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#!/usr/bin/env python3
"""
This file is part of the hkl library.
The hkl library is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
The hkl library is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with the hkl library. If not, see <http://www.gnu.org/licenses/>.
Copyright (C) 2012-2013, 2023, 2024 Synchrotron SOLEIL
L'Orme des Merisiers Saint-Aubin
BP 48 91192 GIF-sur-YVETTE CEDEX
Authors: Picca Frédéric-Emmanuel <picca@synchrotron-soleil.fr>
"""
import math
import unittest
from gi.repository import GLib
import gi
gi.require_version("Hkl", "5.0")
from gi.repository import Hkl
class TestAPI(unittest.TestCase):
"""Test all the Hkl API, if something brakes here it means that API
has changed !!!
"""
def test_defines(self):
self.assertTrue((type(Hkl.VERSION)) == str)
def test_vector_api(self):
"""
enforce the Vector api
"""
v = Hkl.Vector()
self.assertTrue(type(v) == Hkl.Vector)
self.assertTrue(type(v.data) == list)
self.assertTrue(3 == len(v.data))
self.assertTrue(v.data == [0.0, 0.0, 0.0])
v.init(1, 2, 3)
self.assertTrue(v.data == [1.0, 2.0, 3.0])
del v
def test_quaternion_api(self):
"""
enforce the Vector api
"""
q = Hkl.Quaternion()
self.assertTrue(type(q) == Hkl.Quaternion)
self.assertTrue(type(q.data) == list)
self.assertTrue(4 == len(q.data))
del q
def test_factory_api(self):
"""
enforce the Factory API
"""
# factories dict <name, Factory>
factories = Hkl.factories()
for key, factory in factories.items():
self.assertTrue(type(key) == str)
self.assertTrue(type(factory) == Hkl.Factory)
# create all the geometry and engines
geometry = factory.create_new_geometry()
self.assertTrue(type(geometry) == Hkl.Geometry)
engines = factory.create_new_engine_list()
self.assertTrue(type(engines) == Hkl.EngineList)
del factories
def test_detector_api(self):
"""
enforce the detector API
"""
# create an 0D HklDetector
detector = Hkl.Detector.factory_new(Hkl.DetectorType(0))
self.assertTrue(type(detector) is Hkl.Detector)
del detector
def test_geometry_api(self):
"""
enforce the geometry API
"""
# get the config for a given geometry and create the
# corresponding HklGeometry
factory = Hkl.factories()["K6C"]
geometry = factory.create_new_geometry()
detector = Hkl.Detector.factory_new(Hkl.DetectorType(0))
sample = Hkl.Sample.new("toto")
# source access
wavelength = 1.0
geometry.wavelength_set(wavelength, Hkl.UnitEnum.USER)
self.assertTrue(wavelength == geometry.wavelength_get(Hkl.UnitEnum.USER)) # noqa
# set the geometry axes values
values_w = [0, 30, 0, 0, 0, 60]
geometry.axis_values_set(values_w, Hkl.UnitEnum.USER)
values_r = geometry.axis_values_get(Hkl.UnitEnum.USER)
# check that the read and write values of the geometry are
# almost equals
for r, w in zip(values_w, values_r):
self.assertAlmostEqual(r, w)
# check that we can access the axes
axis_names = geometry.axis_names_get()
for name in axis_names:
axis = geometry.axis_get(name)
axis.min_max_set(0, math.radians(180), Hkl.UnitEnum.USER)
v = axis.axis_v_get()
q = axis.quaternion_get()
geometry.axis_set(name, axis)
# check xxx_rotation_get
q = geometry.sample_rotation_get(sample)
m = q.to_matrix()
self.assertTrue(type(m) == Hkl.Matrix)
self.assertTrue(type(q) == Hkl.Quaternion)
q = geometry.detector_rotation_get(detector)
m = q.to_matrix()
self.assertTrue(type(m) == Hkl.Matrix)
self.assertTrue(type(q) == Hkl.Quaternion)
# check ki/kf _get
ki = geometry.ki_get()
self.assertTrue(type(ki) == Hkl.Vector)
kf = geometry.kf_get(detector)
self.assertTrue(type(kf) == Hkl.Vector)
del sample
del detector
del geometry
def test_engine_api(self):
"""
enforce the HklEngine API
"""
detector = Hkl.Detector.factory_new(Hkl.DetectorType(0))
factory = Hkl.factories()["K6C"]
geometry = factory.create_new_geometry()
values_w = [0.0, 30.0, 0.0, 0.0, 0.0, 60.0]
geometry.axis_values_set(values_w, Hkl.UnitEnum.USER)
sample = Hkl.Sample.new("toto")
lattice = sample.lattice_get()
lattice.set(1.54, 1.54, 1.54, 90, 90, 90, Hkl.UnitEnum.USER)
sample.lattice_set(lattice)
# compute all the pseudo axes managed by all engines
engines = factory.create_new_engine_list()
engines.init(geometry, detector, sample)
engines.get()
# get the hkl engine and do a computation
hkl = engines.engine_get_by_name("hkl")
values = hkl.pseudo_axis_values_get(Hkl.UnitEnum.USER)
# check for all modes
for mode in hkl.modes_names_get():
self.assertTrue(type(mode) is str)
# set the hkl engine and get the results
for _ in range(100):
try:
