Changeset 3bfcd9e in sasview
- Timestamp:
- Aug 13, 2018 3:47:15 PM (6 years ago)
- Branches:
- master, magnetic_scatt, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, unittest-saveload
- Children:
- ec52ea1
- Parents:
- fde3042 (diff), e2663b7 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent. - git-author:
- Paul Butler <butlerpd@…> (08/13/18 15:47:15)
- git-committer:
- GitHub <noreply@…> (08/13/18 15:47:15)
- Files:
-
- 7 edited
Legend:
- Unmodified
- Added
- Removed
-
src/sas/sasgui/perspectives/calculator/pyconsole.py
r4627657 re2663b7 28 28 Check that the model on the path can run. 29 29 """ 30 # TODO: fix model caching 31 # model_test.run_one() is directly forcing a reload of the module, but 32 # sasview_model is caching models that have already been loaded. 33 # If the sasview load happens before the test, then the module is 34 # reloaded out from under it, which causes the global variables in 35 # the model function definitions to be cleared (at least in python 2.7). 36 # To fix the proximal problem of models failing on test, perform the 37 # run_one() tests first. To fix the deeper problem we should either 38 # remove caching from sasmodels.sasview_model.load_custom_model() or 39 # add caching to sasmodels.custom.load_custom_kernel_module(). Another 40 # option is to add a runTests method to SasviewModel which runs the 41 # test suite directly from the model info structure. Probably some 42 # combination of options: 43 # (1) have this function (check_model) operate on a loaded model 44 # so that caching isn't needed in sasview_models.load_custom_model 45 # (2) add the runTests method to SasviewModel so that tests can 46 # be run on a loaded module. 47 # 48 # Also, note that the model test suite runs the equivalent of the 49 # "try running the model" block below, and doesn't need to be run 50 # twice. The reason for duplicating the block here is to generate 51 # an exception that show_model_output can catch. Need to write the 52 # runTests method so that it returns success flag as well as output 53 # string so that the extra test is not necessary. 54 55 # check the model's unit tests run 56 from sasmodels.model_test import run_one 57 result = run_one(path) 58 59 # remove cached version of the model, if any 60 from sasmodels import sasview_model 61 sasview_model.MODEL_BY_PATH.pop(path, None) 62 30 63 # try running the model 31 from sasmodels.sasview_model import load_custom_model 32 Model = load_custom_model(path) 64 Model = sasview_model.load_custom_model(path) 33 65 model = Model() 34 66 q = np.array([0.01, 0.1]) … … 36 68 qx, qy = np.array([0.01, 0.01]), np.array([0.1, 0.1]) 37 69 Iqxy = model.evalDistribution([qx, qy]) 38 39 # check the model's unit tests run40 from sasmodels.model_test import run_one41 result = run_one(path)42 70 43 71 return result -
installers/README-next-release.txt
r2f6d340 rfde3042 1 - New in Version 3.?.? 1 Release Notes 2 ============= 3 4 1- Features 5 =========== 6 - New in Version 4.2.0 7 -------------------- 8 This point release heralds many improvements and a host of bug fixes. But there are also some significant changes from previous versions. 9 10 - Changes 11 - The infrastucture for calculating 2D patterns from 3D orientated objects has been totally re-factored. It is now more accurate and consistent across models. 12 - The way that SasView defines the orientation of anisometric and aligned objects has been completely overhauled. It now differs from previous versions. 13 - Plugin models, including sum/multiply models, have completely migrated to the new infrastructure. ???DO WE NEED TO SAY SOMETHING ABOUT BACKWARD COMPATIBILITY OR LEGACY SUPPORT HERE??? 14 - The NeXus loader has been removed (as it is superseded by the NXcanSAS loader). 15 - Improvements 16 - The accuracy/speed of some numerical integrations have been improved. ???CHECK WITH PAULK??? 17 - An orientation viewer tool has been introduced (to assist in understanding the new orientation framework). 18 - Problems with the computation of magnetic scattering from some objects have been rectified. 19 - The known issue with the core_shell_parallelepiped model is now fixed. 20 - A number of issues and inconsistencies with the creation of sum|product models have been rectified (and more work is in progress). 21 - A Boltzmann distribution has been added for polydispersity/orientational distributions. 22 - Some batch slicing options have been introduced. 23 - Correlation function analysis now computes both the 1D and 3D functions. 24 - There are several data loading improvements. 25 - There are several improvements to Save/Load Project (with more to come). 26 - There have been numerous other bug fixes. 27 - Documentation 28 Several sections of the help documentation have undergone significant checking and updating, particularly those relating to orientation, magnetic scattering, and polydispersity distributions. 29 - Other work 30 - 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 31 - With this release we have started to prepare for the inevitable move to Python 3. 32 - SasView 5.0 is already in development. The two most significant features of this version will be (i) a move away from the present WxPython GUIs to new Qt5 GUIs, and (ii) implementation of the Beta-approximation for S(Q). Subject to resources, the latter functionality may be released (in a non-GUI form) in an interim SasView 4.3.0. 33 - Bug Fixes 34 Fixes # 14: Loading a saved project is really really slow 35 Fixes # 260: Box integration does not update when entering values in dialog 36 Fixes # 379: Need to make the BUMPS output page more more obvious 37 Fixes # 446: Saving plot as PGF (not PDF!) format throws error 38 Fixes # 467: Extend batch functionality to slicer 39 Fixes # 489: ABS reader (NIST 1D) does not handle negative dx properly (USANS slit smearing) 40 Fixes # 499: create sin(x)/x, 2*J1(x)/x and 3*j1(x)/x functions 41 Fixes # 510: Build PDF documentation along with HTML 42 Fixes # 525: Add GUI category defaults to models in sasmodels 43 Fixes # 579: clean up sasview directory 44 Fixes # 597: Need to document Combine Batch Fit 45 Fixes # 645: GUI logic problem in Batch vs single fit mode 46 Fixes # 648: Need to allow user input background value in Pr perspective 47 Fixes # 685: Fix data upload to marketplace 48 Fixes # 695: linear slope in onion model 49 Fixes # 735: Review new Corfunc documentation 50 Fixes # 741: Recalculate P(Q) and S(Q) components on model update. 