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2019-03-20 13:52:00 +01:00
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###################################################################################################\
# Diffcalc utilities
###################################################################################################
###################################################################################################\
# Installaling
###################################################################################################
#1- Download from: https://github.com/DiamondLightSource/diffcalc/archive/master.zip
#2- Extract the contents to {script}/Lib/diffcalc
#3- Download http://central.maven.org/maven2/gov/nist/math/jama/1.0.3/jama-1.0.3.jar
# to the extensions folder.
###################################################################################################\
# Library loading and Hardware setup
###################################################################################################
#1- Create a MotorGroup with the diffractometer motors
# e.g. 'sixc', containing mu, delta, gam, eta, chi, phi motors (gam = nu)
# or 'fivec', containing delta, gam, eta, chi, phi motors
# or 'fourc', containing delta, eta, chi, phi motors
#2- Create positioner to read/set the energy in kEv, e.g. named 'en'
#3- Execute: run("diffutils")
#4- Execute: setup_diff(sixc, en)
from __future__ import absolute_import
import traceback
import Jama.Matrix
#diffcalc_path = os.path.abspath(get_context().setup.expandPath("{script}/Lib/diffcalc"))
diffcalc_path = os.path.abspath(get_context().setup.expandPath("{script}/Lib/diffcalc_new"))
if not diffcalc_path in sys.path:
sys.path.append(diffcalc_path)
import diffcalc
from diffcalc import settings
from diffcalc.hkl.you.geometry import YouGeometry,SixCircle, FiveCircle, FourCircle, YouPosition
from diffcalc.hardware import HardwareAdapter
from diffcalc.ub.persistence import UbCalculationNonPersister
from diffcalc.gdasupport.minigda.scannable import ScannableBase, ScannableGroup
#from diffcalc.gdasupport.minigda import command
from diffcalc.hardware import HardwareAdapter
import ch.psi.pshell.device.PositionerConfig as PositionerConfig
import ch.psi.pshell.device.RegisterConfig as RegisterConfig
import ch.psi.pshell.device.Register as Register
_difcalc_names = {}
#
# Disable error handling designed for interactive use
#diffcalc.util.DEBUG = True
###################################################################################################
# Device mapping to difcalc
###################################################################################################
class PositionerScannable(ScannableBase):
def __init__(self, positioner, name = None):
self.positioner = positioner
self.name = positioner.name if name is None else name
self.inputNames = [self.name]
self.outputFormat = ['% 6.4f']
self.level = 3
def isBusy(self):
return self.positioner.state == State.Busy
def waitWhileBusy(self):
self.positioner.waitReady(-1)
def asynchronousMoveTo(self, new_position):
#print "Moving " , self.name, " to: ", new_position
self.positioner.moveAsync(float(new_position), -1)
def getPosition(self):
return self.positioner.getPosition()
def _get_diffcalc_axis_names():
nu_name=diffcalc.hkl.you.constraints.NUNAME
return ("mu", "delta", nu_name, "eta", "chi", "phi")
class PositionerScannableGroup(ScannableGroup):
def __init__(self, name, motors, diffcalc_axis_names=None):
self.name = name
global _difcalc_names
_difcalc_names = {}
positioners = []
if diffcalc_axis_names is None:
if len(motors) == 6: diffcalc_axis_names = _get_diffcalc_axis_names()
elif len(motors) == 5: diffcalc_axis_names = ("delta", "gam", "eta", "chi", " phi")
elif len(motors) == 4: diffcalc_axis_names = ("delta", "eta", "chi", " phi")
self.diffcalc_axis_names = diffcalc_axis_names
for i in range(len(motors)):
_difcalc_names[motors[i]] = diffcalc_axis_names[i]
exec('self.' + diffcalc_axis_names[i] + ' = PositionerScannable(' + motors[i].name + ', "' +diffcalc_axis_names[i] + '")')
exec('positioners.append(self.' + diffcalc_axis_names[i] + ')' )
#for m in motors:
# exec('self.' + m.name + ' = PositionerScannable(' + m.name + ', "' + m.name + '")')
# exec('positioners.append(self.' + m.name + ')' )
ScannableGroup.__init__(self, self.name, positioners)
class MotorGroupScannable(PositionerScannableGroup):
def __init__(self, motor_group, diffcalc_axis_names=None):
self.motor_group = motor_group
PositionerScannableGroup.__init__(self, motor_group.name, motor_group.motors, diffcalc_axis_names)
class ScannableAdapter(HardwareAdapter):
