source: sasview/docs/sphinx-docs/source/user/RELEASE.rst @ 9849f8a

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Release Notes

Note

In Windows use [Alt]-[Cursor left] to return to the previous page

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.. toctree::
   :maxdepth: 1

Features

New in Version 4.2.0

This release heralds many improvements and a host of bug fixes, along with some significant changes from previous versions. Further, as promised, it marks the end of support for 32 bit operating systems and is only available for 64 bit operating systems.

With this version the change to the new model API and plugins infrastructure begun with 4.0 is essentially complete (though extensions are in the works, and more are likely, they should remain backwardly compatible with previous versions of SasView).

Warning

Old-style plugin models, including old sum|multiply models, continue to be supported (i.e. SasView will run them) in 4.x, although our automatic on-the-fly translation may not cope in all use cases (see Known Issues below). However, this backward compatibility will be removed in 5.0 and users are therefore strongly encouraged to convert their custom models to the new API.

Finally, the changes to orientation angles and orientational distribution definitions are now also complete.

Changes

  • The infrastucture for calculating 2D patterns from 3D orientated objects has been totally re-factored. It is now more accurate and consistent across models.
  • The way that SasView defines the orientation of anisometric and aligned objects has been completely overhauled. It now differs from previous versions.
  • Plugin models, including sum|multiply models, have completely migrated to the new infrastructure. NOTE that 3.x type models as well as early, intermediate 4.x type models, including those generated by sum|multiply will continue to be supported in 4.x but will likely no longer be supported after the move to 5.0. Users are strongly encouraged to migrate any custom models.
  • The NeXus loader has been removed as it is superseded by the NXcanSAS standard loader and SasView does not support the treatment of raw data.

Improvements

  • The accuracy/speed of some numerical integrations have been improved.
  • An orientation viewer tool has been introduced to assist in understanding the new orientation framework.
  • Problems with the computation of magnetic scattering from some objects have been rectified. Some questions remain however.
  • The known issue with the core_shell_parallelepiped model is now fixed.
  • An error in the be_polyelectrolyte model was identified and rectified, but the fix is yet to be validated.
  • A number of issues and inconsistencies with the creation of sum|multiply models have been rectified.
  • A Boltzmann distribution has been added for polydispersity/orientational distributions.
  • Some batch slicing options have been introduced.
  • Correlation function analysis now computes both the 1D and 3D functions.
  • There are several data loading improvements.
  • There are several improvements to Save/Load Project.
  • The SasView version number now appears in Reports.
  • The Release Notes are now available from the program Help menu.
  • There have been numerous other bug fixes.

Documentation

Several sections of the help documentation have undergone significant checking and updating, particularly those relating to orientation, magnetic scattering, and polydispersity distributions.

Detailed advanced instructions for plugin writing and some scripting instructions have also been added.

Concerns about the intended versus implemented meaning of some parameters in the bcc_paracrystal, fcc_paracrystal, and sc_paracrystal models have been brought to our attention. These have yet to be resolved and so a Warning has been placed on each of these models. Anyone who feels they may have the requisite expertise to investigate these concerns is strongly encouraged to contact the Developers!

Other Work

  • A Third-Party initiative has recently succeeded in getting SasView to run on Debian. More details at http://trac.sasview.org/wiki/DevNotes/Projects/Debian
  • With this release we have started to prepare for the inevitable move to Python 3, which will occur with the release of 5.0
  • SasView 5.0 is currently in development. The two most significant features of this version will be (i) a move away from the present WxPython GUIs to new, completely rewritten, Qt5 GUIs, and (ii)implementation of the Beta-approximation for S(Q). Subject to resources, some limited access to the latter functionality may be available in a future SasView 4.x release.

