source: sasview/docs/sphinx-docs/source/user/RELEASE.rst @ 1d2a4aa

magnetic_scattrelease-4.2.2ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249unittest-saveload
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Updated release notes. Addresses #1146

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[8ac05a5]1Release Notes
2=============
3
4.. note:: In Windows use [Alt]-[Cursor left] to return to the previous page
5
6.. toctree::
7   :maxdepth: 1
8
9Features
10========
11
12New in Version 4.2.0
13--------------------
14This release heralds many improvements and a host of bug fixes, along with
15some significant changes from previous versions. Further, as promised, it
16marks the end of support for 32 bit operating systems and is only
17available for 64 bit operating systems.
18
19With this version the change to the new model API and plugins infrastructure
[1d2a4aa]20begun with 4.0 is essentially complete (though extensions are in the works,
21and more are likely, they should remain backwardly compatible with previous
[8ac05a5]22versions of SasView).
23
[1d2a4aa]24.. warning:: Old-style plugin models, including old sum|multiply models, continue
25             to be supported (i.e. SasView will run them) in 4.x, although our
26             automatic on-the-fly translation may not cope in all use cases (see
27             Known Issues below). However, this backward compatibility will be
28             removed in 5.0 and users are therefore strongly encouraged to
29             convert their custom models to the new API.
[8ac05a5]30
31Finally, the changes to orientation angles and orientational distribution
32definitions are now also complete.
33
34Changes
35^^^^^^^
36* The infrastucture for calculating 2D patterns from 3D orientated objects
37  has been totally re-factored. It is now more accurate and consistent
38  across models.
39* The way that SasView defines the orientation of anisometric and
40  aligned objects has been completely overhauled. It now differs from
41  previous versions.
42* Plugin models, including sum|multiply models, have completely migrated
43  to the new infrastructure. NOTE that 3.x type models as well as early,
44  intermediate 4.x type models, including those generated by sum|multiply
45  will continue to be supported in 4.x but will likely no longer be
46  supported after the move to 5.0.  Users are strongly encouraged to
47  migrate any custom models.
48* The NeXus loader has been removed as it is superseded by the NXcanSAS
49  standard loader and SasView does not support the treatment of raw
50  data.
51
52Improvements
53^^^^^^^^^^^^
54* The accuracy/speed of some numerical integrations have been improved.
55* An orientation viewer tool has been introduced to assist in
56  understanding the new orientation framework.
57* Problems with the computation of magnetic scattering from some
58  objects have been rectified. Some questions remain however.
59* The known issue with the core_shell_parallelepiped model is now fixed.
[1d2a4aa]60* An error in the be_polyelectrolyte model was identified and rectified, but
61  the fix is yet to be validated.
[8ac05a5]62* A number of issues and inconsistencies with the creation of
63  sum|multiply models have been rectified.
64* A Boltzmann distribution has been added for polydispersity/orientational
65  distributions.
66* Some batch slicing options have been introduced.
67* Correlation function analysis now computes both the 1D and 3D functions.
68* There are several data loading improvements.
69* There are several improvements to Save/Load Project.
[1d2a4aa]70* The SasView version number now appears in Reports.
71* The Release Notes are now available from the program Help menu.
[8ac05a5]72* There have been numerous other bug fixes.
73
74Documentation
75^^^^^^^^^^^^^
76Several sections of the help documentation have undergone significant
77checking and updating, particularly those relating to orientation,
[1d2a4aa]78magnetic scattering, and polydispersity distributions.
79
80Detailed advanced instructions for plugin writing and some scripting
81instructions have also been added.
82
83Concerns about the intended versus implemented meaning of some parameters
84in the bcc_paracrystal, fcc_paracrystal, and sc_paracrystal models have
85been brought to our attention. These have yet to be resolved and so a
86Warning has been placed on each of these models. Anyone who feels they
87may have the requisite expertise to investigate these concerns is strongly
88encouraged to contact the Developers!
[8ac05a5]89
90Other Work
91^^^^^^^^^^
92* A Third-Party initiative has recently succeeded in getting SasView to
93  run on Debian. More details at
94  http://trac.sasview.org/wiki/DevNotes/Projects/Debian
95* With this release we have started to prepare for the inevitable move
96  to Python 3, which will occur with the release of 5.0
97* SasView 5.0 is currently in development. The two most significant
98  features of this version will be (i) a move away from the present
99  WxPython GUIs to new, completely rewritten, Qt5 GUIs, and
100  (ii)implementation of the Beta-approximation for S(Q). Subject to
101  resources, some limited access to the latter functionality may be
102  available in a future SasView 4.x release.
103
104Bug Fixes
105^^^^^^^^^
[1d2a4aa]106* Fixes #  14: Loading a saved project is really really slow
[8ac05a5]107* Fixes # 260: Box integration does not update when entering values in dialog
108* Fixes # 446: Saving plot as PGF (not PDF!) format throws error
109* Fixes # 467: Extend batch functionality to slicer
110* Fixes # 489: ABS reader (NIST 1D) does not handle negative dx properly (USANS slit smearing)
111* Fixes # 499: create sin(x)/x, 2*J1(x)/x and 3*j1(x)/x functions
112* Fixes # 510: Build PDF documentation along with HTML
113* Fixes # 525: Add GUI category defaults to models in sasmodels
114* Fixes # 579: clean up sasview directory
115* Fixes # 597: Need to document Combine Batch Fit
116* Fixes # 645: GUI logic problem in Batch vs single fit mode
117* Fixes # 648: Need to allow user input background value in Pr perspective
118* Fixes # 685: Fix data upload to marketplace
119* Fixes # 695: linear slope in onion model
120* Fixes # 735: Review new Corfunc documentation
121* Fixes # 741: Recalculate P(Q) and S(Q) components on model update.
