FitBenchmarking 1.0.0rc1__tar.gz → 1.2.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (989) hide show
  1. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/.gitignore +6 -2
  2. fitbenchmarking-1.2.0/PKG-INFO +92 -0
  3. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/README.md +10 -9
  4. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/__main__.py +2 -1
  5. fitbenchmarking-1.2.0/fitbenchmarking/cli/checkpoint_handler.py +421 -0
  6. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cli/exception_handler.py +8 -7
  7. fitbenchmarking-1.2.0/fitbenchmarking/cli/main.py +571 -0
  8. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/base_controller.py +192 -72
  9. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/bumps_controller.py +64 -45
  10. fitbenchmarking-1.2.0/fitbenchmarking/controllers/ceres_controller.py +211 -0
  11. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/controller_factory.py +28 -18
  12. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/dfo_controller.py +35 -36
  13. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/gofit_controller.py +58 -37
  14. fitbenchmarking-1.2.0/fitbenchmarking/controllers/gradient_free_controller.py +171 -0
  15. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/gsl_controller.py +69 -50
  16. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/horace_controller.py +43 -38
  17. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/levmar_controller.py +26 -23
  18. fitbenchmarking-1.2.0/fitbenchmarking/controllers/lmfit_controller.py +203 -0
  19. fitbenchmarking-1.2.0/fitbenchmarking/controllers/mantid_controller.py +374 -0
  20. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/matlab_controller.py +27 -20
  21. fitbenchmarking-1.2.0/fitbenchmarking/controllers/matlab_curve_controller.py +123 -0
  22. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/matlab_mixin.py +42 -29
  23. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/matlab_opt_controller.py +62 -41
  24. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/matlab_stats_controller.py +28 -21
  25. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/minuit_controller.py +34 -24
  26. fitbenchmarking-1.2.0/fitbenchmarking/controllers/nlopt_controller.py +196 -0
  27. fitbenchmarking-1.2.0/fitbenchmarking/controllers/paramonte_controller.py +102 -0
  28. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/ralfit_controller.py +78 -42
  29. fitbenchmarking-1.2.0/fitbenchmarking/controllers/scipy_controller.py +159 -0
  30. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/scipy_go_controller.py +42 -36
  31. fitbenchmarking-1.2.0/fitbenchmarking/controllers/scipy_leastsq_controller.py +85 -0
  32. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/scipy_ls_controller.py +36 -26
  33. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/theseus_controller.py +66 -53
  34. fitbenchmarking-1.2.0/fitbenchmarking/core/fitting_benchmarking.py +627 -0
  35. fitbenchmarking-1.2.0/fitbenchmarking/core/results_output.py +837 -0
  36. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cost_func/base_cost_func.py +7 -4
  37. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cost_func/cost_func_factory.py +17 -9
  38. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cost_func/hellinger_nlls_cost_func.py +16 -9
  39. fitbenchmarking-1.2.0/fitbenchmarking/cost_func/loglike_nlls_cost_func.py +115 -0
  40. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cost_func/nlls_base_cost_func.py +4 -2
  41. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cost_func/nlls_cost_func.py +7 -4
  42. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cost_func/poisson_cost_func.py +19 -10
  43. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/cost_func/weighted_nlls_cost_func.py +13 -5
  44. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/hessian/analytic_hessian.py +4 -2
  45. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/hessian/base_hessian.py +3 -1
  46. fitbenchmarking-1.2.0/fitbenchmarking/hessian/best_available_hessian.py +102 -0
  47. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/hessian/hessian_factory.py +17 -9
  48. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/hessian/numdifftools_hessian.py +3 -1
  49. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/hessian/scipy_hessian.py +21 -10
  50. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/jacobian/analytic_jacobian.py +28 -3
  51. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/jacobian/base_jacobian.py +3 -1
  52. fitbenchmarking-1.2.0/fitbenchmarking/jacobian/best_available_jacobian.py +93 -0
  53. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/jacobian/default_jacobian.py +1 -0
  54. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/jacobian/jacobian_factory.py +18 -10