51 Fixes # 767: Sum/Product Models don't do what they should 52 Fixes # 776: angular dispersity 53 Fixes # 784: Add 3D integral to Correlation Function analysis 54 Fixes # 786: core_shell_parallelepiped 1-D model is incorrect 55 Fixes # 818: report button followed by save makes an empty pdf file??? 56 Fixes # 830: Check compliance of loader against NXcanSAS-1.0 release 57 Fixes # 838: Fix model download from marketplace 58 Fixes # 848: can't save analysis when only one fit page 59 Fixes # 849: Load Folder should ignore files starting with . 60 Fixes # 852: More unit tests, especially for oriented or 2d models 61 Fixes # 854: remove unnecessary sleep() in fitting perspective 62 Fixes # 856: Reading SAS_OPENCL from custom_config sometimes raises an ERROR 63 Fixes # 861: cannot defined a structure factor plugin 64 Fixes # 864: New Model Editor (simple plugin editor) error parsing parameter line 65 Fixes # 865: Plugin live discovery issues 66 Fixes # 866: inform user when NaN is returned from compute 67 Fixes # 869: fit page computation thread cleanup 68 Fixes # 875: Possible weirdness with 1D NXcanSAS data 69 Fixes # 876: Add check for HDF5 format in dataloader 70 Fixes # 887: reorganize tree, separating the installed source from the build source 71 Fixes # 889: Refactor dataloader error handling infrastructure 72 Fixes # 890: use new orientation definition for asymmetric shapes 73 Fixes # 891: update docs for oriented shapes with new orientation definition 74 Fixes # 896: equations in core shell parallelepiped docs do not match code 75 Fixes # 898: Image Viewer Tool file selector issue 76 Fixes # 899: Igor Reader q calculation 77 Fixes # 902: IgorReader Q calculation needs fixing/improving 78 Fixes # 903: sasview - all non-gui tests should be converted to run in Python 3 79 Fixes # 906: polydispersity not showing up in tabulated results 80 Fixes # 912: About box points to misleading contributors page on Github 81 Fixes # 913: Need to add Diamond developer and logo in relevant places 82 Fixes # 915: load project issues 83 Fixes # 916: Proper Logging 84 Fixes # 920: Logarithmic binning option in the slice viewer 85 Fixes # 921: Improve developer communication methods 86 Fixes # 922: Remove support for all data formats that are not in q space 87 Fixes # 923: Add CI and trac integrations to Slack 88 Fixes # 930: fitting help says chisq is normalized to number of points 89 Fixes # 931: Allow admins to edit all models and upload data etc on marketplace 90 Fixes # 932: Need to fix upload of data files to marketplace 91 Fixes # 934: Slurp tutorial repo for tutorials 92 Fixes # 935: Build new tutorials as PDF 93 Fixes # 943: Deep copy error on setting model after data is selected 94 Fixes # 950: Most of the readers don't close files properly. 95 Fixes # 954: cross check dll/opencl/python polydispersity and orientation results 96 Fixes # 956: Possible problem with new doc build process 97 Fixes # 961: sasmodels tests should fail if the parameter name does not exist 98 Fixes # 962: star polymer typo in docs 99 Fixes # 966: Inconsistent chi2 reporting 100 Fixes # 967: no uncertainties errors on fitting parameters 101 Fixes # 969: About Box not picking up dls_logo.png 102 Fixes # 970: ASCII loader doesn't handle ISIS 2D ASCII 103 Fixes # 974: blacklist Intel HD 620/630 for double precision 104 Fixes # 978: load project fails for pages which have not been defined 105 Fixes # 980: Inconsistent results between Igor & SasView using Fractal Core-Shell model 106 Fixes # 983: Remove Nexus Loader 107 Fixes # 984: PDF reports are not being properly generated on Windows 108 Fixes # 985: Saving Project Fails 109 Fixes # 986: Send to fitting overwrites theory page even if blank FitPage has focus 110 Fixes # 990: utest_sasview.py giving different results than run_one.py 111 Fixes # 993: Windows x64 versions not installing to correct folder 112 Fixes # 994: Error changing fit engine 113 Fixes # 995: OpenCL required on Linux even if turned off in GUI 114 Fixes #1006: multiplicity models don't work with SQ 115 Fixes #1007: spherical_sld model freezes SasView 116 Fixes #1008: plugin model scaling not working? S 117 Fixes #1010: Win64 build script not creating working executable 118 Fixes #1011: sld_test failing on ubuntu 119 Fixes #1012: ESS GUI not updating after fitting 120 Fixes #1013: FileReaderBaseClass output[] not reset - same file loaded multiple times 121 Fixes #1018: add Boltzmann distribution 122 Fixes #1021: add PDF documentation to website and document in wiki release process 123 Fixes #1024: Update version numbers in master 124 Fixes #1025: Sum/multiply editor hangs 125 Fixes #1032: convert C++ modules to C 126 Fixes #1035: Order of combining P(Q) and S(Q) in Plugins seems to matter 127 Fixes #1037: data loader crop not working? & all fits crashing 128 Fixes #1043: problem compiling marketplace models 129 Fixes #1050: fix appveyor test for sasmodels win 64 python 3 130 Fixes #1052: Can't use a user-created plugin model in a plugin model 131 Fixes #1054: Check plugin & orientation descriptions in full docs once SasModels PR #57 is merged 132 Fixes #1057: phi rotation issue for elliptical cylinder 133 Fixes #1060: incorrect default for rectangle dispersion 134 Fixes #1062: win32 build not installing correctly 135 Fixes #1064: Fitting did not converge!!! error with a Sum|Multi plugin model 136 Fixes #1068: 2d data (from NG7) not loadiing - strange format? 137 Fixes #1069: GUI problem when using polydispersity/orientation distributions 138 Fixes #1070: Parameter error boxes should not be editable 139 Fixes #1072: Orientation distributions seem to depend on initial angle 140 Fixes #1079: Remove save button in report dialog on Mac 141 Fixes #1081: GUI problem with new orientation distribution 142 Fixes #1083: Magnetic models not being computed 143 Fixes #1099: Erratic behaviour of Sum|Multi model in 4.1.2 144 Fixes #1101: Batch results page not displaying polydispersity values 145 Fixes #1103: Problem with plugin models on mac when using ER 146 Fixes #1134: sum/multi scale factor in 4.2 seems incorrect? 