ediff
Package: EDIFF
Processing of electron diffraction patterns.
- Input:
- Image file = an experimental 2D electron diffraction pattern.
- CIF file = a description the expected/theoretical crystal structure.
- Output:
- Comparison of the experimental and theoretical diffractogram.
- If the two difractograms are equivalent, the sample has been identified.
- Technical notes + additional help:
- CIF files can be obtained from www - see ediff.pcryst for details.
- Quick start examples/demos - https://mirekslouf.github.io/ediff/docs
EDIFF modules:
- ediff.bkg = background subtraction for 1D diffraction profiles
- ediff.bkg2d = background subtraction for 2D diffraction patterns
- ediff.calibration = calibration of SAED diffractograms (pixels -> q-vectors)
- ediff.center = find the center of an arbitrary 2D-diffraction pattern
- ediff.io = input/output operations (read diffractogram, set plot params...)
- ediff.gcryst = functions from geometric/general crystallography
- ediff.mcryst = calculate monocrystal diffraction patterns
- ediff.pcryst = calculate polycrystal/powder diffraction patterns
- ediff.radial = calculate the 1D-radial profile from a 2D-diffraction pattern
1''' 2Package: EDIFF 3-------------- 4Processing of electron diffraction patterns. 5 6* Input: 7 - Image file = an experimental 2D electron diffraction pattern. 8 - CIF file = a description the expected/theoretical crystal structure. 9* Output: 10 - Comparison of the *experimental* and *theoretical* diffractogram. 11 - If the two difractograms are equivalent, the sample has been identified. 12* Technical notes + additional help: 13 - CIF files can be obtained from www - see ediff.pcryst for details. 14 - Quick start examples/demos - https://mirekslouf.github.io/ediff/docs 15 16EDIFF modules: 17 18* ediff.bkg = background subtraction for 1D diffraction profiles 19* ediff.bkg2d = background subtraction for 2D diffraction patterns 20* ediff.calibration = calibration of SAED diffractograms (pixels -> q-vectors) 21* ediff.center = find the center of an arbitrary 2D-diffraction pattern 22* ediff.io = input/output operations (read diffractogram, set plot params...) 23* ediff.gcryst = functions from geometric/general crystallography 24* ediff.mcryst = calculate monocrystal diffraction patterns 25* ediff.pcryst = calculate polycrystal/powder diffraction patterns 26* ediff.radial = calculate the 1D-radial profile from a 2D-diffraction pattern 27''' 28 29__version__ = "1.0.1" 30 31 32# Import of modules so that we could use the package as follows: 33# >>> import ediff as ed 34# >>> ed.io.Diffractogram.read... 35import ediff.calibration 36import ediff.center 37import ediff.gcryst 38import ediff.io 39import ediff.pcryst 40import ediff.radial 41 42 43# This is a slightly special import: 44# * ediff (1) imports ediff.bkg, which (2) imports external bground package 45# * see additional imports in ediff.bkg module to see how it is performed 46# * this "two-step import" enables us to use the ediff module as follows: 47# >>> import ediff as ed 48# >>> DATA = ed.bkg.InputData ... 49# >>> PPAR = ed.bkg.PlotParams ... 50# >>> IPLOT = ed.bkg.InteractivePlot ... 51import ediff.bkg 52 53 54# Obligatory acknowledgement -- the development was co-funded by TACR. 55# TACR requires that the acknowledgement is printed when we run the program. 56# Nevertheless, Python packages run within other programs, not directly. 57# The following code ensures that the acknowledgement is printed when: 58# (1) You run this file: __init__.py 59# (2) You run the package from command line: python -m ediff 60# Technical notes: 61# To get item (2) above, we define __main__.py (next to __init__.py). 62# The usage of __main__.py is not very common, but still quite standard. 63 64def acknowledgement(): 65 print('EDIFF package - process electron diffraction patterns.') 66 print('------') 67 print('The development of the package was co-funded by') 68 print('the Technology agency of the Czech Republic,') 69 print('program NCK, project TN02000020.') 70 71if __name__ == '__main__': 72 acknowledgement()