Xrayutilities

Latest version: v1.7.10

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1.2.1

* Uiso parsing from CIF files for better structure factors
* support for parsing Rigaku RAS files (Smartlab Guidance)
* new getDetectorPos/Distance routines in QConversion
This can be used for all types of detectors to determine their position and
distance for data normalization purposes
* add FuzzyGridder3D class
* add FuzzyGridder2D class (see mailing-list for details)
* add possibility of Pseudo-Angle (basically arbitrary contraints) to Q2AngFit
* add Carbon(diamond), HOPG materials
* enhancement in FIO file parser
* much improved TIFF file parser
* IntensityNormalizer gained possibility to normalize CCD data

1.2.0

* Radicon file support was removed (no test scripts available!)
* replace pytables by faster and more convenient h5py
* bug fixes/improvements in the file parsers (discovered by the unit tests!)
* new unittests for file parsers (spec, edf, xrdml, esg, nja, fio, cbf, tif)
* added different oxidation states of the chemical elements to the database
* huge speed improvements for the database access, especially when querying
multiple values at the same time
* add PseudoVoigtAsym option in xu.math.peakfit
* memory usage optimization in FastScanCCD

1.1.2

* new webpage theme to allow for easier reading (esp. mobile devices)
* huge set of improvements for working with FastScans (ESRF ID01)
* keep_open option in EDFFile to speed up reading of multiple images
* new convenience function for parsing data from spec-files
* improve peak position finding in area-detector calibration
* added new material AlAs

1.1.1

* new PseudoVoigt1dasym function implementing an asymmetric PseudoVoigt peak
* FuzzyGridder1D: improved 1D gridder using a range of value for each data
point
* fix memory leak in XRDMLFile by abandoning minidom
* edf-parser improvements: support for multiple images per file
* spec-parser improvements, keep file closed when not parsing it
* peak_fit: linear background feature
* peak_fit function: enhancement of automatic initial parameter determination
* improvements in the Material.environment function (occupancy awareness)
* reciprocal space conversion for goniometers with translation-axis in the
detector arms (point, linear, area detectors)
* reciprocal space conversion of energy scans for point, linear, area
detectors
* addition of serval test routines to improve the code quality

1.1.0

* fix bug in Q2Ang with refrac = True (omega angle could have been reported
incorrect and added some geometry checks/warnings)
* more flexibility in sample position/orientation definition
* documentation updates
* small bug fixes in matplotlib import code
* c-header-code cleanup
* reformat c-code to conform to PEP7
* reformat python code to conform to PEP8

1.1.0beta

* new 1D Gridder working consistent with 2D and 3D
* add easy Powder Diffraction cif file parser
* addition of several test routines to improve the code quality
* new mathematical functions in math subpackage
* fixes for possible segfault in the Gridder classes
* considerable reduce size of elements.db file
* FastScan parser for spec-mesh scans and FastScan/kmap data from ESRF
(thanks to RG for help with testing and implementation ideas)
* code-cleanup
* minimal bug-fixes in io (xrdml)
* documentation updates
* add environment function to Materials: function calculates the atomic
neighbors around a given position in the unit cell
* documentation update regarding the Q2Ang and Q2AngFit functions
* fixed inconsistency bug in NonCOP and HXRD's Q2Ang function (thanks to FZ)
* SPEC-file parser improvements
* python3.X compatibilty in single code-base

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