147 Fixes #1139: Missing Docs and Help for new Batch Slicing 148 Fixes #1145: Update models in model marketplace to 4.2 when 4.2 is released. 149 Fixes #1146: Need to add Release notes for 4.2 150 - Current Known Issues 151 Listed here are known issues that users should be aware of. A full list of known bugs and feature requests is available at http://trac.sasview.org/report/3 152 - Blocker 153 Ticket #1131: OpencCl dialog does not open assigned wojciech defect blocker 154 Ticket #1132: Slit Size Calculator Tool not working assigned krzywon defect blocker 155 Ticket #1133: Reference in Acknowledging SasView box will need updating for release assigned ajj task blocker 156 Ticket #1142: Plugin framework is broken reopened pkienzle defect blocker 157 - Critical 158 Ticket #1148: Documentation for S(Q) models need updating SasView 4.2.0 assigned butler defect critical 159 - Other Significant 160 Ticket #1046: convert non builtin models in the marketplace to new API assigned butler task major 161 Ticket #1128: AutoPlot generation for model documentation does not include background assigned pkienzle defect major 162 Ticket #1140: Batch Slicer requires plotting of all 2D data sets to use in batch assigned krzywon enhancement major 163 Ticket #1141: Intro to scripting.rst needs improvement new pkienzle enhancement major 164 Ticket #1143: Validate new orientation distribution assigned butler task major 165 Ticket #1144: Redundant MultiplicationModel class new pkienzle defect major 166 - Model Issues 167 Corrections will be posted to Marketplace as available (and fixed in following release) 168 Ticket #1044: Unable to upload c file to marketplace assigned tim defect major 169 170 It is recommended that all users upgrade to this version, but your attention is drawn to the Changes section above. 171 172 173 - New in Version 4.1.2 174 -------------------- 175 This point release is a bug-fix release addressing: 176 177 - Fixes #984: PDF Reports Generate Empty PDFs 178 - Fixes a path typo 179 - 64 bit and 32 bit Windows executables now available 180 181 It is recommended that all users upgrade to this version 182 183 184 - New in Version 4.1.1 185 -------------------- 186 This point release is a bug-fix release addressing: 187 188 - Fixes #948: Mathjax CDN is going away 189 - Fixes #938: Cannot read canSAS1D file output by SasView 190 - Fixes #960: Save project throws error if empty fit page 191 - Fixes #929: Problem deleting data in first fit page 192 - Fixes #918: Test folders not bundled with release 193 - Fixes an issue with the live discovery of plugin models 194 - Fixes an issue with the NXcanSAS data loader 195 - Updated tutorials for SasView 4.x.y 196 197 198 - New in Version 4.1.0 199 ------------------ 200 This incremental release brings a series of new features and improvements, 201 and a host of bug fixes. Of particular note are: 202 203 - Correlation Function Analysis (Corfunc) 204 This performs a correlation function analysis of one-dimensional SAXS/SANS data, 205 or generates a model-independent volume fraction profile from the SANS from an 206 adsorbed polymer/surfactant layer. 207 208 A correlation function may be interpreted in terms of an imaginary rod moving 209 through the structure of the material. Î1D(R) is the probability that a rod of 210 length R moving through the material has equal electron/neutron scattering 211 length density at either end. Hence a frequently occurring spacing within a 212 structure manifests itself as a peak. 213 214 A volume fraction profile \Phi(z) describes how the density of polymer 215 segments/surfactant molecules varies with distance from an (assumed locally flat) 216 interface. 217 218 - Fitting of SESANS Data 219 Data from Spin-Echo SANS measurements can now be loaded and fitted. The data will 220 be plotted against the correct axes and models will automatically perform a Hankel 221 transform in order to calculate SESANS from a SANS model. 222 223 - Documentation 224 The documentation has undergone significant checking and updating. 225 226 - Improvements 227 - Correlation function (corfunc) analysis of 1D SAS data added from CCP13 228 - File converter tool for multi-file single column data sets 229 - SESANS data loading and direct fitting using the Hankel transformation 230 - Saving and loading of simultaneous and constrained fits now supported 231 - Save states from SasView v3.x.y now loaded using sasmodel model names 232 - Saving and loading of projects with 2D fits now supported 233 - Loading a project removes all existing data, fits, and plots 234 - Structure factor and form factor can be plotted independently 235 - OpenCL is disabled by default and can be enabled through a fit menu 236 - Data and theory fields are now independently expandable 237 - Bug Fixes 238 - Fixes #667: Models computed multiple times on parameters changes 239 - Fixes #673: Custom models override built in models of same name 240 - Fixes #678: Hard crash when running complex models on GPU 241 - Fixes $774: Old style plugin models unloadable 242 - Fixes #789: stacked disk scale doesn't match cylinder model 243 - Fixes #792: core_shell_fractal uses wrong effective radius 244 - Fixes #800: Plot range reset on plot redraws 245 - Fixes #811 and #825: 2D smearing broken 246 - Fixes #815: Integer model parameter handling 247 - Fixes #824: Cannot apply sector averaging when no detector data present 248 - Fixes #830: Cansas HDF5 reader fully compliant with NXCanSAS v1.0 format 249 - Fixes #835: Fractal model breaks with negative Q values 250 - Fixes #843: Multilayer vesicle does not define effective radius 251 - Fixes #858: Hayter MSA S(Q) returns errors 252 - Numerous grammatical and contexual errors in documention 253 254 255 - New in Version 4.0.1 256 ------------------ 257 This release fixes the critical bug #750 in P(Q)*S(Q). Most damaging 258 it appears that the background term was being added to S(Q) prior to 259 multiplication by P(Q). 