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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
[647d66b6]12New in Version 4.2.1
13--------------------
[5fcb814]14The major changes for this point release were to fix several problems with using
15the built in editor to create new models and to bring the NXcanSAS reader into
16compliance with the final published specification.  The orignal reader was
[db8805f]17based on a draft version of the specification.  As an early adopter,
[5fcb814]18interpretation and implementation of the spec was iterated with all producers
19of NXcanSAS reduced data known to the SasView team in order to ensure
20compatibility and verify the implementation.  A few other enhancements and bug
21fixed were also introduced such as cleaning up the resolution section of the
22fitting page GUI, increasing the max size range allowed in the corfunc
23analysis, and adding the incomplete gamma function to the python library.
[647d66b6]24
25Resolved Issues
26^^^^^^^^^^^^^^^
27* Fixes #  976: CanSas HDF reader will not read all valid CanSas HDF (NXcanSAS) files
[5fcb814]28* Fixes # 1074: Add incomplete gamma function to sasmodels
[647d66b6]29* Fixes # 1111: Convert all input Q units to 1/A
[5fcb814]30* Fixes # 1129: NXcanSAS writer not writing all meta data
31* Fixes # 1142: Plugin framework is broken
32* Fixes # 1183: Test from creating new model reset all parameters to default in all open FitPages
[8514f89]33* Fixes # 1188:   Colons removed from magnetic parameter names to address Python variable issue - done in 4.2. but documented in 4.2.1
[5fcb814]34* Fixes # 1205: 4.2 set weighting choice seems to be ignored.
[647d66b6]35* Fixes # 1206: Incorrect (and confusing) presentation of dQ from data in instrumental smearing section
36* Fixes # 1212: Bug in Iqxqy plotting non rectangular / square matrices?
37* Fixes # 1221: ABS reader does not read in USANS data properly GitHub
38* Fixes # 1222: smearing options incorrect on show2D and show1D in fitpage14: Loading a saved project is really really slow
[5fcb814]39* Fixes # 1223: Expand permitted range of transformed data in Corfunc implementation
[647d66b6]40
41
[8ac05a5]42New in Version 4.2.0
43--------------------
44This release heralds many improvements and a host of bug fixes, along with
45some significant changes from previous versions. Further, as promised, it
46marks the end of support for 32 bit operating systems and is only
47available for 64 bit operating systems.
48
49With this version the change to the new model API and plugins infrastructure
[1d2a4aa]50begun with 4.0 is essentially complete (though extensions are in the works,
51and more are likely, they should remain backwardly compatible with previous
[8ac05a5]52versions of SasView).
53
[1d2a4aa]54.. warning:: Old-style plugin models, including old sum|multiply models, continue
55             to be supported (i.e. SasView will run them) in 4.x, although our
56             automatic on-the-fly translation may not cope in all use cases (see
57             Known Issues below). However, this backward compatibility will be
58             removed in 5.0 and users are therefore strongly encouraged to
59             convert their custom models to the new API.
[8ac05a5]60
61Finally, the changes to orientation angles and orientational distribution
62definitions are now also complete.
63
64Changes
65^^^^^^^
66* The infrastucture for calculating 2D patterns from 3D orientated objects
67  has been totally re-factored. It is now more accurate and consistent
68  across models.
69* The way that SasView defines the orientation of anisometric and
70  aligned objects has been completely overhauled. It now differs from
71  previous versions.
72* Plugin models, including sum|multiply models, have completely migrated
73  to the new infrastructure. NOTE that 3.x type models as well as early,
74  intermediate 4.x type models, including those generated by sum|multiply
75  will continue to be supported in 4.x but will likely no longer be
76  supported after the move to 5.0.  Users are strongly encouraged to
77  migrate any custom models.
78* The NeXus loader has been removed as it is superseded by the NXcanSAS
79  standard loader and SasView does not support the treatment of raw
80  data.
81
82Improvements
83^^^^^^^^^^^^
84* The accuracy/speed of some numerical integrations have been improved.
85* An orientation viewer tool has been introduced to assist in
86  understanding the new orientation framework.
87* Problems with the computation of magnetic scattering from some
88  objects have been rectified. Some questions remain however.
89* The known issue with the core_shell_parallelepiped model is now fixed.
[1d2a4aa]90* An error in the be_polyelectrolyte model was identified and rectified, but
91  the fix is yet to be validated.
[67ed543]92* (Added post-release) An error with the reporting of the scale parameter
93  from the spinodal model was rectified.
[8ac05a5]94* A number of issues and inconsistencies with the creation of
95  sum|multiply models have been rectified.
96* A Boltzmann distribution has been added for polydispersity/orientational
97  distributions.
98* Some batch slicing options have been introduced.
99* Correlation function analysis now computes both the 1D and 3D functions.
100* There are several data loading improvements.
101* There are several improvements to Save/Load Project.
[1d2a4aa]102* The SasView version number now appears in Reports.
103* The Release Notes are now available from the program Help menu.
[8ac05a5]104* There have been numerous other bug fixes.
105
106Documentation
107^^^^^^^^^^^^^
108Several sections of the help documentation have undergone significant
109checking and updating, particularly those relating to orientation,
[1d2a4aa]110magnetic scattering, and polydispersity distributions.
111
112Detailed advanced instructions for plugin writing and some scripting
113instructions have also been added.
114
115Concerns about the intended versus implemented meaning of some parameters
116in the bcc_paracrystal, fcc_paracrystal, and sc_paracrystal models have
117been brought to our attention. These have yet to be resolved and so a
118Warning has been placed on each of these models. Anyone who feels they
119may have the requisite expertise to investigate these concerns is strongly
120encouraged to contact the Developers!
