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#!/usr/bin/env python3
import math
import numpy
import matplotlib
matplotlib.use("Agg")
import matplotlib.pyplot as plt
from matplotlib.backends.backend_pdf import PdfPages
from matplotlib import rcParams
from gi.repository import GLib
import gi
gi.require_version("Hkl", "5.0")
from gi.repository import Hkl
def compute_hkl_trajectories(engines, engine, hkl1=None, hkl2=None, n=100):
"""
compute all the trajectories for a given engine already configured
"""
if not hkl1:
hkl1 = [0, 0, 1]
if not hkl2:
hkl2 = [0, 1, 1]
h = numpy.linspace(hkl1[0], hkl2[0], n + 1)
k = numpy.linspace(hkl1[1], hkl2[1], n + 1)
l = numpy.linspace(hkl1[2], hkl2[2], n + 1)
# set the hkl engine and get the results
trajectories = []
for hh, kk, ll in zip(h, k, l):
try:
solutions = engine.pseudo_axis_values_set([hh, kk, ll], Hkl.UnitEnum.USER)
first_solution = solutions.items()[0]
for i, item in enumerate(solutions.items()):
try:
trajectories[i]
except IndexError:
trajectories.append([])
values = item.geometry_get().axis_values_get(Hkl.UnitEnum.USER)
trajectories[i].append(values)
engines.select_solution(first_solution)
except GLib.GError as err:
pass
return trajectories
def _plot_legend(axes):
plt.subplot(3, 4, 1)
plt.title("legend")
print("legende", 1)
for name in axes:
plt.plot([0, 0], label=name)
plt.legend()
def plot_hkl_trajectory(filename, geometry, engines, hkl1=None, hkl2=None, n=100):
"""
plot the trajectory for a engine. It is possible to limit the
number of trajectory using the max_traj keyword
"""
axis_names = geometry.axis_names_get()
hkl = engines.engine_get_by_name("hkl")
page = 1
plt.clf()
plt.suptitle(
'"' + filename + '" ' + repr(hkl1) + " -> " + repr(hkl2) + " page " + str(page)
)
_plot_legend(axis_names)
idx = 2
for mode in hkl.modes_names_get():
hkl.current_mode_set(mode)
trajectories = compute_hkl_trajectories(engines, hkl, hkl1=hkl1, hkl2=hkl2, n=n)
print('"' + filename + '"', idx, mode, len(trajectories))
plt.subplot(3, 4, idx)
plt.title(mode)
if not len(trajectories):
plt.text(
0.5,
0.5,
"Failed",
size=20,
rotation=0.0,
ha="center",
va="center",
bbox=dict(
boxstyle="round",
ec=(1.0, 0.5, 0.5),
fc=(1.0, 0.8, 0.8),
),
)
plt.draw()
else:
plt.ylim(-180, 180)
if len(trajectories[0]) == 1:
plt.plot(trajectories[0], "o-")
else:
plt.plot(trajectories[0], "-")
idx += 1
if idx > 12:
pp.savefig()
plt.clf()
page += 1
_plot_legend(axis_names)
plt.suptitle(
filename + " " + repr(hkl1) + " -> " + repr(hkl2) + " page " + str(page)
)
idx = 2
pp.savefig()
pp = PdfPages("trajectories.pdf")
rcParams["font.size"] = 6
def main():
sample = Hkl.Sample.new("toto")
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)
detector = Hkl.Detector.factory_new(Hkl.DetectorType(0))
for key, factory in Hkl.factories().items():
geometry = factory.create_new_geometry()
engines = factory.create_new_engine_list()
# here we set the detector arm with only positiv values for
# now tth or delta arm
for axis in geometry.axis_names_get():
if axis in ["tth", "delta"]:
tmp = geometry.axis_get(axis)
tmp.min_max_set(0, 180.0, Hkl.UnitEnum.USER)
geometry.axis_set(axis, tmp)
engines.init(geometry, detector, sample)
engines_names = [engine.name_get() for engine in engines.engines_get()]
if "hkl" in engines_names:
plot_hkl_trajectory(
key, geometry, engines, hkl1=[0, 0, 1], hkl2=[0, 1, 1], n=100
)
pp.close()
if __name__ == "__main__":
main()
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