[5911718] | 1 | Release Notes |
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| 2 | ============= |
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| 3 | |
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| 4 | 1- Features |
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| 5 | =========== |
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| 6 | |
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| 7 | - New in Version 3.1.0 |
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| 8 | -------------------- |
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| 9 | - The documentation/help has had a complete overhaul including: |
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| 10 | - A completely new presentation interface (Sphinx). |
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| 11 | - Proof reading! |
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| 12 | - Updating for latest features. |
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| 13 | - A Help (or sometimes ?) button has been added to every panel, and some |
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| 14 | sub panels if appropriate, linking to the appropriate section in the |
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| 15 | documentation. |
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| 16 | - The model help has been split so that the Details button now brings up |
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| 17 | a very short pop-up giving the equation being used while HELP goes to |
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| 18 | the section in the full documentation describing the model. |
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| 19 | - Extensive help has also been added for the new optimizer engine (see |
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| 20 | below) including rules of thumb on how and when to choose a given |
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| 21 | optimizer and what the parameters do. |
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| 22 | - The optimizer engine has been completely replaced. The new optimizer |
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| 23 | still defaults to the standard Levenberg-Marquardt algorithm. However 4 |
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| 24 | other optimizers are now also available. Each starts with a set of default |
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| 25 | parameters which can be tuned. The DREAM optimizer takes the longest but |
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| 26 | is the most powerful and yields rich information including full parameter |
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| 27 | correlation and uncertainty plots. A results panel has been added to |
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| 28 | accommodate this. |
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| 29 | - The five new optimizers are: |
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| 30 | - A Levenberg-Marquardt optimizer |
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| 31 | - A Quasi-Newton BFGS optimizer |
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| 32 | - A Nelder-Mead Simplex optimizer |
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| 33 | - A Differential Evolution optimizer |
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| 34 | - A Monte Carlo optimizer (DREAM) |
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[d47b9ce] | 35 | - New models were added: |
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| 36 | - MicelleSphCoreModel (currently residing in the Uncategorized category) |
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| 37 | - Existing models were updated: |
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[8bea1519] | 38 | - LamellarPS (bug in polydispersity integration fixed) |
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[d47b9ce] | 39 | - RectangularPrismModel |
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| 40 | - RectangularHollowPrismModel |
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| 41 | - RectangularHollowPrismInfThinWallsModel |
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[5911718] | 42 | - Infrastructure to allow SESANS data to be fit with models was added. This |
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| 43 | will become available in a future release but can currently be used from |
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| 44 | the command line with some caveats. |
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| 45 | - A number of bugs were fixed including a thread crashing issue and an |
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| 46 | incorrect slit smearing resolution calculation. |
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| 47 | - Implemented much more robust error logging to enable much easier |
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| 48 | debugging in general but particularly the debugging of issues reported by |
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| 49 | SasView users. |
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| 50 | - A number of infrastructure tasks under the hood to enhance maintainability |
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| 51 | - Upgrade from Wx 2.8 to Wx 3.0.2 which allows several new features but |
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| 52 | required significant additional rework as well. |
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| 53 | - Fully implemented Sphinx to the build process to produce both better |
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| 54 | user documentation and developer documentation. |
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| 55 | - Restructuring of the code base to more unified nomenclature and structure |
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| 56 | so that the source installation tree more closely matches the installer |
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| 57 | version tree. |
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| 58 | - Code cleanup (an ongoing task) . |
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| 59 | - Migration of the repository to github simplifying contributions from |
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| 60 | non-project personnel through pull requests. |
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| 61 | |
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| 62 | - New in Version 3.0.0 |
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| 63 | -------------------- |
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| 64 | - The GUI look and feel has been refactored to be more familiar for |
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| 65 | Windows users by using MDI frames. Graph windows are also now free- |
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| 66 | floating. |
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| 67 | - Five new models have been added: PringlesModel, CoreShellEllipsoidXTModel, |
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| 68 | RectangularPrismModel, RectangularHollowPrismModel and |
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| 69 | RectangularHollowPrismInfThinWallsModel. |
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| 70 | - The data loader now supports ILL DAT data files and reads the full meta |
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| 71 | information from canSAS file formats. |
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| 72 | - Redefined convention for specifying angular parameters for anisotropic |