[8ac05a5]121
122Other Work
123^^^^^^^^^^
124* A Third-Party initiative has recently succeeded in getting SasView to
125  run on Debian. More details at
126  http://trac.sasview.org/wiki/DevNotes/Projects/Debian
127* With this release we have started to prepare for the inevitable move
128  to Python 3, which will occur with the release of 5.0
129* SasView 5.0 is currently in development. The two most significant
130  features of this version will be (i) a move away from the present
131  WxPython GUIs to new, completely rewritten, Qt5 GUIs, and
132  (ii)implementation of the Beta-approximation for S(Q). Subject to
133  resources, some limited access to the latter functionality may be
134  available in a future SasView 4.x release.
135
136Bug Fixes
137^^^^^^^^^
[1d2a4aa]138* Fixes #  14: Loading a saved project is really really slow
[8ac05a5]139* Fixes # 260: Box integration does not update when entering values in dialog
140* Fixes # 446: Saving plot as PGF (not PDF!) format throws error
141* Fixes # 467: Extend batch functionality to slicer
142* Fixes # 489: ABS reader (NIST 1D) does not handle negative dx properly (USANS slit smearing)
143* Fixes # 499: create sin(x)/x, 2*J1(x)/x and 3*j1(x)/x functions
144* Fixes # 510: Build PDF documentation along with HTML
145* Fixes # 525: Add GUI category defaults to models in sasmodels
146* Fixes # 579: clean up sasview directory
147* Fixes # 597: Need to document Combine Batch Fit
148* Fixes # 645: GUI logic problem in Batch vs single fit mode
149* Fixes # 648: Need to allow user input background value in Pr perspective
150* Fixes # 685: Fix data upload to marketplace
151* Fixes # 695: linear slope in onion model
152* Fixes # 735: Review new Corfunc documentation
153* Fixes # 741: Recalculate P(Q) and S(Q) components on model update.
154* Fixes # 767: Sum/Product Models don't do what they should
155* Fixes # 776: angular dispersity
156* Fixes # 784: Add 3D integral to Correlation Function analysis
157* Fixes # 786: core_shell_parallelepiped 1-D model is incorrect
[7e5d346]158* Fixes # 818: "report button" followed by "save" makes an empty pdf file???
[1d2a4aa]159* Fixes # 830: Check compliance of loader against NXcanSAS-1.0 release
[8ac05a5]160* Fixes # 838: Fix model download from marketplace
161* Fixes # 848: can't save analysis when only one fit page
[1d2a4aa]162* Fixes # 849: Load Folder should ignore files starting with .
[8ac05a5]163* Fixes # 852: More unit tests, especially for oriented or 2d models
164* Fixes # 854: remove unnecessary sleep() in fitting perspective
165* Fixes # 856: Reading SAS_OPENCL from custom_config sometimes raises an ERROR
166* Fixes # 861: cannot defined a structure factor plugin
167* Fixes # 864: New Model Editor (simple plugin editor) error parsing parameter line
168* Fixes # 865: Plugin live discovery issues
169* Fixes # 866: inform user when NaN is returned from compute
170* Fixes # 869: fit page computation thread cleanup
171* Fixes # 875: Possible weirdness with 1D NXcanSAS data
172* Fixes # 876: Add check for HDF5 format in dataloader
173* Fixes # 887: reorganize tree, separating the installed source from the build source
174* Fixes # 889: Refactor dataloader error handling infrastructure
175* Fixes # 890: use new orientation definition for asymmetric shapes
176* Fixes # 891: update docs for oriented shapes with new orientation definition
177* Fixes # 896: equations in core shell parallelepiped docs do not match code
178* Fixes # 898: Image Viewer Tool file selector issue
179* Fixes # 899: Igor Reader q calculation
180* Fixes # 902: IgorReader Q calculation needs fixing/improving
181* Fixes # 903: sasview - all non-gui tests should be converted to run in Python 3
182* Fixes # 906: polydispersity not showing up in tabulated results
183* Fixes # 912: About box points to misleading contributors page on Github
[1d2a4aa]184* Fixes # 913: Need to add Diamond developer and logo in relevant places
[8ac05a5]185* Fixes # 915: load project issues
186* Fixes # 916: Proper Logging
187* Fixes # 920: Logarithmic binning option in the slice viewer
188* Fixes # 921: Improve developer communication methods
189* Fixes # 922: Remove support for all data formats that are not in q space
190* Fixes # 923: Add CI and trac integrations to Slack
191* Fixes # 930: fitting help says chisq is normalized to number of points
192* Fixes # 931: Allow admins to edit all models and upload data etc on marketplace
193* Fixes # 932: Need to fix upload of data files to marketplace
194* Fixes # 934: Slurp tutorial repo for tutorials
195* Fixes # 935: Build new tutorials as PDF
196* Fixes # 943: Deep copy error on setting model after data is selected
197* Fixes # 950: Most of the readers don't close files properly.