Bug Fixes

  • Fixes # 14: Loading a saved project is really really slow
  • Fixes # 260: Box integration does not update when entering values in dialog
  • Fixes # 446: Saving plot as PGF (not PDF!) format throws error
  • Fixes # 467: Extend batch functionality to slicer
  • Fixes # 489: ABS reader (NIST 1D) does not handle negative dx properly (USANS slit smearing)
  • Fixes # 499: create sin(x)/x, 2*J1(x)/x and 3*j1(x)/x functions
  • Fixes # 510: Build PDF documentation along with HTML
  • Fixes # 525: Add GUI category defaults to models in sasmodels
  • Fixes # 579: clean up sasview directory
  • Fixes # 597: Need to document Combine Batch Fit
  • Fixes # 645: GUI logic problem in Batch vs single fit mode
  • Fixes # 648: Need to allow user input background value in Pr perspective
  • Fixes # 685: Fix data upload to marketplace
  • Fixes # 695: linear slope in onion model
  • Fixes # 735: Review new Corfunc documentation
  • Fixes # 741: Recalculate P(Q) and S(Q) components on model update.
  • Fixes # 767: Sum/Product Models don't do what they should
  • Fixes # 776: angular dispersity
  • Fixes # 784: Add 3D integral to Correlation Function analysis
  • Fixes # 786: core_shell_parallelepiped 1-D model is incorrect
  • Fixes # 818: “report button” followed by “save” makes an empty pdf file???
  • Fixes # 830: Check compliance of loader against NXcanSAS-1.0 release
  • Fixes # 838: Fix model download from marketplace
  • Fixes # 848: can't save analysis when only one fit page
  • Fixes # 849: Load Folder should ignore files starting with .
  • Fixes # 852: More unit tests, especially for oriented or 2d models
  • Fixes # 854: remove unnecessary sleep() in fitting perspective
  • Fixes # 856: Reading SAS_OPENCL from custom_config sometimes raises an ERROR
  • Fixes # 861: cannot defined a structure factor plugin
  • Fixes # 864: New Model Editor (simple plugin editor) error parsing parameter line
  • Fixes # 865: Plugin live discovery issues
  • Fixes # 866: inform user when NaN is returned from compute
  • Fixes # 869: fit page computation thread cleanup
  • Fixes # 875: Possible weirdness with 1D NXcanSAS data
  • Fixes # 876: Add check for HDF5 format in dataloader
  • Fixes # 887: reorganize tree, separating the installed source from the build source
  • Fixes # 889: Refactor dataloader error handling infrastructure
  • Fixes # 890: use new orientation definition for asymmetric shapes
  • Fixes # 891: update docs for oriented shapes with new orientation definition
  • Fixes # 896: equations in core shell parallelepiped docs do not match code
  • Fixes # 898: Image Viewer Tool file selector issue
  • Fixes # 899: Igor Reader q calculation
  • Fixes # 902: IgorReader Q calculation needs fixing/improving
  • Fixes # 903: sasview - all non-gui tests should be converted to run in Python 3
  • Fixes # 906: polydispersity not showing up in tabulated results
  • Fixes # 912: About box points to misleading contributors page on Github
  • Fixes # 913: Need to add Diamond developer and logo in relevant places
  • Fixes # 915: load project issues
  • Fixes # 916: Proper Logging
  • Fixes # 920: Logarithmic binning option in the slice viewer
  • Fixes # 921: Improve developer communication methods
  • Fixes # 922: Remove support for all data formats that are not in q space
  • Fixes # 923: Add CI and trac integrations to Slack
  • Fixes # 930: fitting help says chisq is normalized to number of points
  • Fixes # 931: Allow admins to edit all models and upload data etc on marketplace
  • Fixes # 932: Need to fix upload of data files to marketplace
  • Fixes # 934: Slurp tutorial repo for tutorials
  • Fixes # 935: Build new tutorials as PDF
  • Fixes # 943: Deep copy error on setting model after data is selected
  • Fixes # 950: Most of the readers don't close files properly.
  • Fixes # 954: cross check dll/opencl/python polydispersity and orientation results
  • Fixes # 956: Possible problem with new doc build process
  • Fixes # 961: sasmodels tests should fail if the parameter name does not exist
  • Fixes # 962: star polymer typo in docs
  • Fixes # 966: Inconsistent chi2 reporting
  • Fixes # 967: no uncertainties errors on fitting parameters
  • Fixes # 969: About Box not picking up dls_logo.png
  • Fixes # 970: ASCII loader doesn't handle ISIS 2D ASCII
  • Fixes # 974: blacklist Intel HD 620/630 for double precision
  • Fixes # 978: load project fails for pages which have not been defined
  • Fixes # 983: Remove Nexus Loader
  • Fixes # 984: PDF reports are not being properly generated on Windows
  • Fixes # 985: Saving Project Fails
  • Fixes # 986: Send to fitting overwrites theory page even if blank FitPage has focus
  • Fixes # 990: utest_sasview.py giving different results than run_one.py
  • Fixes # 993: Windows x64 versions not installing to correct folder
  • Fixes # 994: Error changing fit engine
  • Fixes # 995: OpenCL required on Linux even if turned off in GUI
  • Fixes #1006: multiplicity models don't work with SQ
  • Fixes #1007: spherical_sld model freezes SasView
  • Fixes #1008: plugin model scaling not working?
  • Fixes #1010: Win64 build script not creating working executable
  • Fixes #1011: sld_test failing on ubuntu
  • Fixes #1012: ESS GUI not updating after fitting
  • Fixes #1013: FileReaderBaseClass output[] not reset - same file loaded multiple times
  • Fixes #1018: add Boltzmann distribution
  • Fixes #1021: add PDF documentation to website and document in wiki release process
  • Fixes #1024: Update version numbers in master
  • Fixes #1025: Sum/multiply editor hangs
  • Fixes #1030: volume normalization for hollow shapes is different from solvent-filled shapes
  • Fixes #1032: convert C++ modules to C
  • Fixes #1035: Order of combining P(Q) and S(Q) in Plugins seems to matter
  • Fixes #1037: data loader crop not working? & all fits crashing
  • Fixes #1043: problem compiling marketplace models
  • Fixes #1044: Unable to upload c file to marketplace
  • Fixes #1046: convert non builtin models in the marketplace to new API
  • Fixes #1050: fix appveyor test for sasmodels win 64 python 3
  • Fixes #1052: Can't use a user-created plugin model in a plugin model
  • Fixes #1054: Check plugin & orientation descriptions in full docs once SasModels PR #57 is merged
  • Fixes #1057: phi rotation issue for elliptical cylinder
  • Fixes #1060: incorrect default for rectangle dispersion
  • Fixes #1062: win32 build not installing correctly
  • Fixes #1064: "Fitting did not converge!!!" error with a Sum|Multi plugin model
  • Fixes #1068: 2d data (from NG7) not loadiing - strange format?
  • Fixes #1069: GUI problem when using polydispersity/orientation distributions
  • Fixes #1070: Parameter error boxes should not be editable
  • Fixes #1072: Orientation distributions seem to depend on initial angle
  • Fixes #1079: Remove save button in report dialog on Mac
  • Fixes #1081: GUI problem with new orientation distribution
  • Fixes #1083: Magnetic models not being computed
  • Fixes #1099: Erratic behaviour of Sum|Multi model in 4.1.2
  • Fixes #1101: Batch results page not displaying polydispersity values
  • Fixes #1128: AutoPlot generation for model documentation does not include background
  • Fixes #1131: OpencCl dialog does not open
  • Fixes #1132: Slit Size Calculator Tool not working
  • Fixes #1139: Missing Docs and Help for new Batch Slicing
  • Fixes #1141: Intro to scripting.rst needs improvement
  • Fixes #1142: Plugin framework is broken
  • Fixes #1145: Update models in model marketplace to 4.2 when 4.2 is released.
  • Fixes #1155: BE Polyelectrolyte errors
  • Fixes #1160: fix VR for core_shell_cylinder, fractal_core_shell and hollow_cylinder
  • Fixes #1163: Fix help note in sum of sum|multiply interface
  • Fixes #1164: Sphinx doc build does not support superscript or substitution
  • Fixes #1166: No longer able to report from multiple fit pages
  • Fixes #1167: Clarify the documentation for the Spinodal Model
  • Fixes #1173: more problems with math in plugins
  • Fixes #1176: Make Release Notes/Known Issues available from Help in Menu Bar
  • Fixes #1179: PDF Report should contain SasView Version Number
  • Fixes #1183: Test from creating new model reset all parameters to default in all open FitPages