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| 73 | models. |
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| 74 | - A number of minor features have been added such as permitting a log |
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| 75 | distribution of points when using a model to simulate data, and the |
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| 76 | addition of a Kratky plot option to the linear plots. |
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| 77 | - A number of bugs have also been fixed. |
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| 78 | - Save Project and Save Analysis now work more reliably. |
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| 79 | - BETA: Magnetic contrast supporting full polarization analysis has been |
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| 80 | implemented for some spherical and cylindrical models. |
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| 81 | - BETA: Two new tools have been added: |
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| 82 | - A generic scattering calculator which takes an atomic, magnetic or |
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| 83 | SLD distribution in space and generates the appropriate 2D |
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| 84 | scattering pattern. In some cases the orientationally averaged |
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| 85 | (powder) 1D scattering can also be computed. Supported formats |
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| 86 | include: SLD or text, PDB, and OMF magnetic moment distribution |
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| 87 | file. |
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| 88 | - An image viewer/converter for data in image format; this reads in |
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| 89 | an image file and will attempt to convert the image pixels to |
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| 90 | data. Supported formats include: TIFF, TIF, PNG, BMP, JPG. |
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| 91 | |
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| 92 | - New in Version 2.2.1 |
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| 93 | -------------------- |
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| 94 | - Minor patch to support CanSAS XML v1.1 file format |
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| 95 | - Added DataInfo for data in the DataExplorer and plots |
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| 96 | - Added Maximize/Restore button in the title bar of the graphs |
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| 97 | - Added a hide button in the toolbar of the graph panel |
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| 98 | - The 'x' button now deletes a graph |
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| 99 | - Edit SUM Model from the menubar can now generate and save more than one sum model |
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| 100 | - Reports can now be saved in pdf format on WIN and MAC |
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| 101 | - Made significant improvements to the batch/grid panel and fixed several bugs |
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| 102 | - Fixed a number of other minor bugs |
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| 103 | |
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| 104 | - New in Version 2.2.0 |
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| 105 | -------------------- |
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| 106 | - Application name changed to SasView |
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| 107 | - New fully customizable Category Manager added for better management of |
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| 108 | increasing number of models |
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| 109 | - Improved the Grid Window functionality in the batch fitting mode |
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| 110 | - Added a simpler Graph/Plot modification interface |
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| 111 | - Added a new 'Data Operation' tool for addition, subtraction, multiplication, |
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| 112 | division, of two data sets. |
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| 113 | - The 'Sum Model' editor was extended and renamed 'Summation and Multiplication' |
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| 114 | editor |
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| 115 | - Added more plot symbols options for 1d plots |
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| 116 | - Added improved trapping of compiling errors to the 'New model editor' |
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| 117 | - Added some intelligent outputs (e.g., Rg, background, or rod diameter |
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| 118 | depending on the choice of axis scale of the plot) to the linear fits |
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| 119 | - Added more models |
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| 120 | |
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| 121 | - Feature set from previous versions |
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| 122 | ----------------------------------- |
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| 123 | - Perspectives Available |
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| 124 | - Invariant calculator: Calculates the invariant, volume fraction, and |
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| 125 | specific surface area. |
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| 126 | - P(r) inversion calculator: Indirect Fourier transformation method. |
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| 127 | - Fitting: the tool used for modeling and fitting 1D and 2D data to |
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| 128 | analytical model functions |
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| 129 | - Tools: provides a number of useful supplementary tools such as SLD |
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| 130 | calculation |
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| 131 | |
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| 132 | - Fitting |
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| 133 | - Includes a large number of model functions, both form factors and structure factors. |
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| 134 | - Support P(Q)*S(Q) for form factors that flag they can be so multiplied. |
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| 135 | - Supports Gaussian, lognormal, Shulz, rectangular and custom distribution |
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| 136 | functions for models that need to include polydispersity or for orientational |
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| 137 | distributions if appropriate. |
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| 138 | - Anisotropic shapes and magnetic moment modeling in 2D allow for a non-uniform |
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| 139 | distribution of orientations of a given axis leading to modeling and fitting |
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| 140 | capabilities of non azimuthaly symmetric data. |
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| 141 | - User can choose to weight fits or not. If using weights, the user can choose |
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| 142 | the error bar on each point if provided in the file, the square root |
