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xrt-1.1.0
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22 changes: 22 additions & 0 deletions LICENSE.txt
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The MIT License
---------------

Copyright (c) 2014 Konstantin Klementiev, Roman Chernikov

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in
all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
THE SOFTWARE.
149 changes: 149 additions & 0 deletions PKG-INFO
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Metadata-Version: 1.1
Name: xrt
Version: 1.1.0
Summary: Ray tracing and wave propagation in x-ray regime, primarily meant for modeling synchrotron beamlines and beamline elements
Home-page: http://pythonhosted.org/xrt
Author: ('Konstantin Klementiev', 'Roman Chernikov')
Author-email: first DOT last AT gmail DOT com
License: MIT License
Description:
Package xrt (XRayTracer) is a python software library for ray tracing and wave
propagation in x-ray regime. It is primarily meant for modeling synchrotron
sources, beamlines and beamline elements. Includes a GUI tool for creating
scripts.

Features of xrt
---------------
* *Rays and waves*. Classical ray tracing and wave propagation via Kirchhoff
integrals, also freely intermixed. No further approximations, such as thin
lens or paraxial. The optical surfaces may have figure errors, analytical or
measured. In wave propagation, partially coherent radiation is treated by
incoherent addition of coherently diffracted fields generated per electron.

* *Publication quality graphics*. 1D and 2D position histograms are
*simultaneously* coded by hue and brightness. Typically, colors represent
energy and brightness represents beam intensity. The user may select other
quantities to be encoded by colors: angular and positional distributions,
various polarization properties, beam categories, number of reflections,
incidence angle etc. Brightness can also encode partial flux for a selected
polarization and incident or absorbed power. Publication quality plots are
provided by matplotlib with image formats PNG, PostScript, PDF and SVG.

* *Unlimited number of rays*. The colored histograms are *cumulative*. The
accumulation can be stopped and resumed.

* *Parallel execution*. xrt can be run in parallel in several threads or
processes (can be opted), which accelerates the execution on multi-core
computers. Alternatively, xrt can use the power of GPUs via OpenCL for
running special tasks such as the calculation of an undulator source or
performing wave propagation.

* *Scripting in Python*. xrt can be run within Python scripts to generate a
series of images under changing geometrical or physical parameters. The image
brightness and 1D histograms can be normalized to the global maximum
throughout the series.

* *Synchrotron sources*. Bending magnet, wiggler, undulator and elliptic
undulator are calculated internally within xrt. There is also a legacy
approach to sampling synchrotron sources using the codes `ws` and `urgent`
which are parts of XOP package. Please look the section `Comparison of
synchrotron source codes` for the comparison between the implementations. If
the photon source is one of the synchrotron sources, the total flux in the
beam is reported not just in number of rays but in physical units of ph/s.
The total power or absorbed power can be opted instead of flux and is
reported in W. The power density can be visualized by isolines. The magnetic
gap of undulators can be tapered. Undulators can be calculated in near field.
Undulators can be calculated on GPU, with a high gain in computation speed,
which is important for tapering and near field calculations.

* *Shapes*. There are several predefined shapes of optical elements implemented
as python classes. The inheritance mechanism simplifies creation of other
shapes. The user specifies methods for the surface height and the surface
normal. For asymmetric crystals, the normal to the atomic planes can be
additionally given. The surface and the normals are defined either in local
(x, y) coordinates or in user-defined parametric coordinates. Parametric
representation enables closed shapes such as capillaries or wave guides. It
also enables exact solutions for complex shapes (e.g. a logarithmic spiral)
without any expansion. The methods of finding the intersections of rays with
the surface are very robust and can cope with pathological cases as sharp
surface kinks. Notice that the search for intersection points does not
involve any approximation and has only numerical inaccuracy which is set by
default as 1 fm. Any surface can be combined with a (differently and variably
oriented) crystal structure and/or (variable) grating vector. Surfaces can be
faceted.

* *Energy dispersive elements*. Implemented are crystals in dynamical
diffraction, gratings (also with efficiency calculations), Fresnel zone
plates, Bragg-Fresnel optics and multilayers in dynamical diffraction.
Crystals can work in Bragg or Laue cases, in reflection or in transmission.
The two-field polarization phenomena are fully preserved, also within the
Darwin diffraction plateau, thus enabling the ray tracing of crystal-based
phase retarders.

* *Materials*. The material properties are incorporated using three different
tabulations of the scattering factors, with differently wide and differently
dense energy meshes. Refractive index and absorption coefficient are
calculated from the scattering factors. Two-surface bodies, such as plates or
refractive lenses, are treated with both refraction and absorption.