122* Fixes # 767: Sum/Product Models don't do what they should
123* Fixes # 776: angular dispersity
124* Fixes # 784: Add 3D integral to Correlation Function analysis
125* Fixes # 786: core_shell_parallelepiped 1-D model is incorrect
[1d2a4aa]126* Fixes # 818: “report button” followed by “save” makes an empty pdf file???
127* Fixes # 830: Check compliance of loader against NXcanSAS-1.0 release
[8ac05a5]128* Fixes # 838: Fix model download from marketplace
129* Fixes # 848: can't save analysis when only one fit page
[1d2a4aa]130* Fixes # 849: Load Folder should ignore files starting with .
[8ac05a5]131* Fixes # 852: More unit tests, especially for oriented or 2d models
132* Fixes # 854: remove unnecessary sleep() in fitting perspective
133* Fixes # 856: Reading SAS_OPENCL from custom_config sometimes raises an ERROR
134* Fixes # 861: cannot defined a structure factor plugin
135* Fixes # 864: New Model Editor (simple plugin editor) error parsing parameter line
136* Fixes # 865: Plugin live discovery issues
137* Fixes # 866: inform user when NaN is returned from compute
138* Fixes # 869: fit page computation thread cleanup
139* Fixes # 875: Possible weirdness with 1D NXcanSAS data
140* Fixes # 876: Add check for HDF5 format in dataloader
141* Fixes # 887: reorganize tree, separating the installed source from the build source
142* Fixes # 889: Refactor dataloader error handling infrastructure
143* Fixes # 890: use new orientation definition for asymmetric shapes
144* Fixes # 891: update docs for oriented shapes with new orientation definition
145* Fixes # 896: equations in core shell parallelepiped docs do not match code
146* Fixes # 898: Image Viewer Tool file selector issue
147* Fixes # 899: Igor Reader q calculation
148* Fixes # 902: IgorReader Q calculation needs fixing/improving
149* Fixes # 903: sasview - all non-gui tests should be converted to run in Python 3
150* Fixes # 906: polydispersity not showing up in tabulated results
151* Fixes # 912: About box points to misleading contributors page on Github
[1d2a4aa]152* Fixes # 913: Need to add Diamond developer and logo in relevant places
[8ac05a5]153* Fixes # 915: load project issues
154* Fixes # 916: Proper Logging
155* Fixes # 920: Logarithmic binning option in the slice viewer
156* Fixes # 921: Improve developer communication methods
157* Fixes # 922: Remove support for all data formats that are not in q space
158* Fixes # 923: Add CI and trac integrations to Slack
159* Fixes # 930: fitting help says chisq is normalized to number of points
160* Fixes # 931: Allow admins to edit all models and upload data etc on marketplace
161* Fixes # 932: Need to fix upload of data files to marketplace
162* Fixes # 934: Slurp tutorial repo for tutorials
163* Fixes # 935: Build new tutorials as PDF
164* Fixes # 943: Deep copy error on setting model after data is selected
165* Fixes # 950: Most of the readers don't close files properly.
166* Fixes # 954: cross check dll/opencl/python polydispersity and orientation results
167* Fixes # 956: Possible problem with new doc build process
168* Fixes # 961: sasmodels tests should fail if the parameter name does not exist
169* Fixes # 962: star polymer typo in docs
[1d2a4aa]170* Fixes # 966: Inconsistent chi2 reporting
[8ac05a5]171* Fixes # 967: no uncertainties errors on fitting parameters
172* Fixes # 969: About Box not picking up dls_logo.png
173* Fixes # 970: ASCII loader doesn't handle ISIS 2D ASCII
174* Fixes # 974: blacklist Intel HD 620/630 for double precision
175* Fixes # 978: load project fails for pages which have not been defined
[1d2a4aa]176* Fixes # 980: Inconsistent results between Igor & SasView using Fractal Core-Shell model
[8ac05a5]177* Fixes # 983: Remove Nexus Loader
178* Fixes # 984: PDF reports are not being properly generated on Windows
179* Fixes # 985: Saving Project Fails
180* Fixes # 986: Send to fitting overwrites theory page even if blank FitPage has focus
181* Fixes # 990: utest_sasview.py giving different results than run_one.py
182* Fixes # 993: Windows x64 versions not installing to correct folder
183* Fixes # 994: Error changing fit engine
184* Fixes # 995: OpenCL required on Linux even if turned off in GUI
185* Fixes #1006: multiplicity models don't work with SQ
186* Fixes #1007: spherical_sld model freezes SasView
[1d2a4aa]187* Fixes #1008: plugin model scaling not working?
