reflection(h, k, l, pos, energy, tag,
datetime.now())
elif len(args) in (1, 2, 3, 4):
args = list(args)
h, k, l = args.pop(0)
if not (isnum(h) and isnum(k) and isnum(l)):
raise TypeError()
if len(args) >= 2:
pos = settings.geometry.physical_angles_to_internal_position( # @UndefinedVariable
args.pop(0))
energy = args.pop(0)
if not isnum(energy):
raise TypeError()
else:
pos = settings.geometry.physical_angles_to_internal_position( # @UndefinedVariable
settings.hardware.get_position()) # @UndefinedVariable
energy = settings.hardware.get_energy() # @UndefinedVariable
if len(args) == 1:
tag = args.pop(0)
if not isinstance(tag, str):
raise TypeError()
else:
tag = None
ubcalc.add_reflection(h, k, l, pos, energy, tag,
datetime.now())
else:
raise TypeError()