It is recommended that all users upgrade to this version, but your attention is drawn to the Changes section above.

New in Version 4.2.0-Beta

This is a beta pre-release version of 4.2.0. A number of fixes and changes have been made in the year since the previous release. Full release notes will be compiled prior to the full release 4.2.0.

Highlights are:

  • Infrastucture for calculating 2D patterns from 3D orientated objects has now been totally refactored
  • Plugins have completely migrated to the new infrastructure now, including sum/multiply models
  • Some batch slicing options have been introduced
  • The known issue with the core_shell_parallelepiped is now fixed
  • Several data loading improvements
  • Several save Project improvements (though there are more to come)
  • Numerous bug fixes
  • Lots of documentation enhancement

In the meantime please report any bugs or issues found while using this beta

New in Version 4.1.2

This point release is a bug-fix release addressing:

  • Fixes #984: PDF Reports Generate Empty PDFs
  • Fixes a path typo
  • 64 bit and 32 bit Windows executables now available

It is recommended that all users upgrade to this version

New in Version 4.1.1

This point release is a bug-fix release addressing:

  • Fixes #948: Mathjax CDN is going away
  • Fixes #938: Cannot read canSAS1D file output by SasView
  • Fixes #960: Save project throws error if empty fit page
  • Fixes #929: Problem deleting data in first fit page
  • Fixes #918: Test folders not bundled with release
  • Fixes an issue with the live discovery of plugin models
  • Fixes an issue with the NXcanSAS data loader
  • Updated tutorials for SasView 4.x.y

New in Version 4.1.0

This incremental release brings a series of new features and improvements, and a host of bug fixes. Of particular note are:

Correlation Function Analysis (Corfunc)

This performs a correlation function analysis of one-dimensional SAXS/SANS data, or generates a model-independent volume fraction profile from the SANS from an adsorbed polymer/surfactant layer.