[8ac05a5]188* Fixes #1010: Win64 build script not creating working executable
189* Fixes #1011: sld_test failing on ubuntu
[1d2a4aa]190* Fixes #1012: ESS GUI not updating after fitting
[8ac05a5]191* Fixes #1013: FileReaderBaseClass output[] not reset - same file loaded multiple times
192* Fixes #1018: add Boltzmann distribution
193* Fixes #1021: add PDF documentation to website and document in wiki release process
194* Fixes #1024: Update version numbers in master
195* Fixes #1025: Sum/multiply editor hangs
[1d2a4aa]196* Fixes #1030: volume normalization for hollow shapes is different from solvent-filled shapes
[8ac05a5]197* Fixes #1032: convert C++ modules to C
198* Fixes #1035: Order of combining P(Q) and S(Q) in Plugins seems to matter
199* Fixes #1037: data loader crop not working? & all fits crashing
200* Fixes #1043: problem compiling marketplace models
[1d2a4aa]201* Fixes #1044: Unable to upload c file to marketplace
202* Fixes #1046: convert non builtin models in the marketplace to new API
[8ac05a5]203* Fixes #1050: fix appveyor test for sasmodels win 64 python 3
204* Fixes #1052: Can't use a user-created plugin model in a plugin model
[1d2a4aa]205* Fixes #1054: Check plugin & orientation descriptions in full docs once SasModels PR #57 is merged
[8ac05a5]206* Fixes #1057: phi rotation issue for elliptical cylinder
207* Fixes #1060: incorrect default for rectangle dispersion
208* Fixes #1062: win32 build not installing correctly
[1d2a4aa]209* Fixes #1064: "Fitting did not converge!!!" error with a Sum|Multi plugin model
210* Fixes #1068: 2d data (from NG7) not loadiing - strange format?
[8ac05a5]211* Fixes #1069: GUI problem when using polydispersity/orientation distributions
212* Fixes #1070: Parameter error boxes should not be editable
[1d2a4aa]213* Fixes #1072: Orientation distributions seem to depend on initial angle
[8ac05a5]214* Fixes #1079: Remove save button in report dialog on Mac
215* Fixes #1081: GUI problem with new orientation distribution
216* Fixes #1083: Magnetic models not being computed
217* Fixes #1099: Erratic behaviour of Sum|Multi model in 4.1.2
218* Fixes #1101: Batch results page not displaying polydispersity values
[1d2a4aa]219* Fixes #1103: Problem with plugin models on mac when using ER
220* Fixes #1128: AutoPlot generation for model documentation does not include background
[8ac05a5]221* Fixes #1131: OpencCl dialog does not open
222* Fixes #1132: Slit Size Calculator Tool not working
[1d2a4aa]223* Fixes #1133: Reference in Acknowledging SasView box will need updating for release
224* Fixes #1134: sum/multi scale factor in 4.2 seems incorrect?
[8ac05a5]225* Fixes #1139: Missing Docs and Help for new Batch Slicing
226* Fixes #1141: Intro to scripting.rst needs improvement
227* Fixes #1142: Plugin framework is broken
228* Fixes #1145: Update models in model marketplace to 4.2 when 4.2 is released.
[1d2a4aa]229* Fixes #1146: Need to add Release notes for 4.2
230* Fixes #1155: BE Polyelectrolyte errors
231* Fixes #1160: fix VR for core_shell_cylinder, fractal_core_shell and hollow_cylinder
232* Fixes #1163: Fix help note in sum of sum|multiply interface
233* Fixes #1164: Sphinx doc build does not support superscript or substitution
234* Fixes #1166: No longer able to report from multiple fit pages
235* Fixes #1167: Clarify the documentation for the Spinodal Model
236* Fixes #1173: more problems with math in plugins
237* Fixes #1174: Update list of contributors on webpage
238* Fixes #1176: Make Release Notes/Known Issues available from Help in Menu Bar
239* Fixes #1179: PDF Report should contain SasView Version Number
240* Fixes #1183: Test from creating new model reset all parameters to default in all open FitPages
241* Fixes #1184: 4.2.0 plugin is does not load earlier project properly
242
243**It is recommended that all users upgrade to this version, but your
244attention is drawn to the Changes section above.**
[8ac05a5]245
246
247New in Version 4.2.0-Beta
248-------------------------
249This is a beta pre-release version of 4.2.0.  A number of fixes and changes
250have been made in the year since the previous release. Full release notes
251will be compiled prior to the full release 4.2.0.
252
253Highlights are:
254
255* Infrastucture for calculating 2D patterns from 3D orientated objects
256  has now been totally refactored
257* Plugins have completely migrated to the new infrastructure now,
258  including sum/multiply models
259* Some batch slicing options have been introduced
260* The known issue with the core_shell_parallelepiped is now fixed
261* Several data loading improvements
262* Several save Project improvements (though there are more to come)
263* Numerous bug fixes
264* Lots of documentation enhancement
265
266In the meantime please report any bugs or issues found while using this beta
267
268
269New in Version 4.1.2
270--------------------
271This point release is a bug-fix release addressing:
272
273* Fixes #984: PDF Reports Generate Empty PDFs
274* Fixes a path typo
275* 64 bit and 32 bit Windows executables now available
276
277It is recommended that all users upgrade to this version
278
279
280New in Version 4.1.1
281--------------------
282This point release is a bug-fix release addressing:
283
284* Fixes #948: Mathjax CDN is going away
285* Fixes #938: Cannot read canSAS1D file output by SasView
286* Fixes #960: Save project throws error if empty fit page
287* Fixes #929: Problem deleting data in first fit page
288* Fixes #918: Test folders not bundled with release
289* Fixes an issue with the live discovery of plugin models
290* Fixes an issue with the NXcanSAS data loader
291* Updated tutorials for SasView 4.x.y
292
293
294New in Version 4.1.0
295--------------------
296This incremental release brings a series of new features and improvements,
297and a host of bug fixes. Of particular note are:
298
299Correlation Function Analysis (Corfunc)
300^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
301This performs a correlation function analysis of one-dimensional SAXS/SANS data,
302or generates a model-independent volume fraction profile from the SANS from an
303adsorbed polymer/surfactant layer.
