ChangelogΒΆ

1.1.1 2018-06-25

  • [Feature] #77: Added Violini resolution calculation to Instrument
  • [Feature] #111: Added custom exceptions to be more descriptive
  • [Feature] #111: Added calculation of UB matrix to Sample via Sample.UBmatrix
  • [Support] #74: Rewrote method for generating 3D plot of resolution ellipsoid
  • [Support] #111: Added factors of 2pi in :py:class`.Lattice`
  • [Support] #111: Added example jupyter notebooks to documentation
  • [Support] #111: Refactored Instrument to support creation of ToF and TAS type instruments

1.0.4 2017-05-18

  • [Feature] #105: Added methods to calculate statistics of data in Scans
  • [Feature] #107: Exposed figure handles in Scans
  • [Bug] #102: Fixes problem with building of Q in Data when some data not available
  • [Bug] #106: Fixed typo in calculation of Magnetic Form Factor in MagneticFormFactor
  • [Bug] #108: Fixed continuous integration builds
  • [Bug] #109: Fixed Anaconda and PYPI automatic deployment
  • [Support] #104: Updated documentation for Data and Material
  • [Support] #110: Added jupyter notebook examples to documentation

1.0.3 2017-02-17

  • [Feature] #93: Added Ce3+ magnetic form factor
  • [Feature] #96: Added __repr__ methods to Data, Material, Atom, Lattice, etc.
  • [Bug] #98: Fixed bug concerning loading files with unicode characters in the file name
  • [Bug] #99: Changed input requirements of Scans to be an collections.OrderedDict
  • [Bug] #101: Fixed KeyError when using Data attributes where one or more of the data columns is not defined
  • [Support] #94: Removed default matplotlib formatting, also fixes a import problem
  • [Support] #95: Refactor setup.py and automated package building by CI
  • [Support] #100: Updated examples documentation for the Data
  • [Support] #103: Updated examples and docstring for Material to reflect proper usage of massNorm key

1.0.2 2016-12-15

  • [Feature] #80: Rewrite of fitting routines into pure python implementation using LMFIT package
  • [Feature] #82: Added ability to compare between Data and Instrument objects
  • [Feature] #86: Enhanced Data.integrate, Data.position, Data.width
  • [Feature] #89: Depreciated support for py26 and py33, and changed to py.test from nose. Added nan_policy kwarg to Fitter
  • [Feature] #90: Added automatic conda builds for tagged releases
  • [Feature] #91: Added Scans class to build collections of Data objects for easier plotting
  • [Feature] #92: Updated documentation and made bug fixes to Fitter and load_data
  • [Bug] #81: Fixed error in functions.gaussian2d
  • [Bug] #84: Fixed typo in resolution.ui to select 'Co0.92Fe0.08(200)' as monochromator/analyzer in neutronpy.gui
  • [Support] #83: Added developer guide and changed to semantic version numbering

1.0.0 2016-05-10

  • [Feature] #73: Added support for saving Data and Instrument objects to disk
  • [Feature] #68: Background subtraction added to Data
  • [Bug] #72: Fixed problem with io namespace by renaming it to fileio

1.0.0-b3 2016-04-24

  • [Feature] #71: Added Currat-Axe spurion method spurion.currat_axe_peaks
  • [Feature] #67: All data is now imported from files when using load_data. Binning is now more generalized.

1.0.0-b1 2016-04-07

  • [Feature] #63: Added gui for resolution calculations, invoked by gui.launch
  • [Feature] #65: Added SpaceGroup to generate all symmetry operations given space group symbol, and added SpaceGroup to Material to symmetrize crystal structures
  • [Feature] #64: Added basic physical models to models
  • [Feature] #62: Major refactoring, breaks backwards compatibility. See documentation for new usage.
  • [Bug] #53: Added xlabel and ylabel to data plotting method Data.plot
  • [Bug] #54: Fixed documentation to reflect correct usage of mono.dir, ana.dir and sample.dir to define handedness of spectrometer
  • [Bug] #55: Fixed call of prefactor function pref in Instrument.resolution_convolution and Instrument.resolution_convolution_SMA to include W
  • [Bug] #56: Fixed handling of ACCURACY input argument in Instrument.resolution_convolution and Instrument.resolution_convolution_SMA
  • [Bug] #57: Fixed R0 prefactors calculated by Instrument.calc_resolution to be consistent with ResLib
  • [Bug] #58: Fixed error in Instrument.resolution_convolution_SMA and Instrument.resolution_convolution giving incorrect lineshapes
  • [Bug] #61: Fixed error handling in Instrument.calc_resolution_in_Q_coords for scattering triangle not closing
  • [Support] #60: Added documentation to Monochromator and Analyzer concerning focusing