A correlation function may be interpreted in terms of an imaginary rod moving through the structure of the material. G1(R) is the probability that a rod of length R moving through the material has equal electron/neutron scattering length density at either end. Hence a frequently occurring spacing within a structure manifests itself as a peak.

A volume fraction profile Phi(z) describes how the density of polymer segments/surfactant molecules varies with distance from an (assumed locally flat) interface. This is not yet implemented.

Fitting of SESANS Data

Data from Spin-Echo SANS measurements can now be loaded and fitted. The data will be plotted against the correct axes and models will automatically perform a Hankel transform in order to calculate SESANS from a SANS model.

Documentation

The documentation has undergone significant checking and updating.

Improvements

  • Correlation function (corfunc) analysis of 1D SAS data added from CCP13
  • File converter tool for multi-file single column data sets
  • SESANS data loading and direct fitting using the Hankel transformation
  • Saving and loading of simultaneous and constrained fits now supported
  • Save states from SasView v3.x.y now loaded using sasmodel model names
  • Saving and loading of projects with 2D fits now supported
  • Loading a project removes all existing data, fits, and plots
  • Structure factor and form factor can be plotted independently
  • OpenCL is disabled by default and can be enabled through a fit menu
  • Data and theory fields are now independently expandable

Bug Fixes

  • Fixes #667: Models computed multiple times on parameters changes
  • Fixes #673: Custom models override built in models of same name
  • Fixes #678: Hard crash when running complex models on GPU
  • Fixes $774: Old style plugin models unloadable
  • Fixes #789: stacked disk scale doesn't match cylinder model
  • Fixes #792: core_shell_fractal uses wrong effective radius
  • Fixes #800: Plot range reset on plot redraws
  • Fixes #811 and #825: 2D smearing broken
  • Fixes #815: Integer model parameter handling
  • Fixes #824: Cannot apply sector averaging when no detector data present
  • Fixes #830: Cansas HDF5 reader fully compliant with NXCanSAS v1.0 format
  • Fixes #835: Fractal model breaks with negative Q values
  • Fixes #843: Multilayer vesicle does not define effective radius
  • Fixes #858: Hayter MSA S(Q) returns errors
  • Numerous grammatical and contexual errors in documention

New in Version 4.0.1

This release fixes the critical bug #750 in P(Q)xS(Q). Most damaging it appears that the background term was being added to S(Q) prior to multiplication by P(Q).

New in Version 4.0

This release fixes the various bugs found during the alpha and beta testing

Improvements

  • Support for reading data files from Anton Paar Saxess instruments
  • Adds documentation on how to write custom models in the new framework

Bug Fixes

  • Fixes #604: Pringle model questions
  • Fixes #472: Reparameterize Teubner-Strey
  • Fixes #530: Numerical instabilities in Teubner Strey model
  • Fixes #658: ASCII reader very broken

New in Version 4.0 beta 1

This beta adds support for the magnetic and multilevel models of 3.1.2 and along with a host of bug fixes found in the alpha.

Model package changes and improvements

  • All 3.1.2 models now available in new interface
  • Old custom models should now still work
  • Custom model editor now creates new style models
  • Custom model editor supports better error checking

Note

Old custom models should be converted to the new model format which is now the same as the built-in models and offers much better support. The old custom model format will be deprecated in a future version.

Documentation improvements

  • Continued general cleanup

Other improvements/additions

  • Support for new canSAS 2D data files added
  • Plot axes range can now be set manually as well as by zooming
  • Plot annotations can now be moved around after being placed on plot.
  • The active optimizer is now listed on the top of the fit panel.
  • Linear fits now update qmin and max when the x scale limits are changed. Also the plot range no longer resets after a fit.

Bug fixes

  • Fixes #511: Errors in linearized fits and clean up of interface including Kratky representation
  • Fixes #186: Data operation Tool now executes when something is entered in the text box and does not wait for the user to hit enter
  • Fixes #459: plot context menu bug
  • Fixes #559: copy to clipboard in graph menu broken
  • Fixes #466: cannot remove a linear fit from graph
  • Numerous bugs introduced in the alpha

New in Version 4.0.0-alpha

This alpha release brings a major overhaul of the model system. The new model package allows rapid integration of custom models and access to polydispersity without requiring a compiler.

