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# This file is part of xrayutilities.
#
# xrayutilities 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 2 of the License, or
# (at your option) any later version.
#
# This program 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 this program; if not, see <http://www.gnu.org/licenses/>.
#
# Copyright (C) 2012 Dominik Kriegner <dominik.kriegner@gmail.com>
import os.path
from itertools import permutations
import matplotlib as mpl
import matplotlib.pyplot as plt
import numpy
import xrayutilities as xu
from mpl_toolkits.basemap import *
datadir = "data"
eps = 0.01
# plot settings
mpl.rcParams['font.size'] = 18.0
mpl.rcParams['axes.labelsize'] = 'large'
mpl.rcParams['legend.fancybox'] = True
mpl.rcParams['legend.handletextpad'] = 0.5
mpl.rcParams['legend.fontsize'] = 'medium'
mpl.rcParams['figure.subplot.bottom'] = 0.13
mpl.rcParams['figure.subplot.top'] = 0.93
mpl.rcParams['figure.subplot.left'] = 0.14
mpl.rcParams['figure.subplot.right'] = 0.915
mpl.rcParams['savefig.dpi'] = 300
mpl.rcParams['axes.grid'] = False
# substrate
Ge = xu.materials.Ge
hkls = list(permutations([1, 1, 3])) + list(permutations([-1, 1, 3])) +\
list(permutations([-1, -1, 3])) + list(permutations([1, 1, -3])) +\
list(permutations([-1, 1, -3])) + list(permutations([-1, -1, -3]))
tup = []
label = []
for ind in hkls:
tup.append(Ge.Q(*ind))
lab = r'$('
for index in ind:
lab += '%s' % (r'\bar' if index < 0 else '') + str(abs(index))
lab += ')$'
label.append(lab)
df = xu.io.XRDMLFile(os.path.join(datadir, "polefig_Ge113.xrdml.bz2"))
s = df.scan
chi = 90 - s['Psi']
phi = s['Phi']
INT = s['detector']
# create 2D arrays for the angles
CHI = chi[:, numpy.newaxis] * numpy.ones(INT.shape)
PHI = phi
INT = xu.maplog(INT, 6, 0)
fig = plt.figure()
plt.clf()
# plt.title("(113) pole figure")
m = Basemap(boundinglat=-1., lon_0=180.0, resolution=None,
projection='npstere')
X, Y = m(PHI, CHI)
ax = plt.subplot(111)
ax.set_frame_on(False)
CS = m.contourf(X, Y, INT, 50)
m.drawparallels(numpy.arange(0, 91, 10), labels=[1, 1, 1, 1],
color='gray', dashes=[2, 2])
m.drawmeridians(numpy.arange(0, 360, 60), labels=[1, 1, 1, 1],
color='gray', labelstyle='+/-', dashes=[2, 2])
dphi = 62
dchi = -32
inpdir = xu.math.rotarb(Ge.Q(1, -1, 0), Ge.Q(0, 0, 1), dphi)
ndir = xu.math.rotarb(Ge.Q(0, 0, 1), inpdir, dchi)
# plot normaldir
# calculate spherical coordinate angles
[chi, phi] = xu.analysis.getangles(Ge.Q(0, 0, 1), ndir, inpdir)
chi = 90 - chi
phi = phi - dphi
# if direction is visible plot in polefig
if (chi >= -eps):
x, y = m(phi, chi)
m.plot(numpy.array([x]), numpy.array([y]), ls='None', marker='s',
color='k', ms=12.)
# plot Ge {113} Bragg peaks
for i in range(len(tup)):
dir = tup[i]
# calculate spherical coordinate angles
dir = xu.math.rotarb(dir, Ge.Q(0, 0, 1), 27)
[chi, phi] = xu.analysis.getangles(dir, ndir, inpdir)
chi = 90 - chi
phi = phi - dphi
# if direction is visible plot in polefig
if (chi >= -eps):
x, y = m(phi, chi)
m.plot(numpy.array([x]), numpy.array([y]), ls='None', marker='o',
color='k', ms=8., mfc='None', mew=2.)
plt.text(x + 400000, y, label[i], ha='left', va='bottom')
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