solutions = hkl.pseudo_axis_values_set(values, Hkl.UnitEnum.USER)
self.assertTrue(type(solutions) is Hkl.GeometryList)
for item in solutions.items():
self.assertTrue(type(item) is Hkl.GeometryListItem)
self.assertTrue(type(item.geometry_get()) is Hkl.Geometry)
values[1] += 0.01
except GLib.GError as err:
print(values, err)
# check that all the values computed are reachable
for engine in engines.engines_get():
self.assertTrue(type(engine) is Hkl.Engine)
self.assertTrue(type(engine.name_get()) is str)
self.assertTrue(type(engine.pseudo_axis_names_get()) is list)
self.assertTrue(type(engine.modes_names_get()) is list)
self.assertTrue(len(engine.modes_names_get()))
for mode in engine.modes_names_get():
self.assertTrue(type(mode) is str)
values = engine.pseudo_axis_values_get(Hkl.UnitEnum.USER)
self.assertTrue(type(values) is list)
for value in values:
self.assertTrue(type(value) is float)
# check that all engine parameters and axes are reachables
for engine in engines.engines_get():
for mode in engine.modes_names_get():
engine.current_mode_set(mode)
parameters = engine.parameters_names_get()
self.assertTrue(type(parameters) is list)
[self.assertTrue(type(_) is str) for _ in parameters]
# all together
values = engine.parameters_values_get(Hkl.UnitEnum.USER)
[self.assertTrue(type(_) is float) for _ in values]
engine.parameters_values_set(values, Hkl.UnitEnum.USER)
# one by one
for parameter in parameters:
p = engine.parameter_get(parameter)
self.assertTrue(type(p.description_get()) is str)
# check that parameters are writable.
values = engine.parameters_values_get(Hkl.UnitEnum.USER)
values = [1.0] * len(values)
engine.parameters_values_set(values, Hkl.UnitEnum.USER)
[
self.assertTrue(ref == v)
for ref, v in zip(
values, engine.parameters_values_get(Hkl.UnitEnum.USER)
)
]
axes_r = engine.axis_names_get(Hkl.EngineAxisNamesGet.READ)
self.assertTrue(type(axes_r) is list)
[self.assertTrue(type(_) is str) for _ in axes_r]
axes_w = engine.axis_names_get(Hkl.EngineAxisNamesGet.WRITE)
self.assertTrue(type(axes_w) is list)
[self.assertTrue(type(_) is str) for _ in axes_w]
# check all the capabilities
for engine in engines.engines_get():
capabilities = engine.capabilities_get()
self.assertTrue(capabilities & Hkl.EngineCapabilities.READABLE)
if engine.name_get() not in ["incidence", "emergence"]:
self.assertTrue(capabilities & Hkl.EngineCapabilities.WRITABLE)
if engine.name_get() == "psi":
self.assertTrue(capabilities & Hkl.EngineCapabilities.INITIALIZABLE)
# check initialized_get/set
for engine in engines.engines_get():
initialized = engine.initialized_get()
capabilities = engine.capabilities_get()
if capabilities & Hkl.EngineCapabilities.INITIALIZABLE:
engine.initialized_set(False)
self.assertTrue(False == engine.initialized_get())
engine.initialized_set(True)
self.assertTrue(True == engine.initialized_get())
# check all the dependencies
for engine in engines.engines_get():
dependencies = engine.dependencies_get()
self.assertTrue(dependencies & Hkl.EngineDependencies.AXES)
def test_engine_list_api(self):
factories = Hkl.factories()
for key, factory in factories.items():
# print("diffractometer geometry factory = " + str(key))
engines = factory.create_new_engine_list()
# check the parameters
names = engines.parameters_names_get()
self.assertTrue(type(names) is list)
[self.assertTrue(type(_) is str) for _ in names]
# get/set the parameters
for name in names:
p = engines.parameter_get(name)
self.assertTrue(type(p) is Hkl.Parameter)
engines.parameter_set(name, p)
# check that we can get/set the parameters values
values = engines.parameters_values_get(Hkl.UnitEnum.USER)
[self.assertTrue(type(_) is float) for _ in values]
engines.parameters_values_set(values, Hkl.UnitEnum.USER)
@unittest.skip("for testing figures")
def test_doc_example(self):
# execfile("../../Documentation/sphinx/source/bindings/python.py")
execfile("../../Documentation/sphinx/source/pyplots/trajectory_simple.py")
execfile("../../Documentation/sphinx/source/pyplots/trajectory_full.py")
self.assertTrue(False)
def test_lattice_api(self):
lattice = Hkl.Lattice.new(
1.54, 1.54, 1.54, math.radians(90.0), math.radians(90.0), math.radians(90.0)
)
lattice2 = lattice.copy()
# check all the accessors
a = lattice.a_get()
b = lattice.b_get()
c = lattice.c_get()
alpha = lattice.alpha_get()
beta = lattice.beta_get()
gamma = lattice.gamma_get()
lattice.a_set(a)
lattice.b_set(b)
lattice.c_set(c)
lattice.alpha_set(alpha)
lattice.beta_set(beta)
lattice.gamma_set(gamma)