Model package changes and improvements

  • Separation of GUI and calculations for future GUI enhancements
  • Model interface moved to independent sasmodels package.
  • Most models converted to new interface.
  • Allows rapid integration of user-written models.
  • OpenCL GPU utilization for faster fitting.
  • Improved numerical integration of Bessel functions.

SESANS integration and implementation

  • Scripting interface added for analysis of SESANS data.
  • Hankel transformation now accepts finite acceptance angles.
  • 2D cosine transformation added for TOF SESANS analysis.

Documentation improvements

  • The documentation tree was restructured for a better end user experience.
  • The documentation for each model was revamped and verified by at least two people following the conversion of the model.
  • Theoretical 1D (and 2D if applicable) scattering curves are auto-generated and added to the model documentation for each model.

Bug fixes

  • Fixes #411: No stop button on simultaneous fit page
  • Fixes #410: Error with raspberry model
  • Fixes #364: Possible inconsistency in Poly_GausCoil model
  • Fixes #439: Hayter Penfold MSA code needs checking
  • Fixes #484: lammellerPC is precision limited
  • Fixes #498: $HOME/.matplotlib conflicts
  • Fixes #348: Control order in which fit parameters appear in the gui
  • Fixes #456: Provide DREAM Results Panel with something to identify data and age of results
  • Fixes #556: Build script improvements for developers

New in Version 3.1.2

This release is a major stability improvement, having fixed a serious bug that came to light since release 3.1.1. All users should upgrade.

  • Fixes #468: broken remove constraint buttons in simultaneous/constrained fitting panel
  • Fixes #474: resulting from changes in 3.1.1 that had introduced an error in the high-Q of slit-smeared models.
  • Fixes #478: which would cause wx to run out of IDs and result in SasView crashing even if left alone.
  • Fixes #479: missing help button on simultaneous/constrained fit page
  • Fixes #480: GUI resizing issues on simultaneous fit page
  • Fixes #486: broken Report Results
  • Fixes #488: redraw issues in fit page

New in Version 3.1.1

Fixes #457 that prevented SasView from starting if the user was not connected to the internet, or was behind a proxy server.

New in Version 3.1.0

The documentation/help has had a complete overhaul including:

  • A completely new presentation interface (Sphinx).
  • Proof reading!
  • Updating for latest features.
  • A Help (or sometimes ?) button has been added to every panel, and some sub panels if appropriate, linking to the appropriate section in the documentation.
  • The model help has been split so that the Details button now brings up a very short pop-up giving the equation being used while HELP goes to the section in the full documentation describing the model.
  • Extensive help has also been added for the new optimizer engine (see below) including rules of thumb on how and when to choose a given optimizer and what the parameters do.

The optimizer engine has been completely replaced. The new optimizer still defaults to the standard Levenberg-Marquardt algorithm. However 4 other optimizers are now also available. Each starts with a set of default parameters which can be tuned. The DREAM optimizer takes the longest but is the most powerful and yields rich information including full parameter correlation and uncertainty plots. A results panel has been added to accommodate this. The five new optimizers are:

  • A Levenberg-Marquardt optimizer
  • A Quasi-Newton BFGS optimizer
  • A Nelder-Mead Simplex optimizer
  • A Differential Evolution optimizer
  • A Monte Carlo optimizer (DREAM)

New models were added:

  • MicelleSphCoreModel (currently residing in the Uncategorized category)

Existing models were updated:

  • LamellarPS (bug in polydispersity integration fixed)
  • RectangularPrismModel
  • RectangularHollowPrismModel
  • RectangularHollowPrismInfThinWallsModel

Other work:

  • Infrastructure to allow SESANS data to be fit with models was added. This will become available in a future release but can currently be used from the command line with some caveats.
  • A number of bugs were fixed including a thread crashing issue and an incorrect slit smearing resolution calculation.
  • Implemented much more robust error logging to enable much easier debugging in general but particularly the debugging of issues reported by SasView users.
  • A number of infrastructure tasks under the hood to enhance maintainability
  • Upgrade from Wx 2.8 to Wx 3.0.2 which allows several new features but required significant additional rework as well.
  • Fully implemented Sphinx to the build process to produce both better user documentation and developer documentation.
  • Restructuring of the code base to more unified nomenclature and structure so that the source installation tree more closely matches the installer version tree.
  • Code cleanup (an ongoing task).
  • Migration of the repository to github simplifying contributions from non-project personnel through pull requests.