304
305A correlation function may be interpreted in terms of an imaginary rod moving
306through the structure of the material. G1(R) is the probability that a rod of
307length R moving through the material has equal electron/neutron scattering
308length density at either end. Hence a frequently occurring spacing within a
309structure manifests itself as a peak.
310
311A volume fraction profile \Phi(z) describes how the density of polymer
312segments/surfactant molecules varies with distance from an (assumed locally flat)
313interface. *This is not yet implemented*.
314
315Fitting of SESANS Data
316^^^^^^^^^^^^^^^^^^^^^^
317Data from Spin-Echo SANS measurements can now be loaded and fitted. The data will
318be plotted against the correct axes and models will automatically perform a Hankel
319transform in order to calculate SESANS from a SANS model.
320
321Documentation
322^^^^^^^^^^^^^
323The documentation has undergone significant checking and updating.
324
325Improvements
326^^^^^^^^^^^^
327* Correlation function (corfunc) analysis of 1D SAS data added from CCP13
328* File converter tool for multi-file single column data sets
329* SESANS data loading and direct fitting using the Hankel transformation
330* Saving and loading of simultaneous and constrained fits now supported
331* Save states from SasView v3.x.y now loaded using sasmodel model names
332* Saving and loading of projects with 2D fits now supported
333* Loading a project removes all existing data, fits, and plots
334* Structure factor and form factor can be plotted independently
335* OpenCL is disabled by default and can be enabled through a fit menu
336* Data and theory fields are now independently expandable
337
338Bug Fixes
339^^^^^^^^^
340* Fixes #667: Models computed multiple times on parameters changes
341* Fixes #673: Custom models override built in models of same name
342* Fixes #678: Hard crash when running complex models on GPU
343* Fixes $774: Old style plugin models unloadable
344* Fixes #789: stacked disk scale doesn't match cylinder model
345* Fixes #792: core_shell_fractal uses wrong effective radius
346* Fixes #800: Plot range reset on plot redraws
347* Fixes #811 and #825: 2D smearing broken
348* Fixes #815: Integer model parameter handling
349* Fixes #824: Cannot apply sector averaging when no detector data present
350* Fixes #830: Cansas HDF5 reader fully compliant with NXCanSAS v1.0 format
351* Fixes #835: Fractal model breaks with negative Q values
352* Fixes #843: Multilayer vesicle does not define effective radius
353* Fixes #858: Hayter MSA S(Q) returns errors
354* Numerous grammatical and contexual errors in documention
355
356
357New in Version 4.0.1
358--------------------
359This release fixes the critical bug #750 in P(Q)xS(Q).  Most damaging
360it appears that the background term was being added to S(Q) prior to
361multiplication by P(Q).
362
363
364New in Version 4.0
365------------------
366This release fixes the various bugs found during the alpha and beta testing
367
368Improvements
369^^^^^^^^^^^^
370* Support for reading data files from Anton Paar Saxess instruments
371* Adds documentation on how to write custom models in the new framework
372
373Bug Fixes
374^^^^^^^^^
375* Fixes #604: Pringle model questions
376* Fixes #472: Reparameterize Teubner-Strey
377* Fixes #530: Numerical instabilities in Teubner Strey model
378* Fixes #658: ASCII reader very broken
379
380
381New in Version 4.0 beta 1
382-------------------------
383This beta adds support for the magnetic and multilevel models of 3.1.2
384and along with a host of bug fixes found in the alpha.
385
386Model package changes and improvements
387^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
388* All 3.1.2 models now available in new interface
389* Old custom models should now still work
390* Custom model editor now creates new style models
391* Custom model editor supports better error checking
392 
393.. note:: Old custom models should be converted to the new model format
394          which is now the same as the built-in models and offers much
395          better support. The old custom model format will be deprecated
396          in a future version.
397
398Documentation improvements
399^^^^^^^^^^^^^^^^^^^^^^^^^^
400* Continued general cleanup
401
402Other improvements/additions
403^^^^^^^^^^^^^^^^^^^^^^^^^^^^
404* Support for new canSAS 2D data files added
405* Plot axes range can now be set manually as well as by zooming
406* Plot annotations can now be moved around after being placed on plot.
407* The active optimizer is now listed on the top of the fit panel.
408* Linear fits now update qmin and max when the x scale limits are
409  changed.  Also the plot range no longer resets after a fit.
410
411Bug fixes
412^^^^^^^^^
413* Fixes #511: Errors in linearized fits and clean up of interface
414  including Kratky representation
415* Fixes #186: Data operation Tool now executes when something is
416  entered in the text box and does not wait for the user to hit enter
417* Fixes #459: plot context menu bug
418* Fixes #559: copy to clipboard in graph menu broken
419* Fixes #466: cannot remove a linear fit from graph
420* Numerous bugs introduced in the alpha
421
422
423New in Version 4.0.0-alpha
424--------------------------
425This alpha release brings a major overhaul of the model system. The new model
426package allows rapid integration of custom models and access to polydispersity
427without requiring a compiler.
428
429Model package changes and improvements
430^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
431* Separation of GUI and calculations for future GUI enhancements
432* Model interface moved to independent sasmodels package.
433* Most models converted to new interface.