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| 143 | of the intensity or the intensity itself. |
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| 144 | - Instrumental resolution smearing of model or fits is provided with several |
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| 145 | options: read the resolution/point fromt he file. Input a pinhole resolution |
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| 146 | or a slit resolution. |
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| 147 | - Users can define the Qrange (Qmin and Qmax) for both 1D and 2D data for |
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| 148 | fitting and modeling, but not graphically. The range can be reset to the |
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| 149 | defaults (limits of q in data set for a fit) with the reset button. |
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| 150 | - A mask can be applied to 2D calculation and fitting. |
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| 151 | - Normalized residual plots are provided with every fit. |
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| 152 | - Model function help available through detail button or from the fitting panel. |
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| 153 | - Simultaneous/(advanced)constrained fitting allows for fitting a single |
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| 154 | data set or several different sets simultaneously with the application |
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| 155 | of advanced constraints relating fit parameters to functions of other |
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| 156 | parameters (including from a different set). For example thickness of |
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| 157 | shell = sin(30) times the length. |
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| 158 | - Models that are the sum of two other models can be easily generated through the |
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| 159 | SUM Model menubar item. |
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| 160 | - New Python models can be added on the fly by creating an appropriate Python |
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| 161 | file in the model plugin directory. Two tools are provided to help: |
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| 162 | An easy to use custom model editor allows the quick generation of new Python |
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| 163 | models by supplying only the parameters and their default value (box 1) |
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| 164 | and the mathematical function of the model (box 2) and generating the |
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| 165 | necessary *.py file. A separate advanced model editor provides a full Python |
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| 166 | file editor. Either way once saved the model becomes immediately available |
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| 167 | to the application. |
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| 168 | - A batch fitting capability allows for the analysis of a series of data sets to |
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| 169 | a single model and provides the results in a tabular form suitable for saving |
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| 170 | or plotting the evolution of the fit parameters with error bars (from within |
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| 171 | the application). |
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| 172 | |
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| 173 | - Tools |
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| 174 | - A scattering length density calculator,including some X-ray information |
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| 175 | is provided. |
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| 176 | - A density to vol. fraction converter is provided |
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| 177 | - In application access to a Python shell/editor (PyCrust) is provided |
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| 178 | - An instrument resolution calculator, including possible gravitational and |
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| 179 | TOF effects is provided |
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| 180 | - A slit size calculator optimized for Anton Paar Saxess is provided. |
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| 181 | - A kiessig fringe thickness calculator is provided |
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| 182 | |
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| 183 | - Plots and plot management |
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| 184 | - A 3D graphing option (for 2d data/results) is provided with the view |
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| 185 | controlled by the mouse |
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| 186 | - 2D plots are shown with an intensity color bar. 2D Color map can be user |
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| 187 | adjusted. |
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| 188 | - Supports output of plot to a variety of graphic formats. Supported formats |
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| 189 | include: png, eps, emf, jpg/jpeg, pdf, ps, tif/tiff, rawRGBbitmap(raw, rgba), |
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| 190 | and scalable vector graphic (svg/svgz) |
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| 191 | - Supports ouput of data in plot (1 or 2D) to limited data formats |
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| 192 | - Multiple data sets can be loaded into a single graph for viewing (but a fit |
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| 193 | plot can currently only have a single plot). |
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| 194 | - Extensive context sensitive plot/fitting/manipulation options are available |
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| 195 | through a right mouse click pop-up menu on plots. |
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| 196 | |
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| 197 | - Data management |
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| 198 | - Supports 2 + column 1D ASCII data, NIST 1D and 2D data, and canSAS data |
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| 199 | via plug-in mechanism which can easily allow other readers as appropriate. |
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| 200 | - 2D data is expected in Q space but for historical reasons accepts the |
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| 201 | NIST 2D raw pixel format and will do conversion internally. |
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| 202 | - The full data and metadata available to SasView is viewable in ASCII via |
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| 203 | right clicking on a data set and choosing Data Info in the DataExplorer |
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| 204 | or on the plots |
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| 205 | - Supports loading a single file, multiple files, or a whole folder |
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| 206 | - An optional Data Explorer is provided (default) which simplifies managing, |
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| 207 | plotting, deleting, or setup for computation. Most functions however do |