New in Version 3.0.0

  • The GUI look and feel has been refactored to be more familiar for Windows users by using MDI frames. Graph windows are also now free- floating.
  • Five new models have been added: PringlesModel, CoreShellEllipsoidXTModel, RectangularPrismModel, RectangularHollowPrismModel and RectangularHollowPrismInfThinWallsModel.
  • The data loader now supports ILL DAT data files and reads the full meta information from canSAS file formats.
  • Redefined convention for specifying angular parameters for anisotropic models.
  • A number of minor features have been added such as permitting a log distribution of points when using a model to simulate data, and the addition of a Kratky plot option to the linear plots.
  • A number of bugs have also been fixed.
  • Save Project and Save Analysis now work more reliably.
  • BETA: Magnetic contrast supporting full polarization analysis has been implemented for some spherical and cylindrical models.
  • BETA: Two new tools have been added:
    • A generic scattering calculator which takes an atomic, magnetic or SLD distribution in space and generates the appropriate 2D scattering pattern. In some cases the orientationally averaged (powder) 1D scattering can also be computed. Supported formats include: SLD or text, PDB, and OMF magnetic moment distribution file.
    • An image viewer/converter for data in image format; this reads in an image file and will attempt to convert the image pixels to data. Supported formats include: TIFF, TIF, PNG, BMP, JPG.

New in Version 2.2.1

  • Minor patch to support CanSAS XML v1.1 file format
  • Added DataInfo for data in the DataExplorer and plots
  • Added Maximize/Restore button in the title bar of the graphs
  • Added a hide button in the toolbar of the graph panel
  • The 'x' button now deletes a graph
  • Edit SUM Model from the menubar can now generate and save more than one sum model
  • Reports can now be saved in pdf format on WIN and MAC
  • Made significant improvements to the batch/grid panel and fixed several bugs
  • Fixed a number of other minor bugs

New in Version 2.2.0

  • Application name changed to SasView
  • New fully customizable Category Manager added for better management of increasing number of models
  • Improved the Grid Window functionality in the batch fitting mode
  • Added a simpler Graph/Plot modification interface
  • Added a new 'Data Operation' tool for addition, subtraction, multiplication, division, of two data sets.
  • The 'Sum Model' editor was extended and renamed 'Summation and Multiplication' editor
  • Added more plot symbols options for 1d plots
  • Added improved trapping of compiling errors to the 'New model editor'
  • Added some intelligent outputs (e.g., Rg, background, or rod diameter depending on the choice of axis scale of the plot) to the linear fits
  • Added more models

Feature set from previous versions

Perspectives Available

  • Invariant calculator: Calculates the invariant, volume fraction, and specific surface area.
  • P(r) inversion calculator: Indirect Fourier transformation method.
  • Fitting: the tool used for modeling and fitting 1D and 2D data to analytical model functions
  • Tools: provides a number of useful supplementary tools such as SLD calculation

Fitting

  • Includes a large number of model functions, both form factors and structure factors.
  • Support P(Q)*S(Q) for form factors that flag they can be so multiplied.
  • Supports Gaussian, lognormal, Shulz, rectangular and custom distribution functions for models that need to include polydispersity or for orientational distributions if appropriate.
  • Anisotropic shapes and magnetic moment modeling in 2D allow for a non-uniform distribution of orientations of a given axis leading to modeling and fitting capabilities of non azimuthaly symmetric data.
  • User can choose to weight fits or not. If using weights, the user can choose the error bar on each point if provided in the file, the square root of the intensity or the intensity itself.
  • Instrumental resolution smearing of model or fits is provided with several options: read the resolution/point fromt he file. Input a pinhole resolution or a slit resolution.
  • Users can define the Qrange (Qmin and Qmax) for both 1D and 2D data for fitting and modeling, but not graphically. The range can be reset to the defaults (limits of q in data set for a fit) with the reset button.
  • A mask can be applied to 2D calculation and fitting.
  • Normalized residual plots are provided with every fit.
  • Model function help available through detail button or from the fitting panel.
  • Simultaneous/(advanced)constrained fitting allows for fitting a single data set or several different sets simultaneously with the application of advanced constraints relating fit parameters to functions of other parameters (including from a different set). For example thickness of shell = sin(30) times the length.
  • Models that are the sum of two other models can be easily generated through the SUM Model menubar item.
  • New Python models can be added on the fly by creating an appropriate Python file in the model plugin directory. Two tools are provided to help: An easy to use custom model editor allows the quick generation of new Python models by supplying only the parameters and their default value (box 1) and the mathematical function of the model (box 2) and generating the necessary .py file. A separate advanced model editor provides a full Python file editor. Either way once saved the model becomes immediately available to the application.
  • A batch fitting capability allows for the analysis of a series of data sets to a single model and provides the results in a tabular form suitable for saving or plotting the evolution of the fit parameters with error bars (from within the application).