198* Fixes # 954: cross check dll/opencl/python polydispersity and orientation results
199* Fixes # 956: Possible problem with new doc build process
200* Fixes # 961: sasmodels tests should fail if the parameter name does not exist
201* Fixes # 962: star polymer typo in docs
[1d2a4aa]202* Fixes # 966: Inconsistent chi2 reporting
[8ac05a5]203* Fixes # 967: no uncertainties errors on fitting parameters
204* Fixes # 969: About Box not picking up dls_logo.png
205* Fixes # 970: ASCII loader doesn't handle ISIS 2D ASCII
206* Fixes # 974: blacklist Intel HD 620/630 for double precision
207* Fixes # 978: load project fails for pages which have not been defined
208* Fixes # 983: Remove Nexus Loader
209* Fixes # 984: PDF reports are not being properly generated on Windows
210* Fixes # 985: Saving Project Fails
211* Fixes # 986: Send to fitting overwrites theory page even if blank FitPage has focus
212* Fixes # 990: utest_sasview.py giving different results than run_one.py
213* Fixes # 993: Windows x64 versions not installing to correct folder
214* Fixes # 994: Error changing fit engine
215* Fixes # 995: OpenCL required on Linux even if turned off in GUI
216* Fixes #1006: multiplicity models don't work with SQ
217* Fixes #1007: spherical_sld model freezes SasView
[1d2a4aa]218* Fixes #1008: plugin model scaling not working?
[8ac05a5]219* Fixes #1010: Win64 build script not creating working executable
220* Fixes #1011: sld_test failing on ubuntu
221* Fixes #1013: FileReaderBaseClass output[] not reset - same file loaded multiple times
222* Fixes #1018: add Boltzmann distribution
223* Fixes #1021: add PDF documentation to website and document in wiki release process
224* Fixes #1024: Update version numbers in master
225* Fixes #1025: Sum/multiply editor hangs
[1d2a4aa]226* Fixes #1030: volume normalization for hollow shapes is different from solvent-filled shapes
[8ac05a5]227* Fixes #1032: convert C++ modules to C
228* Fixes #1035: Order of combining P(Q) and S(Q) in Plugins seems to matter
229* Fixes #1037: data loader crop not working? & all fits crashing
230* Fixes #1043: problem compiling marketplace models
[1d2a4aa]231* Fixes #1044: Unable to upload c file to marketplace
232* Fixes #1046: convert non builtin models in the marketplace to new API
[8ac05a5]233* Fixes #1050: fix appveyor test for sasmodels win 64 python 3
234* Fixes #1052: Can't use a user-created plugin model in a plugin model
[1d2a4aa]235* Fixes #1054: Check plugin & orientation descriptions in full docs once SasModels PR #57 is merged
[8ac05a5]236* Fixes #1057: phi rotation issue for elliptical cylinder
237* Fixes #1060: incorrect default for rectangle dispersion
238* Fixes #1062: win32 build not installing correctly
[1d2a4aa]239* Fixes #1064: "Fitting did not converge!!!" error with a Sum|Multi plugin model
240* Fixes #1068: 2d data (from NG7) not loadiing - strange format?
[8ac05a5]241* Fixes #1069: GUI problem when using polydispersity/orientation distributions
242* Fixes #1070: Parameter error boxes should not be editable
[1d2a4aa]243* Fixes #1072: Orientation distributions seem to depend on initial angle
[8ac05a5]244* Fixes #1079: Remove save button in report dialog on Mac
245* Fixes #1081: GUI problem with new orientation distribution
246* Fixes #1083: Magnetic models not being computed
247* Fixes #1099: Erratic behaviour of Sum|Multi model in 4.1.2
248* Fixes #1101: Batch results page not displaying polydispersity values
[1d2a4aa]249* Fixes #1128: AutoPlot generation for model documentation does not include background
[8ac05a5]250* Fixes #1131: OpencCl dialog does not open
251* Fixes #1132: Slit Size Calculator Tool not working
252* Fixes #1139: Missing Docs and Help for new Batch Slicing
253* Fixes #1141: Intro to scripting.rst needs improvement
254* Fixes #1142: Plugin framework is broken
255* Fixes #1145: Update models in model marketplace to 4.2 when 4.2 is released.
[1d2a4aa]256* Fixes #1155: BE Polyelectrolyte errors
257* Fixes #1160: fix VR for core_shell_cylinder, fractal_core_shell and hollow_cylinder
258* Fixes #1163: Fix help note in sum of sum|multiply interface
259* Fixes #1164: Sphinx doc build does not support superscript or substitution
260* Fixes #1166: No longer able to report from multiple fit pages
261* Fixes #1167: Clarify the documentation for the Spinodal Model
262* Fixes #1173: more problems with math in plugins
263* Fixes #1176: Make Release Notes/Known Issues available from Help in Menu Bar
264* Fixes #1179: PDF Report should contain SasView Version Number
265* Fixes #1183: Test from creating new model reset all parameters to default in all open FitPages
[fa053ff7]266* Fixes #1188: fitpage hangs if change model while magnetism is on
[67ed543]267* Fixes #1191: Correct erroneous Scale reported by Spinodal model
[1d2a4aa]268
269**It is recommended that all users upgrade to this version, but your
270attention is drawn to the Changes section above.**
[8ac05a5]271
272
273New in Version 4.2.0-Beta
274-------------------------
275This is a beta pre-release version of 4.2.0.  A number of fixes and changes
276have been made in the year since the previous release. Full release notes
277will be compiled prior to the full release 4.2.0.