434* Allows rapid integration of user-written models.
435* OpenCL GPU utilization for faster fitting.
436* Improved numerical integration of Bessel functions.
437
438SESANS integration and implementation
439^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
440* Scripting interface added for analysis of SESANS data.
441* Hankel transformation now accepts finite acceptance angles.
442* 2D cosine transformation added for TOF SESANS analysis.
443
444Documentation improvements
445^^^^^^^^^^^^^^^^^^^^^^^^^^
446* The documentation tree was restructured for a better end user experience.
447* The documentation for each model was revamped and verified by at least
448  two people following the conversion of the model.
449* Theoretical 1D (and 2D if applicable) scattering curves are auto-generated
450  and added to the model documentation for each model.
451   
452Bug fixes
453^^^^^^^^^
454* Fixes #411: No stop button on simultaneous fit page
455* Fixes #410: Error with raspberry model
456* Fixes #364: Possible inconsistency in Poly_GausCoil model
457* Fixes #439: Hayter Penfold MSA code needs checking
458* Fixes #484: lammellerPC is precision limited
459* Fixes #498: $HOME/.matplotlib conflicts
460* Fixes #348: Control order in which fit parameters appear in the gui
461* Fixes #456: Provide DREAM Results Panel with something to identify
462  data and age of results
463* Fixes #556: Build script improvements for developers
464
465
466New in Version 3.1.2
467--------------------
468This release is a major stability improvement, having fixed a serious bug
469that came to light since release 3.1.1. All users should upgrade.
470
471* Fixes #468: broken remove constraint buttons in
472  simultaneous/constrained fitting panel
473* Fixes #474: resulting from changes in 3.1.1 that had
474  introduced an error in the high-Q of slit-smeared models.
475* Fixes #478: which would cause wx to run out of IDs and result
476  in SasView crashing even if left alone.
477* Fixes #479: missing help button on simultaneous/constrained fit page
478* Fixes #480: GUI resizing issues on simultaneous fit page
479* Fixes #486: broken Report Results
480* Fixes #488: redraw issues in fit page
481
482
483New in Version 3.1.1
484--------------------
485Fixes #457 that prevented SasView from starting if the user was not
486connected to the internet, or was behind a proxy server.
487
488
489New in Version 3.1.0
490--------------------
491The documentation/help has had a complete overhaul including:
492
493* A completely new presentation interface (Sphinx).
494* Proof reading!
495* Updating for latest features.
496* A Help (or sometimes ?) button has been added to every panel, and some
497  sub panels if appropriate, linking to the appropriate section in the
498  documentation.
499* The model help has been split so that the Details button now brings up
500  a very short pop-up giving the equation being used while HELP goes to
501  the section in the full documentation describing the model.
502* Extensive help has also been added for the new optimizer engine (see
503  below) including rules of thumb on how and when to choose a given
504  optimizer and what the parameters do.
505
506The optimizer engine has been completely replaced. The new optimizer
507still defaults to the standard Levenberg-Marquardt algorithm. However 4
508other optimizers are now also available. Each starts with a set of default
509parameters which can be tuned. The DREAM optimizer takes the longest but
510is the most powerful and yields rich information including full parameter
511correlation and uncertainty plots. A results panel has been added to
512accommodate this. The five new optimizers are:
513
514* A Levenberg-Marquardt optimizer
515* A Quasi-Newton BFGS optimizer
516* A Nelder-Mead Simplex optimizer
517* A Differential Evolution optimizer
518* A Monte Carlo optimizer (DREAM)
519
520New models were added:
521
522* MicelleSphCoreModel (currently residing in the Uncategorized category)
523
524Existing models were updated:
525
526* LamellarPS (bug in polydispersity integration fixed)
527* RectangularPrismModel
528* RectangularHollowPrismModel
529* RectangularHollowPrismInfThinWallsModel
530
531Other work:
532
533* Infrastructure to allow SESANS data to be fit with models was added. This
534  will become available in a future release but can currently be used from
535  the command line with some caveats.
536* A number of bugs were fixed including a thread crashing issue and an
537  incorrect slit smearing resolution calculation.
538* Implemented much more robust error logging to enable much easier
539  debugging in general but particularly the debugging of issues reported by
540  SasView users.
541* A number of infrastructure tasks under the hood to enhance maintainability
542* Upgrade from Wx 2.8 to Wx 3.0.2 which allows several new features but
543  required significant additional rework as well.
544* Fully implemented Sphinx to the build process to produce both better
545  user documentation and developer documentation.
546* Restructuring of the code base to more unified nomenclature and structure
547  so that the source installation tree more closely matches the installer
548  version tree.
549* Code cleanup (an ongoing task).
550* Migration of the repository to github simplifying contributions from
551  non-project personnel through pull requests.
552
553
554New in Version 3.0.0
555--------------------
556* The GUI look and feel has been refactored to be more familiar for
557  Windows users by using MDI frames. Graph windows are also now free-
558  floating.
559* Five new models have been added: PringlesModel, CoreShellEllipsoidXTModel,
560  RectangularPrismModel, RectangularHollowPrismModel and
561  RectangularHollowPrismInfThinWallsModel.
562* The data loader now supports ILL DAT data files and reads the full meta
563  information from canSAS file formats.
564* Redefined convention for specifying angular parameters for anisotropic
565  models.
566* A number of minor features have been added such as permitting a log
567  distribution of points when using a model to simulate data, and the
568  addition of a Kratky plot option to the linear plots.