def __init__(self, diffractometer, energy, energy_multiplier_to_kev=1):
self.diffractometer = diffractometer
self.energy = energy
self.energy_multiplier_to_kev = energy_multiplier_to_kev
input_names = diffractometer.getInputNames()
HardwareAdapter.__init__(self, input_names)
#Returns the current physical POSITIONS
def get_position(self):
"""
pos = getDiffractometerPosition() -- returns the current physical
diffractometer position as a list in degrees
"""
return self.diffractometer.getPosition()
#returns energy in kEv
def get_energy(self):
"""energy = get_energy() -- returns energy in kEv (NOT eV!) """
multiplier = self.energy_multiplier_to_kev
energy = self.energy.getPosition() * multiplier
if energy is None:
raise DiffcalcException("Energy has not been set")
return energy
def get_motor(self,name):
global _motor_group
global _difcalc_names
for m in _difcalc_names.keys():
if _difcalc_names[m] == name:
return m
for m in _motor_group.motors:
if m.name == name:
return m
raise Exception("Invalid axis name: " + str(name))
def get_lower_limit(self, name):
'''returns lower limits by axis name. Limit may be None if not set
'''
m = self.get_motor(name)
ret = m.getMinValue()
if ret == float("NaN"): ret = None
return ret
def get_upper_limit(self, name):
'''returns upper limit by axis name. Limit may be None if not set
'''
m = self.get_motor(name)
ret = m.getMaxValue()
if ret == float("NaN"): ret = None
return ret
def set_lower_limit(self, name, value):
"""value may be None to remove limit"""
if value is None: value = float("NaN")
m = self.get_motor(name)
m.config.minValue =value
def set_upper_limit(self, name, value):
"""value may be None to remove limit"""
if value is None: value = float("NaN")
m = self.get_motor(name)
m.config.maxValue =value
def is_axis_value_within_limits(self, axis_name, value):
m = self.get_motor(axis_name)
upper = self.get_upper_limit(axis_name)
lower = self.get_lower_limit(axis_name)
if upper is None: upper = sys.float_info.max
if lower is None: lower = sys.float_info.min
return lower <= value <= upper
@property
def name(self):
return self.diffractometer.getName()
class MotorGroupAdapter(ScannableAdapter):
def __init__(self, diffractometer, energy, energy_multiplier_to_kev=1, diffcalc_axis_names=None):
self.diffractometer = MotorGroupScannable(diffractometer, diffcalc_axis_names)
self.energy = PositionerScannable(energy)
self.energy.level = 3
ScannableAdapter.__init__(self, self.diffractometer, self.energy, energy_multiplier_to_kev)
class Wavelength(RegisterBase):
def doRead(self):
try:
return get_wavelength().getPosition()
except:
return None
def doWrite(self, val):
get_wavelength().asynchronousMoveTo(val)
###################################################################################################
# HKL Pseudo-devices
###################################################################################################
class HklPositoner (PositionerBase):
def __init__(self, name, index, hkl_group):
PositionerBase.__init__(self, name, PositionerConfig())
self.setParent(hkl_group)
self.index = index
def isReady(self):
return PositionerBase.isReady(self) and self.getParent().isReady()
def doRead(self):
return self.getParent()._setpoint[self.index]
def doWrite(self, value):
#print "Setting " , self.getName(), "to: ", value
pos = [None, None, None]
pos[self.index] = value
self.getParent().write(pos)
def doReadReadback(self):
if java.lang.Thread.currentThread() != self.getParent()._updating_thread:
self.getParent().update()
return self.getParent()._readback[self.index]
class HklGroup(RegisterBase, Register.RegisterArray):
def __init__(self, name):
RegisterBase.__init__(self, name, RegisterConfig())
self.hkl=get_hkl()
self.h, self.k, self.l = HklPositoner("h", 0, self), HklPositoner("k", 1, self), HklPositoner("l", 2, self)
add_device(self.h, True)
add_device(self.k, True)
add_device(self.l, True)
self._setpoint = self.doRead()
self._updating = False
def getSize(self):
return 3
def doRead(self):
try:
self._readback = self.hkl.getPosition()
self._updating_thread = java.lang.Thread.currentThread()
self.h.update()
self.k.update()
self.l.update()
except:
#traceback.print_exc()
self._readback = (None, None, None)
finally:
self._updating_thread = None
return self._readback
def doWrite(self, pos):
self._setpoint = pos
#print "Moving to: " + str(pos)
self.hkl.asynchronousMoveTo(pos)
def sim(self, pos):
return self.hkl.simulateMoveTo(pos)
###################################################################################################
# System setup
###################################################################################################
you = None