278
279Highlights are:
280
281* Infrastucture for calculating 2D patterns from 3D orientated objects
282  has now been totally refactored
283* Plugins have completely migrated to the new infrastructure now,
284  including sum/multiply models
285* Some batch slicing options have been introduced
286* The known issue with the core_shell_parallelepiped is now fixed
287* Several data loading improvements
288* Several save Project improvements (though there are more to come)
289* Numerous bug fixes
290* Lots of documentation enhancement
291
292In the meantime please report any bugs or issues found while using this beta
293
294
295New in Version 4.1.2
296--------------------
297This point release is a bug-fix release addressing:
298
299* Fixes #984: PDF Reports Generate Empty PDFs
300* Fixes a path typo
301* 64 bit and 32 bit Windows executables now available
302
303It is recommended that all users upgrade to this version
304
305
306New in Version 4.1.1
307--------------------
308This point release is a bug-fix release addressing:
309
310* Fixes #948: Mathjax CDN is going away
311* Fixes #938: Cannot read canSAS1D file output by SasView
312* Fixes #960: Save project throws error if empty fit page
313* Fixes #929: Problem deleting data in first fit page
314* Fixes #918: Test folders not bundled with release
315* Fixes an issue with the live discovery of plugin models
316* Fixes an issue with the NXcanSAS data loader
317* Updated tutorials for SasView 4.x.y
318
319
320New in Version 4.1.0
321--------------------
322This incremental release brings a series of new features and improvements,
323and a host of bug fixes. Of particular note are:
324
325Correlation Function Analysis (Corfunc)
326^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
327This performs a correlation function analysis of one-dimensional SAXS/SANS data,
328or generates a model-independent volume fraction profile from the SANS from an
329adsorbed polymer/surfactant layer.
330
331A correlation function may be interpreted in terms of an imaginary rod moving
332through the structure of the material. G1(R) is the probability that a rod of
333length R moving through the material has equal electron/neutron scattering
334length density at either end. Hence a frequently occurring spacing within a
335structure manifests itself as a peak.
336
337A volume fraction profile \Phi(z) describes how the density of polymer
338segments/surfactant molecules varies with distance from an (assumed locally flat)
339interface. *This is not yet implemented*.
340
341Fitting of SESANS Data
342^^^^^^^^^^^^^^^^^^^^^^
343Data from Spin-Echo SANS measurements can now be loaded and fitted. The data will
344be plotted against the correct axes and models will automatically perform a Hankel
345transform in order to calculate SESANS from a SANS model.
346
347Documentation
348^^^^^^^^^^^^^
349The documentation has undergone significant checking and updating.
350
351Improvements
352^^^^^^^^^^^^
353* Correlation function (corfunc) analysis of 1D SAS data added from CCP13
354* File converter tool for multi-file single column data sets
355* SESANS data loading and direct fitting using the Hankel transformation
356* Saving and loading of simultaneous and constrained fits now supported
357* Save states from SasView v3.x.y now loaded using sasmodel model names
358* Saving and loading of projects with 2D fits now supported
359* Loading a project removes all existing data, fits, and plots
360* Structure factor and form factor can be plotted independently
361* OpenCL is disabled by default and can be enabled through a fit menu
362* Data and theory fields are now independently expandable
363
364Bug Fixes
365^^^^^^^^^
366* Fixes #667: Models computed multiple times on parameters changes
367* Fixes #673: Custom models override built in models of same name
368* Fixes #678: Hard crash when running complex models on GPU
369* Fixes $774: Old style plugin models unloadable
370* Fixes #789: stacked disk scale doesn't match cylinder model
371* Fixes #792: core_shell_fractal uses wrong effective radius
372* Fixes #800: Plot range reset on plot redraws
373* Fixes #811 and #825: 2D smearing broken
374* Fixes #815: Integer model parameter handling
375* Fixes #824: Cannot apply sector averaging when no detector data present
376* Fixes #830: Cansas HDF5 reader fully compliant with NXCanSAS v1.0 format
377* Fixes #835: Fractal model breaks with negative Q values
378* Fixes #843: Multilayer vesicle does not define effective radius
379* Fixes #858: Hayter MSA S(Q) returns errors
380* Numerous grammatical and contexual errors in documention
381
382
383New in Version 4.0.1
384--------------------
385This release fixes the critical bug #750 in P(Q)xS(Q).  Most damaging
386it appears that the background term was being added to S(Q) prior to
387multiplication by P(Q).
388
389
390New in Version 4.0
391------------------
392This release fixes the various bugs found during the alpha and beta testing
393
394Improvements
395^^^^^^^^^^^^
396* Support for reading data files from Anton Paar Saxess instruments
397* Adds documentation on how to write custom models in the new framework
398
399Bug Fixes
400^^^^^^^^^
401* Fixes #604: Pringle model questions
402* Fixes #472: Reparameterize Teubner-Strey
403* Fixes #530: Numerical instabilities in Teubner Strey model
404* Fixes #658: ASCII reader very broken
405
406
407New in Version 4.0 beta 1
408-------------------------
409This beta adds support for the magnetic and multilevel models of 3.1.2
410and along with a host of bug fixes found in the alpha.
411
412Model package changes and improvements
413^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
414* All 3.1.2 models now available in new interface
415* Old custom models should now still work
416* Custom model editor now creates new style models
417* Custom model editor supports better error checking
418 
419.. note:: Old custom models should be converted to the new model format
420          which is now the same as the built-in models and offers much
421          better support. The old custom model format will be deprecated
422          in a future version.
423
424Documentation improvements
425^^^^^^^^^^^^^^^^^^^^^^^^^^
426* Continued general cleanup
427
428Other improvements/additions
429^^^^^^^^^^^^^^^^^^^^^^^^^^^^
430* Support for new canSAS 2D data files added
431* Plot axes range can now be set manually as well as by zooming
432* Plot annotations can now be moved around after being placed on plot.
433* The active optimizer is now listed on the top of the fit panel.
434* Linear fits now update qmin and max when the x scale limits are
435  changed.  Also the plot range no longer resets after a fit.
436
437Bug fixes
438^^^^^^^^^
439* Fixes #511: Errors in linearized fits and clean up of interface
440  including Kratky representation
441* Fixes #186: Data operation Tool now executes when something is
442  entered in the text box and does not wait for the user to hit enter
443* Fixes #459: plot context menu bug
444* Fixes #559: copy to clipboard in graph menu broken
445* Fixes #466: cannot remove a linear fit from graph
446* Numerous bugs introduced in the alpha
447
448
449New in Version 4.0.0-alpha
450--------------------------
451This alpha release brings a major overhaul of the model system. The new model
452package allows rapid integration of custom models and access to polydispersity
453without requiring a compiler.