569* A number of bugs have also been fixed.
570* Save Project and Save Analysis now work more reliably.
571* BETA: Magnetic contrast supporting full polarization analysis has been
572  implemented for some spherical and cylindrical models.
573* BETA: Two new tools have been added:
574
575  * A generic scattering calculator which takes an atomic, magnetic or
576    SLD distribution in space and generates the appropriate 2D
577    scattering pattern. In some cases the orientationally averaged
578    (powder) 1D scattering can also be computed. Supported formats
579    include: SLD or text, PDB, and OMF magnetic moment distribution
580    file.
581  * An image viewer/converter for data in image format; this reads in
582    an image file and will attempt to convert the image pixels to
583    data. Supported formats include: TIFF, TIF, PNG, BMP, JPG.
584
585
586New in Version 2.2.1
587--------------------
588* Minor patch to support CanSAS XML v1.1 file format
589* Added DataInfo for data in the DataExplorer and plots
590* Added Maximize/Restore button in the title bar of the graphs
591* Added a hide button in the toolbar of the graph panel
592* The 'x' button now deletes a graph
593* Edit SUM Model from the menubar can now generate and save more than one sum model
594* Reports can now be saved in pdf format on WIN and MAC
595* Made significant improvements to the batch/grid panel and fixed several bugs
596* Fixed a number of other minor bugs
597
598
599New in Version 2.2.0
600--------------------
601* Application name changed to SasView
602* New fully customizable Category Manager added for better management of
603  increasing number of models
604* Improved the Grid Window functionality in the batch fitting mode
605* Added a simpler Graph/Plot modification interface
606* Added a new 'Data Operation' tool for addition, subtraction, multiplication,
607  division, of two data sets.
608* The 'Sum Model' editor was extended and renamed 'Summation and Multiplication'
609  editor
610* Added more plot symbols options for 1d plots
611* Added improved trapping of compiling errors to the 'New model editor'
612* Added some intelligent outputs (e.g., Rg, background, or rod diameter
613  depending on the choice of axis scale of the plot) to the linear fits
614* Added more models
615
616
617Feature set from previous versions
618-----------------------------------
619Perspectives Available
620^^^^^^^^^^^^^^^^^^^^^^
621* Invariant calculator: Calculates the invariant, volume fraction, and
622  specific surface area.
623* P(r) inversion calculator: Indirect Fourier transformation method.
624* Fitting: the tool used for modeling and fitting 1D and 2D data to
625  analytical model functions
626* Tools: provides a number of useful supplementary tools such as SLD
627  calculation
[a98c55a]628
[8ac05a5]629Fitting
630^^^^^^^
631* Includes a large number of model functions, both form factors and structure factors.
632* Support P(Q)*S(Q) for form factors that flag they can be so multiplied.
633* Supports Gaussian, lognormal, Shulz, rectangular and custom distribution
634  functions for models that need to include polydispersity or for orientational
635  distributions if appropriate.
636* Anisotropic shapes and magnetic moment modeling in 2D allow for a non-uniform
637  distribution of orientations of a given axis leading to modeling and fitting
638  capabilities of non azimuthaly symmetric data.
639* User can choose to weight fits or not. If using weights, the user can choose
640  the error bar on each point if provided in the file, the square root
641  of the intensity or the intensity itself.
642* Instrumental resolution smearing of model or fits is provided with several
643  options: read the resolution/point fromt he file. Input a pinhole resolution
644  or a slit resolution.
645* Users can define the Qrange (Qmin and Qmax) for both 1D and 2D data for
646  fitting and modeling, but not graphically.  The range can be reset to the
647  defaults (limits of q in data set for a fit) with the reset button.
648* A mask can be applied to 2D calculation and fitting.
649* Normalized residual plots are provided with every fit.
650* Model function help available through detail button or from the fitting panel.
651* Simultaneous/(advanced)constrained fitting allows for fitting a single
652  data set or several different sets simultaneously with the application
653  of advanced constraints relating fit parameters to functions of other
654  parameters (including from a different set). For example thickness of
655  shell = sin(30) times the length.
656* Models that are the sum of two other models can be easily generated through the
657  SUM Model menubar item.
658* New Python models can be added on the fly by creating an appropriate Python
659  file in the model plugin directory. Two tools are provided to help:
660  An easy to use custom model editor allows the quick generation of new Python
661  models by supplying only the parameters and their default value (box 1)
662  and the mathematical function of the model (box 2) and generating the
663  necessary .py file.  A separate advanced model editor provides a full Python
664  file editor.  Either way once saved the model becomes immediately available
665  to the application.
666* A batch fitting capability allows for the analysis of a series of data sets to
667  a single model and provides the results in a tabular form suitable for saving
668  or plotting the evolution of the fit parameters with error bars (from within
669  the application).
[a98c55a]670
[8ac05a5]671Tools
672^^^^^
673* A scattering length density calculator,including some X-ray information
674  is provided.
675* A density to vol. fraction converter is provided
676* In application access to a Python shell/editor (PyCrust) is provided
677* An instrument resolution calculator, including possible gravitational and
678  TOF effects is provided
679* A slit size calculator optimized for Anton Paar Saxess is provided.
680* A kiessig fringe thickness calculator is provided
[a98c55a]681
[8ac05a5]682Plots and plot management
683^^^^^^^^^^^^^^^^^^^^^^^^^
684* A 3D graphing option (for 2d data/results) is provided with the view
685  controlled by the mouse
686* 2D plots are shown with an intensity color bar. 2D Color map can be user
687  adjusted.
