mirror of https://github.com/silx-kit/pyFAI.git
190 lines
7.3 KiB
Python
190 lines
7.3 KiB
Python
#!/usr/bin/env python
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# -*- coding: utf-8 -*-
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#
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# Project: Azimuthal integration
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# https://github.com/silx-kit/pyFAI
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#
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# File: "$Id$"
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#
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# Copyright (C) 2018 European Synchrotron Radiation Facility, Grenoble, France
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#
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# Principal author: Jérôme Kieffer (Jerome.Kieffer@ESRF.eu)
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#
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# This program is free software: you can redistribute it and/or modify
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# it under the terms of the GNU General Public License as published by
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# the Free Software Foundation, either version 3 of the License, or
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# (at your option) any later version.
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#
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# This program is distributed in the hope that it will be useful,
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
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#
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# You should have received a copy of the GNU General Public License
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# along with this program. If not, see <http://www.gnu.org/licenses/>.
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#
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"""
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Refine the wavelength from a set of images taken with various geometries.
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For numerical efficiency, the wavelength has to be in ANGSTROM
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Usage:
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$ refine_wavelength -w=1.54 poni1 poni2 poni3 poni4
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"""
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__author__ = "Jérôme Kieffer"
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__contact__ = "Jerome.Kieffer@ESRF.eu"
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__license__ = "GPLv3+"
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__copyright__ = "European Synchrotron Radiation Facility, Grenoble, France"
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__date__ = "29/07/2016"
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import sys, os, logging
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import numpy
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from numpy import sin, arcsin
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from scipy.optimize import fmin_slsqp
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from pyFAI.geometryRefinement import GeometryRefinement
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from pyFAI.third_party import six
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class RefineWavelength(object):
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def __init__(self, wavelength, listFiles=None):
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self.wavelength_init = wavelength
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self.wavelength = wavelength
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self.listFiles = []
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self.listPoni = []
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self.listPoints = []
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self.listRefiner = []
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self.bounds = []
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self.param = []
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if listFiles:
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for oneFile in listFiles:
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self.addFile(oneFile)
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self.param.append(wavelength)
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self.bounds.append((0.9 * wavelength, 1.1 * wavelength))
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self.nbImg = len(self.listPoni)
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def __repr__(self):
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lstTxt = [ "%s\t%6.3f\t%6.3f\t%6.3f\t%6.3f\t%6.3f\t%6.3f" % (j, i.dist, i.poni1, i.poni2, i.rot1, i.rot2, i.rot3) for i, j in zip(self.listRefiner, self.listFiles)]
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lstTxt.append("Wavelength: %s" % self.wavelength)
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return os.linesep.join(lstTxt)
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def addFile(self, filename):
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if filename in self.listFiles:
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return
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basename = os.path.splitext(filename)[0]
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if filename.endswith(".poni") and os.path.isfile(basename + ".py"):
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poni = filename
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pointFile = basename + ".py"
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elif filename.endswith(".py") and os.path.isfile(basename + ".poni"):
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poni = filename
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pointFile = basename + ".py"
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try:
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points = eval(open(pointFile).read().replace("data=", ""))
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except:
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logging.error("error in reading %s" % pointFile)
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return
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refinement = GeometryRefinement(points)
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refinement.load(poni)
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# print refinement
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self.listPoints.append(numpy.array(points).astype("float64"))
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self.listPoni.append(refinement.param)
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refinement.dist_min = 0.5 * refinement.dist
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refinement.dist_max = 2 * refinement.dist
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refinement.poni1_min = min(0.9 * refinement.poni1, 1.1 * refinement.poni1)
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refinement.poni1_max = max(0.9 * refinement.poni1, 1.1 * refinement.poni1)
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refinement.poni2_min = min(0.9 * refinement.poni2, 1.1 * refinement.poni2)