454
455Model package changes and improvements
456^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
457* Separation of GUI and calculations for future GUI enhancements
458* Model interface moved to independent sasmodels package.
459* Most models converted to new interface.
460* Allows rapid integration of user-written models.
461* OpenCL GPU utilization for faster fitting.
462* Improved numerical integration of Bessel functions.
463
464SESANS integration and implementation
465^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
466* Scripting interface added for analysis of SESANS data.
467* Hankel transformation now accepts finite acceptance angles.
468* 2D cosine transformation added for TOF SESANS analysis.
469
470Documentation improvements
471^^^^^^^^^^^^^^^^^^^^^^^^^^
472* The documentation tree was restructured for a better end user experience.
473* The documentation for each model was revamped and verified by at least
474  two people following the conversion of the model.
475* Theoretical 1D (and 2D if applicable) scattering curves are auto-generated
476  and added to the model documentation for each model.
477   
478Bug fixes
479^^^^^^^^^
480* Fixes #411: No stop button on simultaneous fit page
481* Fixes #410: Error with raspberry model
482* Fixes #364: Possible inconsistency in Poly_GausCoil model
483* Fixes #439: Hayter Penfold MSA code needs checking
484* Fixes #484: lammellerPC is precision limited
485* Fixes #498: $HOME/.matplotlib conflicts
486* Fixes #348: Control order in which fit parameters appear in the gui
487* Fixes #456: Provide DREAM Results Panel with something to identify
488  data and age of results
489* Fixes #556: Build script improvements for developers
490
491
492New in Version 3.1.2
493--------------------
494This release is a major stability improvement, having fixed a serious bug
495that came to light since release 3.1.1. All users should upgrade.
496
497* Fixes #468: broken remove constraint buttons in
498  simultaneous/constrained fitting panel
499* Fixes #474: resulting from changes in 3.1.1 that had
500  introduced an error in the high-Q of slit-smeared models.
501* Fixes #478: which would cause wx to run out of IDs and result
502  in SasView crashing even if left alone.
503* Fixes #479: missing help button on simultaneous/constrained fit page
504* Fixes #480: GUI resizing issues on simultaneous fit page
505* Fixes #486: broken Report Results
506* Fixes #488: redraw issues in fit page
507
508
509New in Version 3.1.1
510--------------------
511Fixes #457 that prevented SasView from starting if the user was not
512connected to the internet, or was behind a proxy server.
513
514
515New in Version 3.1.0
516--------------------
517The documentation/help has had a complete overhaul including:
518
519* A completely new presentation interface (Sphinx).
520* Proof reading!
521* Updating for latest features.
522* A Help (or sometimes ?) button has been added to every panel, and some
523  sub panels if appropriate, linking to the appropriate section in the
524  documentation.
525* The model help has been split so that the Details button now brings up
526  a very short pop-up giving the equation being used while HELP goes to
527  the section in the full documentation describing the model.
528* Extensive help has also been added for the new optimizer engine (see
529  below) including rules of thumb on how and when to choose a given
530  optimizer and what the parameters do.
531
532The optimizer engine has been completely replaced. The new optimizer
533still defaults to the standard Levenberg-Marquardt algorithm. However 4
534other optimizers are now also available. Each starts with a set of default
535parameters which can be tuned. The DREAM optimizer takes the longest but
536is the most powerful and yields rich information including full parameter
537correlation and uncertainty plots. A results panel has been added to
538accommodate this. The five new optimizers are:
539
540* A Levenberg-Marquardt optimizer
541* A Quasi-Newton BFGS optimizer
542* A Nelder-Mead Simplex optimizer
543* A Differential Evolution optimizer
544* A Monte Carlo optimizer (DREAM)
545
546New models were added:
547
548* MicelleSphCoreModel (currently residing in the Uncategorized category)
549
550Existing models were updated:
551
552* LamellarPS (bug in polydispersity integration fixed)
553* RectangularPrismModel
554* RectangularHollowPrismModel
555* RectangularHollowPrismInfThinWallsModel
556
557Other work:
558
559* Infrastructure to allow SESANS data to be fit with models was added. This
560  will become available in a future release but can currently be used from
561  the command line with some caveats.
562* A number of bugs were fixed including a thread crashing issue and an
563  incorrect slit smearing resolution calculation.
564* Implemented much more robust error logging to enable much easier
565  debugging in general but particularly the debugging of issues reported by
566  SasView users.
567* A number of infrastructure tasks under the hood to enhance maintainability
568* Upgrade from Wx 2.8 to Wx 3.0.2 which allows several new features but
569  required significant additional rework as well.
570* Fully implemented Sphinx to the build process to produce both better
571  user documentation and developer documentation.
572* Restructuring of the code base to more unified nomenclature and structure
573  so that the source installation tree more closely matches the installer
574  version tree.
575* Code cleanup (an ongoing task).
576* Migration of the repository to github simplifying contributions from
577  non-project personnel through pull requests.
578
579
580New in Version 3.0.0
581--------------------
582* The GUI look and feel has been refactored to be more familiar for
583  Windows users by using MDI frames. Graph windows are also now free-
584  floating.
585* Five new models have been added: PringlesModel, CoreShellEllipsoidXTModel,
586  RectangularPrismModel, RectangularHollowPrismModel and
587  RectangularHollowPrismInfThinWallsModel.
588* The data loader now supports ILL DAT data files and reads the full meta
589  information from canSAS file formats.