260 261 262 - New in Version 4.0 263 ------------------ 264 This release fixes the various bugs found during the alpha and beta testing 265 - Improvements 266 - Support for reading data files from Anton Paar Saxess instruments 267 - Adds documentation on how to write custom models in the new framework 268 - Bug Fixes 269 - Fixes bug #604 Pringle model questions 270 - Fixes bug #472 Reparameterize Teubner-Strey 271 - Fixes bug #530 Numerical instabilities in Teubner Strey model 272 - Fixes bug #658 ASCII reader very broken 273 274 275 - New in Version 4.0 beta 1 276 -------------------- 277 This beta adds support for the magnetic and multilevel models of 3.1.2 278 and along with a host of bug fixes found in the alpha. 279 280 - Model package changes and improvements 281 - All 3.1.2 models now available in new interface 282 - Old custom models should now still work 283 - '''NOTE:''' These will be deprecated in a future version. Old 284 custom models should be converted to the new model format which 285 is now the same as the built in models and offers much better 286 support. 287 - Custom model editor now creates new style models 288 - Custom model editor supports better error checking 289 - Documentation improvements 290 - Continued general cleanup 291 - Other improvements/additions 292 - Support for new canSAS 2D data files added 293 - Plot axes range can now be set manually as well as by zooming 294 - Plot annotations can now be moved around after being placed on plot. 295 - The active optimizer is now listed on the top of the fit panel. 296 - Linear fits now update qmin and max when the x scale limits are 297 changed. Also the plot range no longer resets after a fit. 298 - Bug fixes 299 - Fixes bug #511 Errors in linearized fits and clean up of interface 300 including Kratky representation 301 - Fixes bug #186 Data operation Tool now executes when something is 302 entered in the text box and does not wait for the user to hit enter 303 - Fixes bug #459 plot context menu bug 304 - Fixes bug #559 copy to clipboard in graph menu broken 305 - Fixes bug #466 cannot remove a linear fit from graph 306 - Numerous bugs introduced in the alpha 307 308 309 - New in Version 4.0.0-alpha 310 -------------------- 311 This alpha release brings a major overhaul of the model system. The new model 312 package allows rapid integration of custom models and access to polydispersity 313 without requiring a compiler. 314 315 - Model package changes and improvements 316 - Model interface moved to independent sasmodels package. 317 - Most models converted to new interface. 318 - Allows rapid integration of user-written models. 319 - OpenCL GPU utilization for faster fitting. 320 - Improved numerical integration of Bessel functions. 321 - SESANS integration and implementation 322 - Scripting interface added for analysis of SESANS data. 323 - Hankel transformation now accepts finite acceptance angles. 324 - 2D cosine transformation added for TOF SESANS analysis. 325 - Documentation improvements 326 - The documentation tree was restructured for a better end user experience. 327 - The documentation for each model was revamped and verified by at least 328 two people following the conversion of the model. 329 - Theoretical 1D (and 2D if applicable) scattering curves are auto-generated 330 and added to the model documentation for each model. 331 - Separation of GUI and calculations for future GUI enhancements 332 - Bug fixes 333 - Fixes bug #411 No stop button on simultaneous fit page 334 - Fixes bug #410 Error with raspberry model 335 - Fixes bug #364 Possible inconsistency in Poly_GausCoil model 336 - Fixes bug #439 Hayter Penfold MSA code needs checking 337 - Fixes bug #484 lammellerPC is precision limited 338 - Fixes bug #498 $HOME/.matplotlib conflicts 339 - Fixes bug #348 Control order in which fit parameters appear in the gui 340 - Fixes bug #456 Provide DREAM Results Panel with something to identify 341 data and age of results 342 - Fixes bug #556 Build script improvements for developers 343 344 345 - New in Version 3.1.2 2 346 -------------------- 3 347 This release is a major stability improvement, having fixed a serious bug 348 that came to light since release 3.1.1. All users should upgrade. 349 350 - Fixes bug #468 broken remove constraint buttons in 351 simultaneous/constrained fitting panel 352 - Fixes bug #474 resulting from changes in 3.1.1 that had 353 introduced an error in the high-Q of slit-smeared models. 354 - Fixes bug #478 which would cause wx to run out of IDs and result 355 in SasView crashing even if left alone. 356 - Fixes bug #479 missing help button on simultaneous/constrained fit page 357 - Fixes bug #480 GUI resizing issues on simultaneous fit page 358 - Fixes bug #486 broken Report Results 359 - Fixes bug #488 redraw issues in fit page 360 361 362 - New in Version 3.1.1 363 -------------------- 364 - Fixes bug #457 that prevented SasView from starting if the user was not 365 connected to the internet, or was behind a proxy server. 366 367 368 - New in Version 3.1.0 369 -------------------- 370 - The documentation/help has had a complete overhaul including: 371 - A completely new presentation interface (Sphinx). 372 - Proof reading! 373 - Updating for latest features. 374 - A Help (or sometimes ?) button has been added to every panel, and some 375 sub panels if appropriate, linking to the appropriate section in the 376 documentation. 377 - The model help has been split so that the Details button now brings up 378 a very short pop-up giving the equation being used while HELP goes to 379 the section in the full documentation describing the model. 