0.3.5 2016-02-26

  • [Bug] #48: Fixed error when u and v were defined at list types instead of ndarray in Sample
  • [Bug] #49: Fixed incorrect usage of strftime in Instrument.plot_projections
  • [Bug] #50: Explicitly defined vertical mosaic vmosaic in Sample
  • [Bug] #51: Fixed default behavior of Instrument.moncor variable in Instrument to coincide with documentation
  • [Support] #52: Updated License from BSD 3-Clause to MIT License

0.3.4 2016-01-21

  • [Bug] #42: Fixed variable name moncar to correct name moncor in Instrument
  • [Bug] #43: Fixed GetTau handling of getlabel option
  • [Bug] #44: Fixed calculation of Data.scattering_function to use detector counts as expected
  • [Bug] #45: Fixed save to form output array correctly, removed 'nexus' and 'binary' as output formats, and added 'hdf5' and 'pickle' as output formats
  • [Bug] #46: Fixed behavior of division operations on Data objects for Python 3
  • [Bug] #47: Resolved errors and warnings generated by sphinx autodoc, documentation now should build without error
  • [Support] #40: Added unittests for all libraries to increase code coverage
  • [Support] #41: Added documentation for spurion library, corrected docs for resolution and core libraries

0.3.3 2016-01-15

  • [Bug] #38: Fixed problem with Sample Shape matrix being the wrong shape upon initialization generating error in Instrument.calc_resolution_in_Q_coords
  • [Support] #37: Updated example documentation for Material
  • [Support] #39: Updated TravisCI test environments to include Python 3.5 and latest versions of numpy and scipy

0.3.2 2015-09-02

  • [Feature] #24: Added plotting of Instrument setup diagram with :py:meth`.Instrument.plot_instrument`
  • [Feature] #34: Added method Instrument.plot_ellipsoid
  • [Bug] #33: Fixed error in Instrument.calc_projections where only giving one point would generate an error

0.3.1 2015-08-14

  • [Feature] #27: Added proper error handling to Data.bin
  • [Feature] #31: Beginnings of a Goniometer class added for future ability for crystal alignment
  • [Feature] #32: Added a Aluminum spurion calculator
  • [Bug] #29: Fixed problem with forked processes not closing after completing
  • [Bug] #30: Added ability to specify seed for Monte Carlo technique in Instrument.resolution_convolution

0.3.0 2015-03-31

  • [Feature] #17: Instrument has been refactored to be more self contained and pythonic
  • [Feature] #22: Convolution algorithm methods added to Instrument: resolution_convolution and resolution_convolution_SMA
  • [Feature] #23: Added plot_projections to give simple plots of resolution ellipses in three different views
  • [Feature] #26: Added resolution.load to load experimental setup from files
  • [Bug] #25: Fixed ComplexWarning in the structural form factor calculation which was casting complex values to only real

0.2.0 2015-03-11

  • [Feature] #15: Data class rewrite. Data is now loaded with load method, not using Data class.
  • [Bug] #18: Structure factor calculation now can use sparse arrays as generated by meshgrid
  • [Bug] #19: Files loaded even if some default data headers are not found in file
  • [Bug] #20: Prefactor now taken into account when loading ICP files
  • [Support] #16: Documentation for Material and Instrument classes updated

0.1.3 2014-12-30

  • [Bug] #18: Update Material.calc_str_fac to include better checking of input hkl tuple

0.1.2 2014-09-22

  • [Feature] #11: tools package has been changed to core package and package contents are accessible from root level neutronpy.
  • [Support] #12: Major overhaul of documentation, including new theme based on ReadTheDocs style

0.1.1 2014-09-12

  • [Feature] #6: Added time to Data for normalization purposes
  • [Bug] #5: Update Data.bin to use binary search algorithm for speed increase
  • [Bug] #7: Added tolerances to Data.combine_data so that small differences in Q will be ignored

0.1.0 2014-09-09

  • [Feature] #1: Added error plots to Data using Data.plot
  • [Feature] #2: Added fitting to Data.plot with fit_options argument
  • [Support] #3: Added examples for Fitter to documentation
  • [Support] #4: Added examples for Data to documentation