590* Redefined convention for specifying angular parameters for anisotropic
591  models.
592* A number of minor features have been added such as permitting a log
593  distribution of points when using a model to simulate data, and the
594  addition of a Kratky plot option to the linear plots.
595* A number of bugs have also been fixed.
596* Save Project and Save Analysis now work more reliably.
597* BETA: Magnetic contrast supporting full polarization analysis has been
598  implemented for some spherical and cylindrical models.
599* BETA: Two new tools have been added:
600
601  * A generic scattering calculator which takes an atomic, magnetic or
602    SLD distribution in space and generates the appropriate 2D
603    scattering pattern. In some cases the orientationally averaged
604    (powder) 1D scattering can also be computed. Supported formats
605    include: SLD or text, PDB, and OMF magnetic moment distribution
606    file.
607  * An image viewer/converter for data in image format; this reads in
608    an image file and will attempt to convert the image pixels to
609    data. Supported formats include: TIFF, TIF, PNG, BMP, JPG.
610
611
612New in Version 2.2.1
613--------------------
614* Minor patch to support CanSAS XML v1.1 file format
615* Added DataInfo for data in the DataExplorer and plots
616* Added Maximize/Restore button in the title bar of the graphs
617* Added a hide button in the toolbar of the graph panel
618* The 'x' button now deletes a graph
619* Edit SUM Model from the menubar can now generate and save more than one sum model
620* Reports can now be saved in pdf format on WIN and MAC
621* Made significant improvements to the batch/grid panel and fixed several bugs
622* Fixed a number of other minor bugs
623
624
625New in Version 2.2.0
626--------------------
627* Application name changed to SasView
628* New fully customizable Category Manager added for better management of
629  increasing number of models
630* Improved the Grid Window functionality in the batch fitting mode
631* Added a simpler Graph/Plot modification interface
632* Added a new 'Data Operation' tool for addition, subtraction, multiplication,
633  division, of two data sets.
634* The 'Sum Model' editor was extended and renamed 'Summation and Multiplication'
635  editor
636* Added more plot symbols options for 1d plots
637* Added improved trapping of compiling errors to the 'New model editor'
638* Added some intelligent outputs (e.g., Rg, background, or rod diameter
639  depending on the choice of axis scale of the plot) to the linear fits
640* Added more models
641
642
643Feature set from previous versions
644-----------------------------------
645Perspectives Available
646^^^^^^^^^^^^^^^^^^^^^^
647* Invariant calculator: Calculates the invariant, volume fraction, and
648  specific surface area.
649* P(r) inversion calculator: Indirect Fourier transformation method.
650* Fitting: the tool used for modeling and fitting 1D and 2D data to
651  analytical model functions
652* Tools: provides a number of useful supplementary tools such as SLD
653  calculation
[a98c55a]654
[8ac05a5]655Fitting
656^^^^^^^
657* Includes a large number of model functions, both form factors and structure factors.
658* Support P(Q)*S(Q) for form factors that flag they can be so multiplied.
659* Supports Gaussian, lognormal, Shulz, rectangular and custom distribution
660  functions for models that need to include polydispersity or for orientational
661  distributions if appropriate.
662* Anisotropic shapes and magnetic moment modeling in 2D allow for a non-uniform
663  distribution of orientations of a given axis leading to modeling and fitting
664  capabilities of non azimuthaly symmetric data.
665* User can choose to weight fits or not. If using weights, the user can choose
666  the error bar on each point if provided in the file, the square root
667  of the intensity or the intensity itself.
668* Instrumental resolution smearing of model or fits is provided with several
669  options: read the resolution/point fromt he file. Input a pinhole resolution
670  or a slit resolution.
671* Users can define the Qrange (Qmin and Qmax) for both 1D and 2D data for
672  fitting and modeling, but not graphically.  The range can be reset to the
673  defaults (limits of q in data set for a fit) with the reset button.
674* A mask can be applied to 2D calculation and fitting.
675* Normalized residual plots are provided with every fit.
676* Model function help available through detail button or from the fitting panel.
677* Simultaneous/(advanced)constrained fitting allows for fitting a single
678  data set or several different sets simultaneously with the application
679  of advanced constraints relating fit parameters to functions of other
680  parameters (including from a different set). For example thickness of
681  shell = sin(30) times the length.
682* Models that are the sum of two other models can be easily generated through the
683  SUM Model menubar item.
684* New Python models can be added on the fly by creating an appropriate Python
685  file in the model plugin directory. Two tools are provided to help:
686  An easy to use custom model editor allows the quick generation of new Python
687  models by supplying only the parameters and their default value (box 1)
688  and the mathematical function of the model (box 2) and generating the
689  necessary .py file.  A separate advanced model editor provides a full Python
690  file editor.  Either way once saved the model becomes immediately available
691  to the application.
692* A batch fitting capability allows for the analysis of a series of data sets to
693  a single model and provides the results in a tabular form suitable for saving
694  or plotting the evolution of the fit parameters with error bars (from within
695  the application).
[a98c55a]696
[8ac05a5]697Tools
698^^^^^
699* A scattering length density calculator,including some X-ray information
700  is provided.
701* A density to vol. fraction converter is provided
702* In application access to a Python shell/editor (PyCrust) is provided
703* An instrument resolution calculator, including possible gravitational and
704  TOF effects is provided
705* A slit size calculator optimized for Anton Paar Saxess is provided.