380 - Extensive help has also been added for the new optimizer engine (see 381 below) including rules of thumb on how and when to choose a given 382 optimizer and what the parameters do. 383 - The optimizer engine has been completely replaced. The new optimizer 384 still defaults to the standard Levenberg-Marquardt algorithm. However 4 385 other optimizers are now also available. Each starts with a set of default 386 parameters which can be tuned. The DREAM optimizer takes the longest but 387 is the most powerful and yields rich information including full parameter 388 correlation and uncertainty plots. A results panel has been added to 389 accommodate this. 390 - The five new optimizers are: 391 - A Levenberg-Marquardt optimizer 392 - A Quasi-Newton BFGS optimizer 393 - A Nelder-Mead Simplex optimizer 394 - A Differential Evolution optimizer 395 - A Monte Carlo optimizer (DREAM) 4 396 - New models were added: 5 - LamellarPolLz 6 397 - MicelleSphCoreModel (currently residing in the Uncategorized category) 7 398 - Existing models were updated: 8 - LamellarPS and LamellarPSHG have been changed to LamellarCaille and 9 LamellarCailleHG 10 399 - LamellarPS (bug in polydispersity integration fixed) 400 - RectangularPrismModel 401 - RectangularHollowPrismModel 402 - RectangularHollowPrismInfThinWallsModel 403 - Infrastructure to allow SESANS data to be fit with models was added. This 404 will become available in a future release but can currently be used from 405 the command line with some caveats. 406 - A number of bugs were fixed including a thread crashing issue and an 407 incorrect slit smearing resolution calculation. 408 - Implemented much more robust error logging to enable much easier 409 debugging in general but particularly the debugging of issues reported by 410 SasView users. 411 - A number of infrastructure tasks under the hood to enhance maintainability 412 - Upgrade from Wx 2.8 to Wx 3.0.2 which allows several new features but 413 required significant additional rework as well. 414 - Fully implemented Sphinx to the build process to produce both better 415 user documentation and developer documentation. 416 - Restructuring of the code base to more unified nomenclature and structure 417 so that the source installation tree more closely matches the installer 418 version tree. 419 - Code cleanup (an ongoing task) . 420 - Migration of the repository to github simplifying contributions from 421 non-project personnel through pull requests. 422 423 424 - New in Version 3.0.0 425 -------------------- 426 - The GUI look and feel has been refactored to be more familiar for 427 Windows users by using MDI frames. Graph windows are also now free- 428 floating. 429 - Five new models have been added: PringlesModel, CoreShellEllipsoidXTModel, 430 RectangularPrismModel, RectangularHollowPrismModel and 431 RectangularHollowPrismInfThinWallsModel. 432 - The data loader now supports ILL DAT data files and reads the full meta 433 information from canSAS file formats. 434 - Redefined convention for specifying angular parameters for anisotropic 435 models. 436 - A number of minor features have been added such as permitting a log 437 distribution of points when using a model to simulate data, and the 438 addition of a Kratky plot option to the linear plots. 439 - A number of bugs have also been fixed. 440 - Save Project and Save Analysis now work more reliably. 441 - BETA: Magnetic contrast supporting full polarization analysis has been 442 implemented for some spherical and cylindrical models. 443 - BETA: Two new tools have been added: 444 - A generic scattering calculator which takes an atomic, magnetic or 445 SLD distribution in space and generates the appropriate 2D 446 scattering pattern. In some cases the orientationally averaged 447 (powder) 1D scattering can also be computed. Supported formats 448 include: SLD or text, PDB, and OMF magnetic moment distribution 449 file. 450 - An image viewer/converter for data in image format; this reads in 451 an image file and will attempt to convert the image pixels to 452 data. Supported formats include: TIFF, TIF, PNG, BMP, JPG. 453 454 455 - New in Version 2.2.1 456 -------------------- 457 - Minor patch to support CanSAS XML v1.1 file format 458 - Added DataInfo for data in the DataExplorer and plots 459 - Added Maximize/Restore button in the title bar of the graphs 460 - Added a hide button in the toolbar of the graph panel 461 - The 'x' button now deletes a graph 462 - Edit SUM Model from the menubar can now generate and save more than one sum model 463 - Reports can now be saved in pdf format on WIN and MAC 464 - Made significant improvements to the batch/grid panel and fixed several bugs 465 - Fixed a number of other minor bugs 466 467 468 - New in Version 2.2.0 469 -------------------- 470 - Application name changed to SasView 471 - New fully customizable Category Manager added for better management of 472 increasing number of models 473 - Improved the Grid Window functionality in the batch fitting mode 474 - Added a simpler Graph/Plot modification interface 475 - Added a new 'Data Operation' tool for addition, subtraction, multiplication, 476 division, of two data sets. 477 - The 'Sum Model' editor was extended and renamed 'Summation and Multiplication' 478 editor 479 - Added more plot symbols options for 1d plots 480 - Added improved trapping of compiling errors to the 'New model editor' 481 - Added some intelligent outputs (e.g., Rg, background, or rod diameter 482 depending on the choice of axis scale of the plot) to the linear fits 483 - Added more models 484 485 - Feature set from previous versions 486 ----------------------------------- 487 - Perspectives Available 488 - Invariant calculator: Calculates the invariant, volume fraction, and 489 specific surface area. 490 - P(r) inversion calculator: Indirect Fourier transformation method. 491 - Fitting: the tool used for modeling and fitting 1D and 2D data to 492 analytical model functions 493 - Tools: provides a number of useful supplementary tools such as SLD 494 calculation 495 496 - Fitting 497 - Includes a large number of model functions, both form factors and structure factors. 498 - Support P(Q)*S(Q) for form factors that flag they can be so multiplied. 499 - Supports Gaussian, lognormal, Shulz, rectangular and custom distribution 500 functions for models that need to include polydispersity or for orientational 501 distributions if appropriate. 502 - Anisotropic shapes and magnetic moment modeling in 2D allow for a non-uniform 503 distribution of orientations of a given axis leading to modeling and fitting 504 capabilities of non azimuthaly symmetric data. 505 - User can choose to weight fits or not. If using weights, the user can choose 506 the error bar on each point if provided in the file, the square root 507 of the intensity or the intensity itself. 