688* Supports output of plot to a variety of graphic formats. Supported formats
689  include: png, eps, emf, jpg/jpeg, pdf, ps, tif/tiff, rawRGBbitmap(raw, rgba),
690  and scalable vector graphic (svg/svgz)
691* Supports ouput of data in plot (1 or 2D) to limited data formats
692* Multiple data sets can be loaded into a single graph for viewing (but a fit
693  plot can currently only have a single plot).
694* Extensive context sensitive plot/fitting/manipulation options are available
695  through a right mouse click pop-up menu on plots.
[a98c55a]696
[8ac05a5]697Data management
698^^^^^^^^^^^^^^^
699* Supports 2 + column 1D ASCII data, NIST 1D and 2D data, and canSAS data
700  via plug-in mechanism which can easily allow other readers as appropriate.
701* 2D data is expected in Q space but for historical reasons accepts the
702  NIST 2D raw pixel format and will do conversion internally.
703* The full data and metadata available to SasView is viewable in ASCII via
704  right clicking on a data set and choosing Data Info in the DataExplorer
705  or on the plots
706* Supports loading a single file, multiple files, or a whole folder
707* An optional Data Explorer is provided (default) which simplifies managing,
708  plotting, deleting, or setup for computation. Most functions however do
709  not require access to the explorer/manager and can be accessed through
710  right click menus and the toolbar.  The data explorer can be re-started
711  from the menu bar.
[a98c55a]712
[8ac05a5]713Data manipulation
714^^^^^^^^^^^^^^^^^
715* Support various 2D averaging methods : Circular, sectors, annular,
716  boxsum, boxQx and boxQy.
717* A 2D data maks editor is provided
718* 2D mask can be applied to the circular averaging.
[a98c55a]719
[8ac05a5]720Miscellaneous features
721^^^^^^^^^^^^^^^^^^^^^^
722* Limited reports can be generated in pdf format
723* Provides multiprocessor support(Windows only)
724* Limited startup customization currently includes default startup
725  data folder and choice of default starting with data manager
726* Limited support for saving(opening) a SasView project or a SasView analysis
727  (subproject) is provided.
728* SasView can be launched and loaded with a file of interesty by double-clicking
729  on that file (recognized extension)
730* A data file or data folder can be passed to SasView when launched from
731  the command line.
732* Limited bookmarking capability to later recall the results of a fit calculation
733  is provided.
734* Extensive help is provided through context sensitive mouse roll-over,
735  information bar (at the bottom of the panel), the console menu, and
736  access to the help files in several different ways.
737
738
739Downloading and Installing
740==========================
741
742.. note:: If you have a SasView installer (.EXE or .MSI), you do not need to
743          worry about any of the following.  However, it is highly recommended
744          that any previous versions of SasView are uninstalled prior to
745          installing the new version UNLESS you are installing SasView to
746          versioned folders.
747
748.. note:: The easiest approach to setting up the proper environment to
749          build from source is to use Conda.  Instructions for setting up
750          and using Conda can be found at http://trac.sasview.org/wiki/DevNotes/CondaDevSetup
751                   
752.. note:: Much more information is available at www.sasview.org under
753          links/downloads. In particular, look in the 'For Developers' section.
754          Also have a look at http://trac.sasview.org/
755
756System Requirements
757-------------------
758* Python version >= 2.5 and < 3.0 should be running on the system
759* We currently use Python 2.7
760
761Package Dependencies
762--------------------
763* Ensure the required dependencies are installed
764* For the latest list of dependencies see the appropriate yml file in
765  the SasView repo at sasview/build_tools/conda/ymls
766
767Installing from Source
768----------------------
769* Get the source code
770* Create a folder to contain the source code; if working with
771  multiple versions you might want to use versioned folder names
772  like 'sasview-x.x.x'
773* Open a command line window in the source code folder
774* To get the CURRENT DEVELOPMENT VERSION from source control use
775  git clone https://github.com/SasView/sasview.git sasview
776  git clone https://github.com/Sasview/sasmodels.git sasmodels
777  git clone https://github.com/bumps/bumps.git bumps
778* To get a SPECIFIC RELEASE VERSION from source control go to
779  https://github.com/SasView/sasview/releases
780  and download the required zip or tar.gz file. Unzip/untar it
781  to the source code folder.
782
783Building and Installing
784-----------------------
785* To build the code
786  use 'python setup.py build'
787* To build the documentation
788  use'python setup.py docs'
789
790Running SasView
791---------------
792* use 'python run.py'; this runs from the source directories, so you
793  don't have to rebuild every time you make a change, unless you are
794  changing the C model files.
795* if using Conda the above command will also build SasView, but you
796  must issue 'activate sasview' first.
797
798
799Known Issues
800============
[2ae8579]801
802A full list of known bugs and feature requests by release version that
803users may wish to be aware of can be viewed at http://trac.sasview.org/report/3
[8ac05a5]804
805.. note:: Any corrections to models that may become known/available will be
806          posted to Marketplace as available (and fixed in the following
807          release)
808
[2ae8579]8094.2.0 - All systems
810-------------------
811The refactoring of the plugin model architecture means that some issues
812may be encountered if Save Project/Analysis files using plugin models
813created in earlier versions of SasView are loaded in version 4.2.0.
814
815For example:
816
817* on loading an old project file an error window appears with the error
818  *This model state has missing or outdated information* or *dictionary changed size during iteration*.