dc, ub, hardware, hkl = None, None, None, None
_motor_group = None
def setup_diff(diffractometer, energy, diffcalc_axis_names = None, geometry=None):
"""
diffractometer: Diffraction motor group
energy: Positioner having energy in kev
geometry: YouGeometry extension. If none, uses default
diffcalc_axis_names: if None use defaults:
- mu, delta, gam, eta, chi, phi (six circle)
- delta, gam, eta, chi, phi (ficve circle)
- delta, eta, chi, phi (four circle)
"""
global you, dc, ub, hardware, hkl, _motor_group
_motor_group = diffractometer
you = None
if geometry is not None:
settings.geometry = geometry
elif diffcalc_axis_names is not None:
class CustomGeometry(YouGeometry):
def __init__(self):
self.all_axis_names = _get_diffcalc_axis_names()
self.my_axis_names = diffcalc_axis_names
fixed_constraints = {}
for axis in self.all_axis_names:
if not axis in self.my_axis_names:
fixed_constraints[axis] = 0
YouGeometry.__init__(self, diffractometer.name, fixed_constraints)
def physical_angles_to_internal_position(self, physical_angle_tuple):
pos=[]
index = 0
for axis in self.all_axis_names:
pos.append(physical_angle_tuple[index] if (axis in self.my_axis_names) else 0)
index = index+1
pos.append("DEG")#units
return YouPosition(*pos)
def internal_position_to_physical_angles(self, internal_position):
#pos = internal_position.totuple()
pos = internal_position.clone()
pos.changeToDegrees()
pos = pos.totuple()
ret = []
for i in range (len(self.all_axis_names)):
if self.all_axis_names[i] in self.my_axis_names:
ret.append(pos[i])
return tuple(ret)
settings.geometry = CustomGeometry()
elif len(diffractometer.motors) == 6:
settings.geometry = SixCircle()
elif len(diffractometer.motors) == 5:
settings.geometry = FiveCircle()
elif len(diffractometer.motors) == 4:
settings.geometry = FourCircle()
else:
raise Exception("Invalid motor group")
settings.hardware = MotorGroupAdapter(diffractometer, energy, diffcalc_axis_names = diffcalc_axis_names)
settings.ubcalc_persister = UbCalculationNonPersister()
settings.axes_scannable_group = settings.hardware.diffractometer
settings.energy_scannable = settings.hardware.energy
settings.ubcalc_strategy = diffcalc.hkl.you.calc.YouUbCalcStrategy()
settings.angles_to_hkl_function = diffcalc.hkl.you.calc.youAnglesToHkl
from diffcalc.gdasupport import you
reload(you)
# These must be imported AFTER the settings have been configured
from diffcalc.dc import dcyou as dc
from diffcalc.ub import ub
from diffcalc import hardware
from diffcalc.hkl.you import hkl
add_device(HklGroup("hkl_group"), True)
add_device(Wavelength("wavelength", 6), True)
hkl_group.polling = 250
wavelength.polling = 250
def setup_axis(motor, min=None, max=None, cut=None):
name = _difcalc_names[motor]
if min is not None: hardware.setmin(name, min)
if max is not None: hardware.setmax(name, max)
if cut is not None: hardware.setcut(name, cut)
def print_axis_setup():
print "Diffcalc names:"
for m in _difcalc_names.keys():
print " \t" + m.name + " = " + _difcalc_names[m]
print "------------------------------------------------------"
hardware.hardware()
###################################################################################################
# Acceess functions
###################################################################################################
def get_diff():
return settings.hardware.diffractometer
def get_en():
return settings.hardware.energy
def get_motor_group():
return _motor_group
def get_wavelength():
return you.wl
def get_hkl():
return you.hkl
def hkl_to_angles(h, k, l, energy=None):
return dc.hkl_to_angles(h, k, l, energy)
def angles_to_hkl(positions, energy=None):
return dc.angles_to_hkl(positions, energy)
def hkl_read():
return hkl_group.read()
def hkl_write(h, k, l):
hkl_group.write([h,k,l])
def hkl_simulate(h, k, l):
return hkl_group.sim([h,k,l])
def con(*args):
hkl.con(*args)
def uncon(name):
hkl.uncon(name)
def print_con():
hkl.con()
def get_ub_matrix():
return ub.ubcalc._UB.tolist()
###################################################################################################
# HKL Combined Scan
###################################################################################################
def hklscan(vector, readables,latency = 0.0, passes = 1, **pars):
"""
HKL Scan:
Args:
vector(list of lists): HKL values to be scanned
readables(list of Readable): Sensors to be sampled on each step.
latency(float, optional): settling time for each step before readout, defaults to 0.0.
passes(int, optional): number of passes
pars(keyworded variable length arguments, optional): scan optional named arguments:
- title(str, optional): plotting window name.