* *Multiple reflections*. xrt can trace multiple reflections in a single
optical element. This is useful, for example in 'whispering gallery' optics
or in Montel or Wolter mirrors.

* *Non-sequential optics*. xrt can trace non-sequential optics where different
parts of the incoming beam meet different surfaces. Examples of such optics
are poly-capillaries and Wolter mirrors.

* *Global coordinate system*. The optical elements are positioned in a global
coordinate system. This is convenient for modeling a real synchrotron
beamline. The coordinates in this system can be directly taken from a CAD
library. The optical surfaces are defined in their local systems for the
user's convenience.

* *Beam categories*. xrt discriminates rays by several categories: `good`,
`out`, `over` and `dead`. This distinction simplifies the adjustment of
entrance and exit slits. An alarm is triggered if the fraction of dead rays
exceeds a specified level.

* *Portability*. xrt runs on Windows and Unix-like platforms, wherever you can
run python.

* *Examples*. xrt comes with many examples, see the galleries.

xrtQook -- a GUI for creating scripts
-------------------------------------
The main interface to xrt is through a python script. Many examples of such
scripts can be found in the supplied folder 'examples'. The script imports the
modules of xrt, instantiates beamline parts, such as synchrotron or geometric
sources, various optical elements, apertures and screens, specifies required
materials for reflection, refraction or diffraction, defines plots and sets job
parameters.

The Qt tool xrtQook takes these ingredients and prepares a ready to use script
that can be run within the tool itself or in an external Python context.
xrtQook features a parallelly updated help panel that, unlike the main
documentation, provides a complete list of parameters for the used classes,
also including those from the parental classes. xrtQook writes/reads the
recipes of beamlines into/from xml files.

Dependencies
------------
numpy, scipy and matplotlib are required. If you use OpenCL for calculations on
GPU or CPU, you need AMD/NVIDIA drivers, ``Intel CPU only OpenCL runtime``
(these are search key words), pytools and pyopencl. Spiderlib is highly
recommended for nicer view of xrtQook.

Python 2 and 3
--------------
The code can run in both Python branches without any modification.

Platform: OS Independent
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Visualization
15 changes: 15 additions & 0 deletions README.txt
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Installation
------------

Unzip the .zip file into a suitable directory and use
sys.path.append(path-to-xrt)
in your script. You can also install xrt to the standard location by running
python setup.py install from the directory where you have unzipped the archive,
which is less convenient if you try different versions of xrt and/or different
versions of python.

To run xrtQook, simply start xrtQook.pyw from xrt/xrtQook or, if you have
installed xrt by running setup.py, type �xrtQook.pyw� from any location.

Note that python-64-bit is by ~20% faster than the 32-bit version (tested with
WinPython).
153 changes: 153 additions & 0 deletions doc/Makefile
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# Makefile for Sphinx documentation
#

# You can set these variables from the command line.
SPHINXOPTS =
SPHINXBUILD = sphinx-build
PAPER =
BUILDDIR = _build

# Internal variables.
PAPEROPT_a4 = -D latex_paper_size=a4
PAPEROPT_letter = -D latex_paper_size=letter
ALLSPHINXOPTS = -d $(BUILDDIR)/doctrees $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) .
# the i18n builder cannot share the environment and doctrees with the others
I18NSPHINXOPTS = $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) .

.PHONY: help clean html dirhtml singlehtml pickle json htmlhelp qthelp devhelp epub latex latexpdf text man changes linkcheck doctest gettext

help:
@echo "Please use \`make <target>' where <target> is one of"
@echo " html to make standalone HTML files"
@echo " dirhtml to make HTML files named index.html in directories"
@echo " singlehtml to make a single large HTML file"
@echo " pickle to make pickle files"
@echo " json to make JSON files"
@echo " htmlhelp to make HTML files and a HTML help project"
@echo " qthelp to make HTML files and a qthelp project"
@echo " devhelp to make HTML files and a Devhelp project"
@echo " epub to make an epub"
@echo " latex to make LaTeX files, you can set PAPER=a4 or PAPER=letter"
@echo " latexpdf to make LaTeX files and run them through pdflatex"
@echo " text to make text files"
@echo " man to make manual pages"
@echo " texinfo to make Texinfo files"
@echo " info to make Texinfo files and run them through makeinfo"
@echo " gettext to make PO message catalogs"
@echo " changes to make an overview of all changed/added/deprecated items"
@echo " linkcheck to check all external links for integrity"
@echo " doctest to run all doctests embedded in the documentation (if enabled)"

clean:
-rm -rf $(BUILDDIR)/*

html:
$(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html
@echo
@echo "Build finished. The HTML pages are in $(BUILDDIR)/html."