706* A kiessig fringe thickness calculator is provided
[a98c55a]707
[8ac05a5]708Plots and plot management
709^^^^^^^^^^^^^^^^^^^^^^^^^
710* A 3D graphing option (for 2d data/results) is provided with the view
711  controlled by the mouse
712* 2D plots are shown with an intensity color bar. 2D Color map can be user
713  adjusted.
714* Supports output of plot to a variety of graphic formats. Supported formats
715  include: png, eps, emf, jpg/jpeg, pdf, ps, tif/tiff, rawRGBbitmap(raw, rgba),
716  and scalable vector graphic (svg/svgz)
717* Supports ouput of data in plot (1 or 2D) to limited data formats
718* Multiple data sets can be loaded into a single graph for viewing (but a fit
719  plot can currently only have a single plot).
720* Extensive context sensitive plot/fitting/manipulation options are available
721  through a right mouse click pop-up menu on plots.
[a98c55a]722
[8ac05a5]723Data management
724^^^^^^^^^^^^^^^
725* Supports 2 + column 1D ASCII data, NIST 1D and 2D data, and canSAS data
726  via plug-in mechanism which can easily allow other readers as appropriate.
727* 2D data is expected in Q space but for historical reasons accepts the
728  NIST 2D raw pixel format and will do conversion internally.
729* The full data and metadata available to SasView is viewable in ASCII via
730  right clicking on a data set and choosing Data Info in the DataExplorer
731  or on the plots
732* Supports loading a single file, multiple files, or a whole folder
733* An optional Data Explorer is provided (default) which simplifies managing,
734  plotting, deleting, or setup for computation. Most functions however do
735  not require access to the explorer/manager and can be accessed through
736  right click menus and the toolbar.  The data explorer can be re-started
737  from the menu bar.
[a98c55a]738
[8ac05a5]739Data manipulation
740^^^^^^^^^^^^^^^^^
741* Support various 2D averaging methods : Circular, sectors, annular,
742  boxsum, boxQx and boxQy.
743* A 2D data maks editor is provided
744* 2D mask can be applied to the circular averaging.
[a98c55a]745
[8ac05a5]746Miscellaneous features
747^^^^^^^^^^^^^^^^^^^^^^
748* Limited reports can be generated in pdf format
749* Provides multiprocessor support(Windows only)
750* Limited startup customization currently includes default startup
751  data folder and choice of default starting with data manager
752* Limited support for saving(opening) a SasView project or a SasView analysis
753  (subproject) is provided.
754* SasView can be launched and loaded with a file of interesty by double-clicking
755  on that file (recognized extension)
756* A data file or data folder can be passed to SasView when launched from
757  the command line.
758* Limited bookmarking capability to later recall the results of a fit calculation
759  is provided.
760* Extensive help is provided through context sensitive mouse roll-over,
761  information bar (at the bottom of the panel), the console menu, and
762  access to the help files in several different ways.
763
764
765Downloading and Installing
766==========================
767
768.. note:: If you have a SasView installer (.EXE or .MSI), you do not need to
769          worry about any of the following.  However, it is highly recommended
770          that any previous versions of SasView are uninstalled prior to
771          installing the new version UNLESS you are installing SasView to
[7e5d346]772          versioned folders. **We recommend you avoid using folder paths
773          that contain spaces or characters that cannot be found on a
774          standard keyboard (eg, characters with accents, umlauts, etc).**
[8ac05a5]775
776.. note:: The easiest approach to setting up the proper environment to
777          build from source is to use Conda.  Instructions for setting up
778          and using Conda can be found at http://trac.sasview.org/wiki/DevNotes/CondaDevSetup
779                   
780.. note:: Much more information is available at www.sasview.org under
781          links/downloads. In particular, look in the 'For Developers' section.
782          Also have a look at http://trac.sasview.org/
783
784System Requirements
785-------------------
786* Python version >= 2.5 and < 3.0 should be running on the system
787* We currently use Python 2.7
788
789Package Dependencies
790--------------------
791* Ensure the required dependencies are installed
792* For the latest list of dependencies see the appropriate yml file in
793  the SasView repo at sasview/build_tools/conda/ymls
794
795Installing from Source
796----------------------
797* Get the source code
798* Create a folder to contain the source code; if working with
799  multiple versions you might want to use versioned folder names
800  like 'sasview-x.x.x'
801* Open a command line window in the source code folder
802* To get the CURRENT DEVELOPMENT VERSION from source control use
803  git clone https://github.com/SasView/sasview.git sasview
804  git clone https://github.com/Sasview/sasmodels.git sasmodels
805  git clone https://github.com/bumps/bumps.git bumps
806* To get a SPECIFIC RELEASE VERSION from source control go to
807  https://github.com/SasView/sasview/releases
808  and download the required zip or tar.gz file. Unzip/untar it
809  to the source code folder.
810
811Building and Installing
812-----------------------
813* To build the code
814  use 'python setup.py build'
815* To build the documentation
816  use'python setup.py docs'
817
818Running SasView
819---------------
820* use 'python run.py'; this runs from the source directories, so you
821  don't have to rebuild every time you make a change, unless you are
822  changing the C model files.
823* if using Conda the above command will also build SasView, but you
824  must issue 'activate sasview' first.
825
826
827Known Issues
828============
[2ae8579]829
830A full list of known bugs and feature requests by release version that
831users may wish to be aware of can be viewed at http://trac.sasview.org/report/3
[8ac05a5]832
[2ae8579]8334.2.0 - All systems
834-------------------
835The refactoring of the plugin model architecture means that some issues
836may be encountered if Save Project/Analysis files using plugin models
837created in earlier versions of SasView are loaded in version 4.2.0.
838
839For example:
840
841* on loading an old project file an error window appears with the error
842  *This model state has missing or outdated information* or *dictionary changed size during iteration*.