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| 208 | not require access to the explorer/manager and can be accessed through |
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| 209 | right click menus and the toolbar. The data explorer can be re-started |
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| 210 | from the menu bar. |
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| 211 | |
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| 212 | - Data manipulation |
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| 213 | - Support various 2D averaging methods : Circular, sectors, annular, |
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| 214 | boxsum, boxQx and boxQy. |
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| 215 | - A 2D data maks editor is provided |
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| 216 | - 2D mask can be applied to the circular averaging. |
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| 217 | |
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| 218 | - Miscellaneous features |
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| 219 | - limited reports can be generated in pdf format |
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| 220 | - Provides multiprocessor support(Windows only) |
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| 221 | - Limited startup customization currently includes default startup |
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| 222 | data folder and choice of default starting with data manager |
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| 223 | - Limited support for saving(opening) a SasView project or a SasView analysis |
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| 224 | (subproject) is provided. |
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| 225 | - SasView can be launched and loaded with a file of interesty by double-clicking |
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| 226 | on that file (recognized extension) |
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| 227 | - A data file or data folder can be passed to SasView when launched from |
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| 228 | the command line. |
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| 229 | - Limited bookmarking capability to later recall the results of a fit calculation |
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| 230 | is provided. |
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| 231 | - Extensive help is provided through context sensitive mouse roll-over, |
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| 232 | information bar (at the bottom of the panel), the console menu, and |
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| 233 | access to the help files in several different ways. |
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| 234 | |
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| 235 | |
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| 236 | 2- Downloading and Installing |
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| 237 | ============================= |
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| 238 | |
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| 239 | *** Note 1: Much more information is available at www.sasview.org under links. |
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| 240 | Look in the 'For Developers' section and particularly the wiki at |
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[9bc8e55] | 241 | www.sasview.org/trac/wiki. |
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[5911718] | 242 | *** Note 2: If you have EXE or ZIP SasView installer, you won't need any of |
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| 243 | the following. However it is highly recommended that any |
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| 244 | previous versions be un-installed prior to installing the |
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| 245 | new version. |
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| 246 | |
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| 247 | 2.1- System Requirements |
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| 248 | - Python version >= 2.5 and < 3.0 should be running on the system |
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| 249 | - We currently use Python 2.7 |
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| 250 | |
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| 251 | 2.2- Installing from source |
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| 252 | - Get the code from GitHub at https://github.com/SasView/sasview.git |
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| 253 | for this release version use: https://github.com/SasView/sasview/releases |
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| 254 | - run 'python setup.py install' under the 'sasview-x.x.x' folder |
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| 255 | - run 'python sasview.py' under the 'sasview' folder. |
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[9bc8e55] | 256 | |
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[5911718] | 257 | - The following modules are required (version numbers are what are used |
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| 258 | in the windows release build): |
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| 259 | |
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[9bc8e55] | 260 | - Common Packages |
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| 261 | - reportlab 3.1.44 |
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| 262 | - lxml 3.4.4.0 (MAC 3.4.2.0) |
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| 263 | - PIL 1.1.7 |
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| 264 | - xhtml2pdf 3.0.33 (MAC = not installed on build server) |
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| 265 | - unittest-xml-reporting 1.12.0 (MAC 1.10.0) |
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| 266 | - matplotlib Version Installed: 1.4.3 (MAC 1.1.1) |
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| 267 | - bumps Version Installed: 0.7.5.6 |
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| 268 | - scipy Version Installed: 0.16.0b2 (MAC 0.11.0) |
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| 269 | - periodictable Version Installed: 1.4.1 |
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| 270 | - setuptools Version Installed: 7.0 (MAC 12.0.5) |
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| 271 | - sphinx Version Installed: 1.3.1 (MAC 1.3b2) |
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| 272 | - pyparsing Version Installed: 2.0.3 |
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| 273 | - numpy Version Installed: 1.9.2 (MAC 1.6.2) |
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| 274 | - html5lib Version Installed: 0.99999 |
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| 275 | - wx Version Installed: 3.0.2.0 |
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| 276 | |
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| 277 | - Windows Specific Packages |
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| 278 | - pywin 219 |
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| 279 | - py2exe 0.6.9 |
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| 280 | - comtypes 1.1.1 |
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| 281 | - MinGW w/ gcc version 4.6.1 (WIN) |
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| 282 | - vcredist_x86.exe (version 9.0.21022.8 -microsoft visual C 2008 |
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| 283 | re-distributable) |