dirhtml:
$(SPHINXBUILD) -b dirhtml $(ALLSPHINXOPTS) $(BUILDDIR)/dirhtml
@echo
@echo "Build finished. The HTML pages are in $(BUILDDIR)/dirhtml."

singlehtml:
$(SPHINXBUILD) -b singlehtml $(ALLSPHINXOPTS) $(BUILDDIR)/singlehtml
@echo
@echo "Build finished. The HTML page is in $(BUILDDIR)/singlehtml."

pickle:
$(SPHINXBUILD) -b pickle $(ALLSPHINXOPTS) $(BUILDDIR)/pickle
@echo
@echo "Build finished; now you can process the pickle files."

json:
$(SPHINXBUILD) -b json $(ALLSPHINXOPTS) $(BUILDDIR)/json
@echo
@echo "Build finished; now you can process the JSON files."

htmlhelp:
$(SPHINXBUILD) -b htmlhelp $(ALLSPHINXOPTS) $(BUILDDIR)/htmlhelp
@echo
@echo "Build finished; now you can run HTML Help Workshop with the" \
".hhp project file in $(BUILDDIR)/htmlhelp."

qthelp:
$(SPHINXBUILD) -b qthelp $(ALLSPHINXOPTS) $(BUILDDIR)/qthelp
@echo
@echo "Build finished; now you can run "qcollectiongenerator" with the" \
".qhcp project file in $(BUILDDIR)/qthelp, like this:"
@echo "# qcollectiongenerator $(BUILDDIR)/qthelp/xrt.qhcp"
@echo "To view the help file:"
@echo "# assistant -collectionFile $(BUILDDIR)/qthelp/xrt.qhc"

devhelp:
$(SPHINXBUILD) -b devhelp $(ALLSPHINXOPTS) $(BUILDDIR)/devhelp
@echo
@echo "Build finished."
@echo "To view the help file:"
@echo "# mkdir -p $$HOME/.local/share/devhelp/xrt"
@echo "# ln -s $(BUILDDIR)/devhelp $$HOME/.local/share/devhelp/xrt"
@echo "# devhelp"

epub:
$(SPHINXBUILD) -b epub $(ALLSPHINXOPTS) $(BUILDDIR)/epub
@echo
@echo "Build finished. The epub file is in $(BUILDDIR)/epub."

latex:
$(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
@echo
@echo "Build finished; the LaTeX files are in $(BUILDDIR)/latex."
@echo "Run \`make' in that directory to run these through (pdf)latex" \
"(use \`make latexpdf' here to do that automatically)."

latexpdf:
$(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
@echo "Running LaTeX files through pdflatex..."
$(MAKE) -C $(BUILDDIR)/latex all-pdf
@echo "pdflatex finished; the PDF files are in $(BUILDDIR)/latex."

text:
$(SPHINXBUILD) -b text $(ALLSPHINXOPTS) $(BUILDDIR)/text
@echo
@echo "Build finished. The text files are in $(BUILDDIR)/text."

man:
$(SPHINXBUILD) -b man $(ALLSPHINXOPTS) $(BUILDDIR)/man
@echo
@echo "Build finished. The manual pages are in $(BUILDDIR)/man."

texinfo:
$(SPHINXBUILD) -b texinfo $(ALLSPHINXOPTS) $(BUILDDIR)/texinfo
@echo
@echo "Build finished. The Texinfo files are in $(BUILDDIR)/texinfo."
@echo "Run \`make' in that directory to run these through makeinfo" \
"(use \`make info' here to do that automatically)."

info:
$(SPHINXBUILD) -b texinfo $(ALLSPHINXOPTS) $(BUILDDIR)/texinfo
@echo "Running Texinfo files through makeinfo..."
make -C $(BUILDDIR)/texinfo info
@echo "makeinfo finished; the Info files are in $(BUILDDIR)/texinfo."

gettext:
$(SPHINXBUILD) -b gettext $(I18NSPHINXOPTS) $(BUILDDIR)/locale
@echo
@echo "Build finished. The message catalogs are in $(BUILDDIR)/locale."

changes:
$(SPHINXBUILD) -b changes $(ALLSPHINXOPTS) $(BUILDDIR)/changes
@echo
@echo "The overview file is in $(BUILDDIR)/changes."

linkcheck:
$(SPHINXBUILD) -b linkcheck $(ALLSPHINXOPTS) $(BUILDDIR)/linkcheck
@echo
@echo "Link check complete; look for any errors in the above output " \
"or in $(BUILDDIR)/linkcheck/output.txt."

doctest:
$(SPHINXBUILD) -b doctest $(ALLSPHINXOPTS) $(BUILDDIR)/doctest
@echo "Testing of doctests in the sources finished, look at the " \
"results in $(BUILDDIR)/doctest/output.txt."
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