Tools

  • A scattering length density calculator,including some X-ray information is provided.
  • A density to vol. fraction converter is provided
  • In application access to a Python shell/editor (PyCrust) is provided
  • An instrument resolution calculator, including possible gravitational and TOF effects is provided
  • A slit size calculator optimized for Anton Paar Saxess is provided.
  • A kiessig fringe thickness calculator is provided

Plots and plot management

  • A 3D graphing option (for 2d data/results) is provided with the view controlled by the mouse
  • 2D plots are shown with an intensity color bar. 2D Color map can be user adjusted.
  • Supports output of plot to a variety of graphic formats. Supported formats include: png, eps, emf, jpg/jpeg, pdf, ps, tif/tiff, rawRGBbitmap(raw, rgba), and scalable vector graphic (svg/svgz)
  • Supports ouput of data in plot (1 or 2D) to limited data formats
  • Multiple data sets can be loaded into a single graph for viewing (but a fit plot can currently only have a single plot).
  • Extensive context sensitive plot/fitting/manipulation options are available through a right mouse click pop-up menu on plots.

Data management

  • Supports 2 + column 1D ASCII data, NIST 1D and 2D data, and canSAS data via plug-in mechanism which can easily allow other readers as appropriate.
  • 2D data is expected in Q space but for historical reasons accepts the NIST 2D raw pixel format and will do conversion internally.
  • The full data and metadata available to SasView is viewable in ASCII via right clicking on a data set and choosing Data Info in the DataExplorer or on the plots
  • Supports loading a single file, multiple files, or a whole folder
  • An optional Data Explorer is provided (default) which simplifies managing, plotting, deleting, or setup for computation. Most functions however do not require access to the explorer/manager and can be accessed through right click menus and the toolbar. The data explorer can be re-started from the menu bar.

Data manipulation

  • Support various 2D averaging methods : Circular, sectors, annular, boxsum, boxQx and boxQy.
  • A 2D data maks editor is provided
  • 2D mask can be applied to the circular averaging.

Miscellaneous features

  • Limited reports can be generated in pdf format
  • Provides multiprocessor support(Windows only)
  • Limited startup customization currently includes default startup data folder and choice of default starting with data manager
  • Limited support for saving(opening) a SasView project or a SasView analysis (subproject) is provided.
  • SasView can be launched and loaded with a file of interesty by double-clicking on that file (recognized extension)
  • A data file or data folder can be passed to SasView when launched from the command line.
  • Limited bookmarking capability to later recall the results of a fit calculation is provided.
  • Extensive help is provided through context sensitive mouse roll-over, information bar (at the bottom of the panel), the console menu, and access to the help files in several different ways.

Downloading and Installing

Note

If you have a SasView installer (.EXE or .MSI), you do not need to worry about any of the following. However, it is highly recommended that any previous versions of SasView are uninstalled prior to installing the new version UNLESS you are installing SasView to versioned folders.

Note

The easiest approach to setting up the proper environment to build from source is to use Conda. Instructions for setting up and using Conda can be found at http://trac.sasview.org/wiki/DevNotes/CondaDevSetup

Note

Much more information is available at www.sasview.org under links/downloads. In particular, look in the 'For Developers' section. Also have a look at http://trac.sasview.org/

System Requirements

  • Python version >= 2.5 and < 3.0 should be running on the system
  • We currently use Python 2.7

Package Dependencies

  • Ensure the required dependencies are installed
  • For the latest list of dependencies see the appropriate yml file in the SasView repo at sasview/build_tools/conda/ymls

Installing from Source

Building and Installing

  • To build the code use 'python setup.py build'
  • To build the documentation use'python setup.py docs'

Running SasView

  • use 'python run.py'; this runs from the source directories, so you don't have to rebuild every time you make a change, unless you are changing the C model files.
  • if using Conda the above command will also build SasView, but you must issue 'activate sasview' first.

Known Issues

A full list of known bugs and feature requests by release version that users may wish to be aware of can be viewed at http://trac.sasview.org/report/3

4.2.0 - All systems

The refactoring of the plugin model architecture means that some issues may be encountered if Save Project/Analysis files using plugin models created in earlier versions of SasView are loaded in version 4.2.0.

For example:

  • on loading an old project file an error window appears with the error This model state has missing or outdated information or dictionary changed size during iteration.