843
844   * if this occurs, try restarting SasView and reloading the project.
845   
846* on loading an old project file all the FitPages and Graphs appear, but
847  only the SasView default model parameters appear in the FitPages.
848
849  * this has happened because plugin model parameter names have changed.
850    There are two possible workarounds:
851   
852   * Install the version of SasView that the project was created in,
853     recreate the plugin in that version, then run 4.2.0 and re-load
854     the project. All being well, 4.2.0 will still compile the old
855     plugin.
856
857   * If 4.2.0 cannot compile the old plugin, the more tedious solution
858     is to use a text editor to do global search & replace operations
859     to change all the parameter names in the project file by hand. The
860     quickest way to see the *existing* parameter names is simply to
861     scroll to the bottom of the project file. To see what the *new* 
862     parameter names should be, simply create the equivalent plugin in
863     SasView 4.2.0. In most instances, what was *p1_parameter* will
864     become *A_parameter*, *p2_parameter* will become *B_parameter*,
865     and so on.
866
[8ac05a5]8674.1.x- All systems
868------------------
869The conversion to sasmodels infrastructure is ongoing and should be
870completed in the next release. In the meantime this leads to a few known
871issues:
872
873* The way that orientation is defined is being refactored to address
874  long standing issues and comments.  In release 4.1 however only models
875  with symmetry (e.g. a=b) have been converted to the new definitions.
876  The rest (a <> b <> c - e.g. parellelepiped) maintain the same
877  definition as before and will be converted in 4.2.  Note that
878  orientational distribution also makes much more sense in the new
879  framework.  The documentation should indicate which definition is being
880  used for a given model.
881* The infrastructure currently handles internal conversion of old style
882  models so that user created models in previous versions should continue
883  to work for now. At some point in the future such support will go away.
884  Everyone is encouraged to convert to the new structure which should be
885  relatively straight forward and provides a number of benefits.
886* In that vein, the distributed models and those generated by the new
887  plugin model editor are in the new format, however those generated by
888  sum|multiply models are the old style sum|multiply models. This should
889  also disappear in the near future
890* The on the fly discovery of plugin models and changes thereto behave
891  inconsistently.  If a change to a plugin model does not seem to
892  register, the Load Plugin Models (under fitting -> Plugin Model
893  Operations) can be used.  However, after calling Load Plugin Models, the
894  active plugin will no longer be loaded (even though the GUI looks like
895  it is) unless it is a sum|multiply model which works properly.  All
896  others will need to be recalled from the model dropdown menu to reload
897  the model into the calculation engine.  While it might be annoying it
898  does not appear to prevent SasView from working..
899* The model code and documentation review is ongoing. At this time the
900  core shell parellelepiped is known to have the C shell effectively fixed
901  at 0 (noted in documentation) while the triaxial ellipsoid does not seem
902  to reproduce the limit of the oblate or prolate ellipsoid. If errors are
903  found and corrected, corrected versions will be uploaded to the
904  marketplace.
[67ed543]905* (Added after Release 4.2.0) The scale parameter reported from the spinodal
906  model is the square root of the true value.
[8ac05a5]907
9083.1- All systems
909----------------
910* The documentation window may take a few seconds to load the first time
911  it is called. Also, an internet connection is required before
912  equations will render properly. Until then they will show in their
913  original TeX format.
914* If the documentation window remains stubbornly blank, try installing a
915  different browser and set that as your default browser. Issues have
916  been noted with Internet Explorer 11.
917* Check for Updates may fail (with the status bar message ' Cannot
918  connect to the application server') if your internet connection uses
919  a proxy server. Tested resolutions for this are described on the
920  website FAQ.
921* The copy and paste functions (^C, ^V) in the batch mode results grid
922  require two clicks: one to select the cell and a second to select the
923  contents of the cell.
924* The tutorial has not yet been updated and is somewhat out of date
925* Very old computers may struggle to run the 3.x and later releases
926* Polydispersity on multiple parameters included in a simultaneous/
927  constrained fit will likely not be correct
928* Constrained/simultaneous fit page does not have a stop button
929* Constrained/simultaneous fit do not accept min/max limits
930* Save project does not store the state of all the windows
931* Loading projects can be very slow
932* Save Project only works once a data set has been associated with
933  a model.  Error is reported on status bar.
934* There is a numerical precision problem with the multishell model when
935  the inner radius gets large enough (ticket #288)
936* The angular distribution angles are not clearly defined and may in
937  some cases lead to incorrect calculations(ticket #332)
938
9393.1 - Windows
940-------------
941* If installed to same directory as old version without first removing
942  the old version, the old desktop icon will remain but point to the
943  new exe version. Likewise all the start menu folders and items will
944  have the old name even though pointing to the new version.  Usually
945  safest to uninstall old version prior to installing new version anyway.
946
9473.1 - MAC
948---------
949* Application normally starts up hidden. Click icon in Dock to view/use
950  application.
951* Multiprocessing does not currently work on MAC OS
952
9533.1 - Linux
954-----------
955* Not well tested
956
957
958SasView Website
959===============
960http://www.sasview.org
961
962This main project site is the gateway to all information about the sasview
963project.  It includes information about the project, a FAQ page and links
964to all developer and user information, tools and resources.
965
966
967Frequently Asked Questions
968==========================
969http://www.sasview.org/faq.html
970
971
972Installer Download Website
973==========================
974Latest release Version
975https://github.com/SasView/sasview/releases
976
977Latest developer builds
978https://jenkins.esss.dk/sasview/view/Master-Builds/
Note: See TracBrowser for help on using the repository browser.