508 - Instrumental resolution smearing of model or fits is provided with several 509 options: read the resolution/point fromt he file. Input a pinhole resolution 510 or a slit resolution. 511 - Users can define the Qrange (Qmin and Qmax) for both 1D and 2D data for 512 fitting and modeling, but not graphically. The range can be reset to the 513 defaults (limits of q in data set for a fit) with the reset button. 514 - A mask can be applied to 2D calculation and fitting. 515 - Normalized residual plots are provided with every fit. 516 - Model function help available through detail button or from the fitting panel. 517 - Simultaneous/(advanced)constrained fitting allows for fitting a single 518 data set or several different sets simultaneously with the application 519 of advanced constraints relating fit parameters to functions of other 520 parameters (including from a different set). For example thickness of 521 shell = sin(30) times the length. 522 - Models that are the sum of two other models can be easily generated through the 523 SUM Model menubar item. 524 - New Python models can be added on the fly by creating an appropriate Python 525 file in the model plugin directory. Two tools are provided to help: 526 An easy to use custom model editor allows the quick generation of new Python 527 models by supplying only the parameters and their default value (box 1) 528 and the mathematical function of the model (box 2) and generating the 529 necessary *.py file. A separate advanced model editor provides a full Python 530 file editor. Either way once saved the model becomes immediately available 531 to the application. 532 - A batch fitting capability allows for the analysis of a series of data sets to 533 a single model and provides the results in a tabular form suitable for saving 534 or plotting the evolution of the fit parameters with error bars (from within 535 the application). 536 537 - Tools 538 - A scattering length density calculator,including some X-ray information 539 is provided. 540 - A density to vol. fraction converter is provided 541 - In application access to a Python shell/editor (PyCrust) is provided 542 - An instrument resolution calculator, including possible gravitational and 543 TOF effects is provided 544 - A slit size calculator optimized for Anton Paar Saxess is provided. 545 - A kiessig fringe thickness calculator is provided 546 547 - Plots and plot management 548 - A 3D graphing option (for 2d data/results) is provided with the view 549 controlled by the mouse 550 - 2D plots are shown with an intensity color bar. 2D Color map can be user 551 adjusted. 552 - Supports output of plot to a variety of graphic formats. Supported formats 553 include: png, eps, emf, jpg/jpeg, pdf, ps, tif/tiff, rawRGBbitmap(raw, rgba), 554 and scalable vector graphic (svg/svgz) 555 - Supports ouput of data in plot (1 or 2D) to limited data formats 556 - Multiple data sets can be loaded into a single graph for viewing (but a fit 557 plot can currently only have a single plot). 558 - Extensive context sensitive plot/fitting/manipulation options are available 559 through a right mouse click pop-up menu on plots. 560 561 - Data management 562 - Supports 2 + column 1D ASCII data, NIST 1D and 2D data, and canSAS data 563 via plug-in mechanism which can easily allow other readers as appropriate. 564 - 2D data is expected in Q space but for historical reasons accepts the 565 NIST 2D raw pixel format and will do conversion internally. 566 - The full data and metadata available to SasView is viewable in ASCII via 567 right clicking on a data set and choosing Data Info in the DataExplorer 568 or on the plots 569 - Supports loading a single file, multiple files, or a whole folder 570 - An optional Data Explorer is provided (default) which simplifies managing, 571 plotting, deleting, or setup for computation. Most functions however do 572 not require access to the explorer/manager and can be accessed through 573 right click menus and the toolbar. The data explorer can be re-started 574 from the menu bar. 575 576 - Data manipulation 577 - Support various 2D averaging methods : Circular, sectors, annular, 578 boxsum, boxQx and boxQy. 579 - A 2D data maks editor is provided 580 - 2D mask can be applied to the circular averaging. 581 582 - Miscellaneous features 583 - limited reports can be generated in pdf format 584 - Provides multiprocessor support(Windows only) 585 - Limited startup customization currently includes default startup 586 data folder and choice of default starting with data manager 587 - Limited support for saving(opening) a SasView project or a SasView analysis 588 (subproject) is provided. 589 - SasView can be launched and loaded with a file of interesty by double-clicking 590 on that file (recognized extension) 591 - A data file or data folder can be passed to SasView when launched from 592 the command line. 593 - Limited bookmarking capability to later recall the results of a fit calculation 594 is provided. 595 - Extensive help is provided through context sensitive mouse roll-over, 596 information bar (at the bottom of the panel), the console menu, and 597 access to the help files in several different ways. 598 599 600 2- Downloading and Installing 601 ============================= 602 603 *** Note 1: Much more information is available at www.sasview.org under links. 604 Look in the 'For Developers' section and particularly the wiki at 605 www.sasview.org/trac/wiki. 606 *** Note 2: If you have EXE or ZIP SasView installer, you won't need any of 607 the following. However it is highly recommended that any 608 previous versions be un-installed prior to installing the 609 new version. 610 611 2.1- System Requirements 612 - Python version >= 2.5 and < 3.0 should be running on the system 613 - We currently use Python 2.7 614 615 2.2- Installing from source 616 - Get the source code 617 - to follow the current development version from source control use 618 git clone https://github.com/SasView/sasview.git 619 git clone https://github.com/bumps/bumps.git 620 - to install a specific version 621 622 - Build, install and run a specific release 623 - make sure the requirements below are already installed 624 - retrieve the source from https://github.com/SasView/sasview/releases 625 - open a command line window in the 'sasview-x.x.x' directory 626 - run 'python setup.py install' 627 - run 'python sasview.py' under the 'sasview' folder. 