- hidden(bool, optional): if true generates no effects on user interface.
- before_read (function, optional): callback on each step, before sampling. Arguments: positions, scan
- after_read (function, optional): callback on each step, after sampling. Arguments: record, scan.
- before_pass (function, optional): callback before each scan pass execution. Arguments: pass_num, scan.
- after_pass (function, optional): callback after each scan pass execution. Arguments: pass_num, scan.
- Aditional arguments defined by set_exec_pars.
Returns:
ScanResult object.
"""
readables=to_list(string_to_obj(readables))
pars["initial_move"] = False
scan = ManualScan([h,k,l], readables ,vector[0], vector[-1], [len(vector)-1] * 3, dimensions = 1)
if not "domain_axis" in pars.keys():
pars["domain_axis"] = "Index"
processScanPars(scan, pars)
scan.start()
try:
for pos in vector:
#print "Writing ", pos
hkl_group.write(pos)
time.sleep(0.1) #Make sure is busy
get_motor_group().update()
get_motor_group().waitReady(-1)
time.sleep(latency)
hkl_group.update()
scan.append ([h.take(), k.take(), l.take()], [h.getPosition(), k.getPosition(), l.getPosition()], [readable.read() for readable in readables ])
finally:
scan.end()
return scan.result
def test_diffcalc():
print "Start test"
en.move(20.0)
delta.config.maxSpeed = 50.0
delta.speed = 50.0
delta.move(1.0)
#Setup
setup_diff(sixc, en)
setup_axis('gam', 0, 179)
setup_axis('delta', 0, 179)
setup_axis('delta', min=0)
setup_axis('phi', cut=-180.0)
print_axis_setup()
#Orientation
help(ub.ub)
ub.listub()
# Create a new ub calculation and set lattice parameters
ub.newub('test')
ub.setlat('cubic', 1, 1, 1, 90, 90, 90)
# Add 1st reflection (demonstrating the hardware adapter)
settings.hardware.wavelength = 1
ub.c2th([1, 0, 0]) # energy from hardware
settings.hardware.position = 0, 60, 0, 30, 0, 0
ub.addref([1, 0, 0])# energy and position from hardware
# Add 2nd reflection (this time without the harware adapter)
ub.c2th([0, 1, 0], 12.39842)
ub.addref([0, 1, 0], [0, 60, 0, 30, 0, 90], 12.39842)
# check the state
ub.ub()
ub.checkub()
#Constraints
help(hkl.con)
hkl.con('qaz', 90)
hkl.con('a_eq_b')
hkl.con('mu', 0)
hkl.con()
#Motion
print angles_to_hkl((0., 60., 0., 30., 0., 0.))
print hkl_to_angles(1, 0, 0)
sixc.write([0, 60, 0, 30, 90, 0])
print "sixc=" , sixc.position
wavelength.write(1.0)
print "wavelength = ", wavelength.read()
ub.lastub()
ub.setu ([[1, 0, 0], [0, 1, 0], [0, 0, 1]])
ub.showref()
ub.swapref(1,2)
#print you.hkl
#pos(get_hkl())
hkl_group.read()
#you.hkl.simulateMoveTo([0,1,1])
#sim(get_hkl(), [0,1,1])
hkl_group.sim([0.0,1.0,1.0])
#pos(get_hkl(), [0,1,1])
hkl_group.write([0.0,1.0,1.0])
#Scans
lscan(l, [sin], 1.0, 1.5, 0.1)
ascan([k,l], [sin], [1.0, 1.0], [1.2, 1.3], [0.1, 0.1], zigzag=True, parallel_positioning = False)
vector = [[1.0,1.0,1.0], [1.0,1.0,1.1], [1.0,1.0,1.2], [1.0,1.0,1.4]]
hklscan(vector, [sin, arr], 0.9)