# change the lattice parameter by expanding the tuple from
# the get method. the lattice should not change.
a, b, c, alpha, beta, gamma = lattice.get(Hkl.UnitEnum.DEFAULT)
lattice.set(a, b, c, alpha, beta, gamma, Hkl.UnitEnum.DEFAULT)
# now change the lattice parameter
lattice.set(1, 2, 3, 90, 90, 90, Hkl.UnitEnum.USER)
# this new lattice is different from the one in the sample
self.assertTrue(
lattice.get(Hkl.UnitEnum.DEFAULT) != lattice2.get(Hkl.UnitEnum.DEFAULT)
)
del lattice2
del lattice
def test_sample_api(self):
"""
enforce the HklSample API
"""
# create a sample
sample = Hkl.Sample.new("toto")
self.assertTrue(sample.name_get() == "toto")
# check that the copy constructor is working
copy = sample.copy()
self.assertTrue(copy.name_get() == sample.name_get())
# we can change the name of the copy without affecting the original
copy.name_set("titi")
self.assertTrue(copy.name_get() != sample.name_get())
# set the lattice parameters
lattice = Hkl.Lattice.new(
1.54, 1.54, 1.54, math.radians(90.0), math.radians(90.0), math.radians(90.0)
)
sample.lattice_set(lattice)
# change the lattice parameter by expanding the tuple from
# the get method. the lattice should not change.
a, b, c, alpha, beta, gamma = lattice.get(Hkl.UnitEnum.DEFAULT)
lattice.set(a, b, c, alpha, beta, gamma, Hkl.UnitEnum.DEFAULT)
# this new lattice is identical to the one from the sample
v = lattice.get(Hkl.UnitEnum.DEFAULT)
self.assertTrue(v == sample.lattice_get().get(Hkl.UnitEnum.DEFAULT))
# now change the lattice parameter
lattice.set(1, 2, 3, 90, 90, 90, Hkl.UnitEnum.USER)
# this new lattice is different from the one in the sample
v = lattice.get(Hkl.UnitEnum.DEFAULT)
self.assertTrue(v != sample.lattice_get().get(Hkl.UnitEnum.DEFAULT))
# gives access to the ux, uy, uz part
ux = sample.ux_get()
uy = sample.uy_get()
uz = sample.uz_get()
sample.ux_set(ux)
sample.uy_set(uy)
sample.uz_set(uz)
# read and write the U matrix
U = sample.U_get()
UB = sample.UB_get()
sample.UB_set(UB)
# get the reciprocal lattice
reciprocal = lattice.copy()
lattice.reciprocal(reciprocal)
# get the lattice volume
lattice.volume_get()
del sample
del lattice
def test_reflection_api(self):
detector = Hkl.Detector.factory_new(Hkl.DetectorType(0))
factory = Hkl.factories()["K6C"]
geometry = factory.create_new_geometry()
values_w = [0.0, 30.0, 0.0, 0.0, 0.0, 60.0]
geometry.axis_values_set(values_w, Hkl.UnitEnum.USER)
sample = Hkl.Sample.new("toto")
# add reflection
r1 = sample.add_reflection(geometry, detector, 1, 1, 1)
r2 = sample.add_reflection(geometry, detector, 1, 1, 1)
# get the hkl part
self.assertTrue(r2.hkl_get() == (1.0, 1.0, 1.0))
r2.hkl_set(1, 0, 1)
self.assertTrue(r2.hkl_get() == (1.0, 0.0, 1.0))
# get the flag part
flag = r1.flag_get()
r1.flag_set(flag)
# get the geometry part
g = r1.geometry_get()
r1.geometry_set(g)
# compute the angles
sample.get_reflection_measured_angle(r1, r2)
sample.get_reflection_theoretical_angle(r1, r2)
# remove all the reflections
reflections = sample.reflections_get()
for reflection in reflections:
sample.del_reflection(reflection)
del reflections
del sample
if __name__ == "__main__":
unittest.main(verbosity=2)
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