628 629 - Build, install and run the current development version 630 - clone the source from git; also clone bumps, which is developed in parallel 631 git clone https://github.com/SasView/sasview.git 632 git clone https://github.com/bumps/bumps.git 633 - open a command line window in the 'sasview' directory 634 - run 'python setup.py build' 635 - run 'python run.py'; this runs from the source directories, so you 636 don't have to rebuild every time you make a change, unless you are 637 changing the C++ model files 638 639 - The following modules are required (version numbers are what are used 640 in the windows release build): 641 642 - Common Packages 643 - reportlab 3.1.44 644 - lxml 3.4.4.0 (MAC 3.4.2.0) 645 - PIL 1.1.7 646 - xhtml2pdf 3.0.33 (MAC = not installed on build server) 647 - unittest-xml-reporting 1.12.0 (MAC 1.10.0) 648 - matplotlib Version Installed: 1.4.3 (MAC 1.1.1) 649 - bumps Version Installed: 0.7.5.9 650 - scipy Version Installed: 0.16.0b2 (MAC 0.11.0) 651 - periodictable Version Installed: 1.4.1 652 - setuptools Version Installed: 7.0 (MAC 12.0.5) 653 - sphinx Version Installed: 1.3.1 (MAC 1.3b2) 654 - pyparsing Version Installed: 2.0.3 655 - numpy Version Installed: 1.9.2 (MAC 1.6.2) 656 - html5lib Version Installed: 0.99999 657 - wx Version Installed: 3.0.2.0 658 659 - Windows Specific Packages 660 - pywin 219 661 - py2exe 0.6.9 662 - comtypes 1.1.1 663 - MinGW w/ gcc version 4.6.1 (WIN) 664 - vcredist_x86.exe (version 9.0.21022.8 -microsoft visual C 2008 665 re-distributable) 666 - Innosetup (WIN - isetup 5.4.2-unicode) - used to create distributable 667 668 *** Note: Windows build dependencies can be set up using anaconda. Instructions 669 can be found at http://trac.sasview.org/wiki/AnacondaSetup 670 671 - MAC Specifc Packages 672 - py2app 0.7.1 673 674 675 3- Known Issues 676 =============== 677 678 4.1- All systems: 679 The conversion to sasmodels infrastructure is ongoing and should be 680 completed in the next release. In the meantime this leads to a few known 681 issues: 682 - The way that orientation is defined is being refactored to address 683 long standing issues and comments. In release 4.1 however only models 684 with symmetry (e.g. a=b) have been converted to the new definitions. 685 The rest (a <> b <> c - e.g. parellelepiped) maintain the same 686 definition as before and will be converted in 4.2. Note that 687 orientational distribution also makes much more sense in the new 688 framework. The documentation should indicate which definition is being 689 used for a given model. 690 - The infrastructure currently handles internal conversion of old style 691 models so that user created models in previous versions should continue 692 to work for now. At some point in the future such support will go away. 693 Everyone is encouraged to convert to the new structure which should be 694 relatively straight forward and provides a number of benefits. 695 - In that vein, the distributed models and those generated by the new 696 plugin model editor are in the new format, however those generated by 697 sum|multiply models are the old style sum|multiply models. This should 698 also disappear in the near future 699 - The on the fly discovery of plugin models and changes thereto behave 700 inconsistently. If a change to a plugin model does not seem to 701 register, the Load Plugin Models (under fitting -> Plugin Model 702 Operations) can be used. However, after calling Load Plugin Models, the 703 active plugin will no longer be loaded (even though the GUI looks like 704 it is) unless it is a sum|multiply model which works properly. All 705 others will need to be recalled from the model dropdown menu to reload 706 the model into the calculation engine. While it might be annoying it 707 does not appear to prevent SasView from working.. 708 - The model code and documentation review is ongoing. At this time the 709 core shell parellelepiped is known to have the C shell effectively fixed 710 at 0 (noted in documentation) while the triaxial ellipsoid does not seem 711 to reproduce the limit of the oblate or prolate ellipsoid. If errors are 712 found and corrected, corrected versions will be uploaded to the 713 marketplace. 714 715 3.1- All systems: 716 - The documentation window may take a few seconds to load the first time 717 it is called. Also, an internet connection is required before 718 equations will render properly. Until then they will show in their 719 original TeX format. 720 - If the documentation window remains stubbornly blank, try installing a 721 different browser and set that as your default browser. Issues have 722 been noted with Internet Explorer 11. 723 - Check for Updates may fail (with the status bar message ' Cannot 724 connect to the application server') if your internet connection uses 725 a proxy server. Tested resolutions for this are described on the 726 website FAQ. 727 - The copy and paste functions (^C, ^V) in the batch mode results grid 728 require two clicks: one to select the cell and a second to select the 729 contents of the cell. 730 - The tutorial has not yet been updated and is somewhat out of date 731 - Very old computers may struggle to run the 3.x and later releases 732 - Polydispersity on multiple parameters included in a simultaneous/ 733 constrained fit will likely not be correct 734 - Constrained/simultaneous fit page does not have a stop button 735 - Constrained/simultaneous fit do not accept min/max limits 736 - Save project does not store the state of all the windows 737 - Loading projects can be very slow 738 - Save Project only works once a data set has been associated with 739 a model. Error is reported on status bar. 740 - There is a numerical precision problem with the multishell model when 741 the iner radius gets large enough (ticket #288) 742 - The angular distribution angles are not clearly defined and may in 743 some cases lead to incorrect calculations(ticket #332) 744 745 3.2- Windows: 746 - If installed to same directory as old version without first removing 747 the old version, the old desktop icon will remain but point to the 748 new exe version. Likewise all the start menu folders and items will 749 have the old name even though pointing to the new version. Usually 750 safest to uninstall old version prior to installing new version anyway. 