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refinement.poni2_max = max(0.9 * refinement.poni2, 1.1 * refinement.poni2)
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refinement.rot1_min = min(0.9 * refinement.rot1, 1.1 * refinement.rot1)
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refinement.rot1_max = max(0.9 * refinement.rot1, 1.1 * refinement.rot1)
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refinement.rot2_min = min(0.9 * refinement.rot2, 1.1 * refinement.rot2)
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refinement.rot2_max = max(0.9 * refinement.rot2, 1.1 * refinement.rot2)
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refinement.rot3_min = min(0.9 * refinement.rot3, 1.1 * refinement.rot3)
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refinement.rot3_max = max(0.9 * refinement.rot3, 1.1 * refinement.rot3)
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self.listRefiner.append(refinement)
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self.listFiles.append(poni)
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# self.listFiles.append(pointFile)
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self.param += refinement.param
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self.bounds += [(refinement.dist_min, refinement.dist_max),
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(refinement.poni1_min, refinement.poni1_max),
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(refinement.poni2_min, refinement.poni2_max),
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(refinement.rot1_min, refinement.rot1_max),
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(refinement.rot2_min, refinement.rot2_max),
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(refinement.rot3_min, refinement.rot3_max)]
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def residu1(self, param):
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res = []
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for i, ref in enumerate(self.listRefiner):
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points = self.listPoints[i]
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d1 = points[:, 0]
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d2 = points[:, 1]
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tth = 2 * arcsin(param[-1] * sin(points[:, 2] / 2.0) / self.wavelength_init)
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res.append(ref.tth(d1, d2, param[i * 6: (i + 1) * 6]) - tth)
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return numpy.concatenate(tuple(res))
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def residu2(self, param):
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return (self.residu1(param) ** 2).sum()
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def chi2(self, param=None):
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if param is not None:
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return self.residu2(param)
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else:
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return self.residu2(self.param)
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# sum = 0.0
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# for oneRef in self.listRefiner:
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# sum += oneRef.chi2()
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# return sum
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def refine2(self, maxiter=1000):
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param = []
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for i in self.listRefiner:
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param.append(i.param)
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param.append([self.wavelength])
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self.param = numpy.concatenate(tuple(param)).astype("float64")
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newParam = fmin_slsqp(self.residu2, self.param, iter=maxiter,
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bounds=self.bounds, iprint=2,
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acc=1.0e-12)
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print newParam
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print "Constrained Least square", self.chi2(), "--> ", self.chi2(newParam)
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if self.chi2(newParam) < self.chi2():
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i = abs(self.param - newParam).argmax()
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print "maxdelta on: ", i, self.param[i], "-->", newParam[i]
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self.param = newParam
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self.wavelength = newParam[-1]
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for i, ref in enumerate(self.listRefiner):
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ref.param = newParam[6 * i:6 * (i + 1) ]
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ref.dist = newParam[6 * i]
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ref.poni1 = newParam[6 * i + 1]
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ref.poni2 = newParam[6 * i + 2]
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ref.rot1 = newParam[6 * i + 3]
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ref.rot2 = newParam[6 * i + 4]
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ref.rot3 = newParam[6 * i + 5]
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if __name__ == "__main__":
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if len(sys.argv) == 1:
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print __doc__
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sys.exit(1)
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wavelength = None
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listFiles = []
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for arg in sys.argv[1:]:
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if arg.find("-h") in [0, 1]:
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print(__doc__)
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sys.exit(0)
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elif arg.find("-w=") in [0, 1]:
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wavelength = float(arg.split("=")[1])
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elif os.path.isfile(arg):
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listFiles.append(arg)
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if wavelength is None:
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wavelength = six.moves.input("WaveLength (A) ? ")
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refinement = RefineWavelength(wavelength, listFiles)
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print refinement
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last = refinement.chi2() + 1
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# print last - 1
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while refinement.chi2() < last:
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last = refinement.chi2()
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refinement.refine2()
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print refinement
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