819
820   * if this occurs, try restarting SasView and reloading the project.
821   
822* on loading an old project file all the FitPages and Graphs appear, but
823  only the SasView default model parameters appear in the FitPages.
824
825  * this has happened because plugin model parameter names have changed.
826    There are two possible workarounds:
827   
828   * Install the version of SasView that the project was created in,
829     recreate the plugin in that version, then run 4.2.0 and re-load
830     the project. All being well, 4.2.0 will still compile the old
831     plugin.
832
833   * If 4.2.0 cannot compile the old plugin, the more tedious solution
834     is to use a text editor to do global search & replace operations
835     to change all the parameter names in the project file by hand. The
836     quickest way to see the *existing* parameter names is simply to
837     scroll to the bottom of the project file. To see what the *new* 
838     parameter names should be, simply create the equivalent plugin in
839     SasView 4.2.0. In most instances, what was *p1_parameter* will
840     become *A_parameter*, *p2_parameter* will become *B_parameter*,
841     and so on.
842
[8ac05a5]8434.1.x- All systems
844------------------
845The conversion to sasmodels infrastructure is ongoing and should be
846completed in the next release. In the meantime this leads to a few known
847issues:
848
849* The way that orientation is defined is being refactored to address
850  long standing issues and comments.  In release 4.1 however only models
851  with symmetry (e.g. a=b) have been converted to the new definitions.
852  The rest (a <> b <> c - e.g. parellelepiped) maintain the same
853  definition as before and will be converted in 4.2.  Note that
854  orientational distribution also makes much more sense in the new
855  framework.  The documentation should indicate which definition is being
856  used for a given model.
857* The infrastructure currently handles internal conversion of old style
858  models so that user created models in previous versions should continue
859  to work for now. At some point in the future such support will go away.
860  Everyone is encouraged to convert to the new structure which should be
861  relatively straight forward and provides a number of benefits.
862* In that vein, the distributed models and those generated by the new
863  plugin model editor are in the new format, however those generated by
864  sum|multiply models are the old style sum|multiply models. This should
865  also disappear in the near future
866* The on the fly discovery of plugin models and changes thereto behave
867  inconsistently.  If a change to a plugin model does not seem to
868  register, the Load Plugin Models (under fitting -> Plugin Model
869  Operations) can be used.  However, after calling Load Plugin Models, the
870  active plugin will no longer be loaded (even though the GUI looks like
871  it is) unless it is a sum|multiply model which works properly.  All
872  others will need to be recalled from the model dropdown menu to reload
873  the model into the calculation engine.  While it might be annoying it
874  does not appear to prevent SasView from working..
875* The model code and documentation review is ongoing. At this time the
876  core shell parellelepiped is known to have the C shell effectively fixed
877  at 0 (noted in documentation) while the triaxial ellipsoid does not seem
878  to reproduce the limit of the oblate or prolate ellipsoid. If errors are
879  found and corrected, corrected versions will be uploaded to the
880  marketplace.
881
8823.1- All systems
883----------------
884* The documentation window may take a few seconds to load the first time
885  it is called. Also, an internet connection is required before
886  equations will render properly. Until then they will show in their
887  original TeX format.
888* If the documentation window remains stubbornly blank, try installing a
889  different browser and set that as your default browser. Issues have
890  been noted with Internet Explorer 11.
891* Check for Updates may fail (with the status bar message ' Cannot
892  connect to the application server') if your internet connection uses
893  a proxy server. Tested resolutions for this are described on the
894  website FAQ.
895* The copy and paste functions (^C, ^V) in the batch mode results grid
896  require two clicks: one to select the cell and a second to select the
897  contents of the cell.
898* The tutorial has not yet been updated and is somewhat out of date
899* Very old computers may struggle to run the 3.x and later releases
900* Polydispersity on multiple parameters included in a simultaneous/
901  constrained fit will likely not be correct
902* Constrained/simultaneous fit page does not have a stop button
903* Constrained/simultaneous fit do not accept min/max limits
904* Save project does not store the state of all the windows
905* Loading projects can be very slow
906* Save Project only works once a data set has been associated with
907  a model.  Error is reported on status bar.
908* There is a numerical precision problem with the multishell model when
909  the inner radius gets large enough (ticket #288)
910* The angular distribution angles are not clearly defined and may in
911  some cases lead to incorrect calculations(ticket #332)
912
9133.1 - Windows
914-------------
915* If installed to same directory as old version without first removing
916  the old version, the old desktop icon will remain but point to the
917  new exe version. Likewise all the start menu folders and items will
918  have the old name even though pointing to the new version.  Usually
919  safest to uninstall old version prior to installing new version anyway.
920
9213.1 - MAC
922---------
923* Application normally starts up hidden. Click icon in Dock to view/use
924  application.
925* Multiprocessing does not currently work on MAC OS
926
9273.1 - Linux
928-----------
929* Not well tested
930
931
932SasView Website
933===============
934http://www.sasview.org
935
936This main project site is the gateway to all information about the sasview
937project.  It includes information about the project, a FAQ page and links
938to all developer and user information, tools and resources.
939
940
941Frequently Asked Questions
942==========================
943http://www.sasview.org/faq.html
944
945
946Installer Download Website
947==========================
948Latest release Version
949https://github.com/SasView/sasview/releases
950
951Latest developer builds
952https://jenkins.esss.dk/sasview/view/Master-Builds/
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