751 752 3.3- MAC: 753 - Application normally starts up hidden. Click icon in Dock to view/use 754 application. 755 - Multiprocessing does not currently work on MAC OS 756 757 3.4- Linux: 758 - Not well tested 759 760 761 4- SasView website 762 ================== 763 764 - www.sasview.org. This main project site is the gateway to all 765 information about the sasview project. It includes information 766 about the project, a FAQ page and links to all developer and user 767 information, tools and resources. 768 769 770 5- Frequently Asked Questions 771 ============================= 772 773 - www.sasview.org/faq.html 774 775 776 6- Installer download website 777 ============================= 778 779 - Latest release Version 780 - https://github.com/SasView/sasview/releases 781 - Latest developer builds 782 - https://jenkins.esss.dk/sasview/view/Master-Builds/ -
src/sas/sascalc/dataloader/readers/abs_reader.py
re3775c6 rbd5c3b1 171 171 172 172 try: 173 _x = float(toks[ 0])173 _x = float(toks[4]) 174 174 _y = float(toks[1]) 175 175 _dy = float(toks[2]) -
src/sas/sascalc/fit/pagestate.py
r3b070a0 r59873e1 13 13 ################################################################################ 14 14 import time 15 import re 15 16 import os 16 17 import sys … … 962 963 if node.get('version'): 963 964 # Get the version for model conversion purposes 964 self.version = tuple(int(e) for e in965 str.split(node.get('version'), "."))965 x = re.sub('[^\d.]', '', node.get('version')) 966 self.version = tuple(int(e) for e in str.split(x, ".")) 966 967 # The tuple must be at least 3 items long 967 968 while len(self.version) < 3: -
src/sas/sasgui/guiframe/local_perspectives/plotting/parameters_panel_slicer.py
ra26f67f ra20a255 251 251 self.bck.Add(self.batch_slicer_button, (iy, ix), (1, 1), 252 252 wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15) 253 # Help button 254 255 self.bt_help = wx.Button(self, wx.NewId(), "HELP") 256 self.bt_help.SetToolTipString( 257 "Help for the slicer parameters and batch slicing.") 258 self.bck.Add(self.bt_help, (iy, 1), (1, 1), 259 wx.ALIGN_RIGHT | wx.ADJUST_MINSIZE, 15) 260 wx.EVT_BUTTON(self, self.bt_help.GetId(), self.on_help) 261 253 262 iy += 1 254 263 self.bck.Add((5, 5), (iy, ix), (1, 1), 255 264 wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 5) 265 256 266 self.bck.Layout() 257 267 self.bck.Fit(self) … … 535 545 self.default_value += "_{0}".format(key).split(" [")[0] 536 546 self.default_value += "-{:.2f}".format(params[key]) 547 548 def on_help(self, event=None): 549 """ 550 Opens a help window for the slicer parameters/batch slicing window 551 :param event: 552 :return: 553 """ 554 from sas.sasgui.guiframe.documentation_window import DocumentationWindow 555 556 _TreeLocation = "user/sasgui/guiframe/graph_help.html" 557 _doc_viewer = DocumentationWindow(self, wx.ID_ANY, _TreeLocation, 558 "#d-data-averaging", 559 "Data Explorer Help") -
src/sas/sasgui/guiframe/media/graph_help.rst
r5ed76f8 rde68f78 266 266 267 267 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 268 .. _d_data_averaging: 268 269 269 270 2D data averaging … … 301 302 Alternatively, once a 'slicer' is active you can also select the region to 302 303 average by bringing back the *Dataset Menu* and selecting *Edit Slicer 303 Parameters*. A dialog window will appear in which you can enter values to 304 define a region or select the number of points to plot (*nbins*). 304 Parameters and Batch Fitting*. A dialog window will appear in which you can 305 enter values to define a region, select the number of points to plot (*nbins*), 306 or apply the slicer to any or all other 2D data plots. 305 307 306 308 A separate plot window will also have appeared, displaying the requested … … 315 317 316 318 To remove a 'slicer', bring back the *Dataset menu* and select *Clear Slicer*. 319 320 Batch Slicing 321 ^^^^^^^^^^^^^ 322 323 A slicer can be applied to any or all existing 2D data plots using the 'Slicer 324 Parameters' window. To open the window, select *Edit Slicer Parameters and Batch 325 Fitting* in the *Dataset Menu* (see Invoking_the_dataset_menu_). Batch slicing 326 options are available at the bottom of the window. 327 328 Select the 2D plots you want to apply the slicer to. All 2D plots are selected 329 by default. The resulting 1D data for all slicers can be saved as a text file 330 and then sent to fitting by selecting the *Auto save generated 1D* check box. 331 Sending data to the fitting perspective requires the data be saved. 332 333 Once the auto save check box is selected, you can select where the files are 334 saved. The file name for the saved data is the slicer name plus the file name 335 of the original data set, plus what is in the *Append to file name* field. The 336 default value in the append to field includes the names and values for all of 337 the slicer parameters. 338 339 The batch of slices can be sent to fitting if desired, with three options 340 available. The first is to not fit the data, the second is to send the 341 slices to individual fit pages, and the third is to send all sliced data to a 342 single batch fit window. 343 344 Clicking *Apply Slicer to Selected Plots* will create a slicer for each selected 345 plot with the parameters entered in the 'Slicer Parameters' window. Depending on 346 the options selected the data may then be saved, loaded as separate data sets in 347 the data manager panel, and finally sent to fitting. 317 348 318 349 Unmasked circular average -
test/sasdataloader/test/utest_abs_reader.py
rfa749b7 rbd5c3b1 53 53 54 54 self.assertEqual(self.data.y_unit, 'cm^{-1}') 55 self.assertEqual(self.data.x[0], 0.00 2618)56 self.assertEqual(self.data.x[1], 0.0 07854)57 self.assertEqual(self.data.x[2], 0.0 1309)55 self.assertEqual(self.data.x[0], 0.008082) 56 self.assertEqual(self.data.x[1], 0.0275) 57 self.assertEqual(self.data.x[2], 0.02762) 58 58 self.assertEqual(self.data.x[126], 0.5828) 59 59
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