    • if this occurs, try restarting SasView and reloading the project.
  • on loading an old project file all the FitPages and Graphs appear, but only the SasView default model parameters appear in the FitPages.

    • this has happened because plugin model parameter names have changed. There are two possible workarounds:
    • Install the version of SasView that the project was created in, recreate the plugin in that version, then run 4.2.0 and re-load the project. All being well, 4.2.0 will still compile the old plugin.
    • If 4.2.0 cannot compile the old plugin, the more tedious solution is to use a text editor to do global search & replace operations to change all the parameter names in the project file by hand. The quickest way to see the existing parameter names is simply to scroll to the bottom of the project file. To see what the new parameter names should be, simply create the equivalent plugin in SasView 4.2.0. In most instances, what was p1_parameter will become A_parameter, p2_parameter will become B_parameter, and so on.

4.1.x- All systems

The conversion to sasmodels infrastructure is ongoing and should be completed in the next release. In the meantime this leads to a few known issues:

  • The way that orientation is defined is being refactored to address long standing issues and comments. In release 4.1 however only models with symmetry (e.g. a=b) have been converted to the new definitions. The rest (a <> b <> c - e.g. parellelepiped) maintain the same definition as before and will be converted in 4.2. Note that orientational distribution also makes much more sense in the new framework. The documentation should indicate which definition is being used for a given model.
  • The infrastructure currently handles internal conversion of old style models so that user created models in previous versions should continue to work for now. At some point in the future such support will go away. Everyone is encouraged to convert to the new structure which should be relatively straight forward and provides a number of benefits.
  • In that vein, the distributed models and those generated by the new plugin model editor are in the new format, however those generated by sum|multiply models are the old style sum|multiply models. This should also disappear in the near future
  • The on the fly discovery of plugin models and changes thereto behave inconsistently. If a change to a plugin model does not seem to register, the Load Plugin Models (under fitting -> Plugin Model Operations) can be used. However, after calling Load Plugin Models, the active plugin will no longer be loaded (even though the GUI looks like it is) unless it is a sum|multiply model which works properly. All others will need to be recalled from the model dropdown menu to reload the model into the calculation engine. While it might be annoying it does not appear to prevent SasView from working..
  • The model code and documentation review is ongoing. At this time the core shell parellelepiped is known to have the C shell effectively fixed at 0 (noted in documentation) while the triaxial ellipsoid does not seem to reproduce the limit of the oblate or prolate ellipsoid. If errors are found and corrected, corrected versions will be uploaded to the marketplace.

3.1- All systems

  • The documentation window may take a few seconds to load the first time it is called. Also, an internet connection is required before equations will render properly. Until then they will show in their original TeX format.
  • If the documentation window remains stubbornly blank, try installing a different browser and set that as your default browser. Issues have been noted with Internet Explorer 11.
  • Check for Updates may fail (with the status bar message ' Cannot connect to the application server') if your internet connection uses a proxy server. Tested resolutions for this are described on the website FAQ.
  • The copy and paste functions (^C, ^V) in the batch mode results grid require two clicks: one to select the cell and a second to select the contents of the cell.
  • The tutorial has not yet been updated and is somewhat out of date
  • Very old computers may struggle to run the 3.x and later releases
  • Polydispersity on multiple parameters included in a simultaneous/ constrained fit will likely not be correct
  • Constrained/simultaneous fit page does not have a stop button
  • Constrained/simultaneous fit do not accept min/max limits
  • Save project does not store the state of all the windows
  • Loading projects can be very slow
  • Save Project only works once a data set has been associated with a model. Error is reported on status bar.
  • There is a numerical precision problem with the multishell model when the inner radius gets large enough (ticket #288)
  • The angular distribution angles are not clearly defined and may in some cases lead to incorrect calculations(ticket #332)

3.1 - Windows

  • If installed to same directory as old version without first removing the old version, the old desktop icon will remain but point to the new exe version. Likewise all the start menu folders and items will have the old name even though pointing to the new version. Usually safest to uninstall old version prior to installing new version anyway.

3.1 - MAC

  • Application normally starts up hidden. Click icon in Dock to view/use application.
  • Multiprocessing does not currently work on MAC OS

3.1 - Linux

  • Not well tested

SasView Website

http://www.sasview.org

This main project site is the gateway to all information about the sasview project. It includes information about the project, a FAQ page and links to all developer and user information, tools and resources.

Frequently Asked Questions

http://www.sasview.org/faq.html

Installer Download Website

Latest release Version https://github.com/SasView/sasview/releases

Latest developer builds https://jenkins.esss.dk/sasview/view/Master-Builds/

Note: See TracBrowser for help on using the repository browser.