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| 284 | - Innosetup (WIN - isetup 5.4.2-unicode) - used to create distributable |
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[5911718] | 285 | |
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[9bc8e55] | 286 | *** Note: Windows build dependencies can be set up using anaconda. Instructions |
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| 287 | can be found at http://trac.sasview.org/wiki/AnacondaSetup |
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| 288 | |
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| 289 | - MAC Specifc Packages |
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| 290 | - py2app 0.7.1 |
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| 291 | |
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[5911718] | 292 | |
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| 293 | 3- Known Issues |
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| 294 | =============== |
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| 295 | |
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| 296 | 3.1- All systems: |
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[a29f9f0] | 297 | - The documentation window may take a few seconds to load the first time |
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| 298 | it is called. Also, an internet connection is required before |
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[5911718] | 299 | equations will render properly. Until then they will show in their |
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| 300 | original TeX format. |
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[d47b9ce] | 301 | - If the documentation window remains stubbornly blank, try installing a |
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[a29f9f0] | 302 | different browser and set that as your default browser. Issues have |
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| 303 | been noted with Internet Explorer 11. |
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[5911718] | 304 | - The copy and paste functions (^C, ^V) in the batch mode results grid |
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| 305 | require two clicks: one to select the cell and a second to select the |
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| 306 | contents of the cell. |
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[a29f9f0] | 307 | - The tutorial has not yet been updated and is somewhat out of date |
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[d47b9ce] | 308 | - Very old computers may struggle to run the 3.x and later releases |
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[5911718] | 309 | - Polydispersity on multiple parameters included in a simultaneous/ |
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| 310 | constrained fit will likely not be correct |
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| 311 | - Constrained/simultaneous fit page does not have a stop button |
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| 312 | - Constrained/simultaneous fit do not accept min/max limits |
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| 313 | - Save project does not store the state of all the windows |
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| 314 | - Loading projects can be very slow |
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| 315 | - Save Project only works once a data set has been associated with |
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| 316 | a model. Error is reported on status bar. |
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| 317 | - There is a numerical precision problem with the multishell model when |
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| 318 | the iner radius gets large enough (ticket #288) |
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| 319 | - The angular distribution angles are not clearly defined and may in |
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| 320 | some cases lead to incorrect calculations(ticket #332) |
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| 321 | |
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| 322 | 3.2- Windows: |
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| 323 | - If installed to same directory as old version without first removing |
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| 324 | the old version, the old desktop icon will remain but point to the |
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| 325 | new exe version. Likewise all the start menu folders and items will |
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| 326 | have the old name even though pointing to the new version. Usually |
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| 327 | safest to uninstall old version prior to installing new version anyway. |
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| 328 | |
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| 329 | 3.3- MAC: |
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| 330 | - Application normally starts up hidden. Click icon in Dock to view/use |
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| 331 | application. |
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[d47b9ce] | 332 | - Multiprocessing does not currently work on MAC OS |
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[5911718] | 333 | |
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| 334 | 3.4- Linux: |
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| 335 | - Not well tested |
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| 336 | |
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| 337 | |
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| 338 | 4- SasView website |
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| 339 | ================== |
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| 340 | |
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| 341 | - www.sasview.org. This main project site is the gateway to all |
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| 342 | information about the sasview project. It includes information |
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| 343 | about the project, a FAQ page and links to all developer and user |
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| 344 | information, tools and resources. |
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| 345 | |
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| 346 | |
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| 347 | 5- Frequently Asked Questions |
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| 348 | ============================= |
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| 349 | |
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| 350 | - www.sasview.org/faq.html |
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| 351 | |
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| 352 | |
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| 353 | 6- Installer download website |
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| 354 | ============================= |
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| 355 | |
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| 356 | - Latest release Version |
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| 357 | - https://github.com/SasView/sasview/releases |
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| 358 | - Latest developer builds |
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| 359 | - https://jenkins.esss.dk/sasview/view/Master-Builds/ |
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| 360 | |
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[6b20c4e] | 361 | |
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