  55. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/jacobian/numdifftools_jacobian.py +2 -2
  56. fitbenchmarking-1.2.0/fitbenchmarking/jacobian/scipy_jacobian.py +85 -0
  57. fitbenchmarking-1.2.0/fitbenchmarking/parsing/bal_parser.py +202 -0
  58. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/base_parser.py +4 -4
  59. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/fitbenchmark_parser.py +194 -109
  60. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/fitting_problem.py +74 -61
  61. fitbenchmarking-1.2.0/fitbenchmarking/parsing/hogben_parser.py +75 -0
  62. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/horace_parser.py +74 -55
  63. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/ivp_parser.py +15 -12
  64. fitbenchmarking-1.2.0/fitbenchmarking/parsing/mantid_parser.py +22 -0
  65. fitbenchmarking-1.2.0/fitbenchmarking/parsing/mantiddev_parser.py +240 -0
  66. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/nist_data_functions.py +58 -47
  67. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/nist_parser.py +79 -55
  68. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/parser_factory.py +38 -28
  69. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/parsing/sasview_parser.py +2 -2
  70. fitbenchmarking-1.2.0/fitbenchmarking/results_processing/acc_table.py +40 -0
  71. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/results_processing/base_table.py +294 -139
  72. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/results_processing/compare_table.py +73 -41
  73. fitbenchmarking-1.2.0/fitbenchmarking/results_processing/energy_usage_table.py +43 -0
  74. fitbenchmarking-1.2.0/fitbenchmarking/results_processing/fitting_report.py +152 -0
  75. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/results_processing/local_min_table.py +62 -46
  76. fitbenchmarking-1.2.0/fitbenchmarking/results_processing/performance_profiler.py +588 -0
  77. fitbenchmarking-1.2.0/fitbenchmarking/results_processing/plots.py +373 -0
  78. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/results_processing/problem_summary_page.py +72 -50
  79. fitbenchmarking-1.2.0/fitbenchmarking/results_processing/runtime_table.py +36 -0
  80. fitbenchmarking-1.2.0/fitbenchmarking/results_processing/tables.py +267 -0
  81. fitbenchmarking-1.2.0/fitbenchmarking/templates/css/custom_style.css +159 -0
  82. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/css/main_style.css +2 -2
  83. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/css/table_style.css +21 -2
  84. fitbenchmarking-1.2.0/fitbenchmarking/templates/fitting_report_template.html +158 -0
  85. fitbenchmarking-1.2.0/fitbenchmarking/templates/images/accuracy.png +0 -0
  86. fitbenchmarking-1.2.0/fitbenchmarking/templates/images/compare.png +0 -0
  87. fitbenchmarking-1.2.0/fitbenchmarking/templates/images/energy.png +0 -0
  88. fitbenchmarking-1.2.0/fitbenchmarking/templates/images/fitbenchmarking_logo.png +0 -0
  89. fitbenchmarking-1.2.0/fitbenchmarking/templates/images/local_min.png +0 -0
  90. fitbenchmarking-1.2.0/fitbenchmarking/templates/images/runtime.png +0 -0
  91. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/index_page.html +1 -0
  92. fitbenchmarking-1.2.0/fitbenchmarking/templates/js/plotly.js +8 -0
  93. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/table.js +79 -6
  94. fitbenchmarking-1.2.0/fitbenchmarking/templates/problem_index_page.html +62 -0
  95. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/problem_summary_page_template.html +86 -44
  96. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/table_template.html +57 -29
  97. fitbenchmarking-1.2.0/fitbenchmarking/utils/checkpoint.py +390 -0
  98. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/create_dirs.py +5 -3
  99. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/debug.py +11 -8
  100. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/exceptions.py +112 -47
  101. fitbenchmarking-1.2.0/fitbenchmarking/utils/fitbm_result.py +447 -0
  102. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/log.py +18 -11
  103. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/matlab_engine.py +6 -6
  104. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/misc.py +20 -16
  105. fitbenchmarking-1.2.0/fitbenchmarking/utils/options.py +912 -0
  106. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/output_grabber.py +15 -12
  107. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/timer.py +2 -0
  108. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/utils/write_files.py +12 -6
  109. fitbenchmarking-1.2.0/pyproject.toml +145 -0
  110. FitBenchmarking-1.0.0rc1/.codecarbon.config +0 -4
  111. FitBenchmarking-1.0.0rc1/.coveragerc +0 -29
  112. FitBenchmarking-1.0.0rc1/.github/ISSUE_TEMPLATE/bug_report.md +0 -21
  113. FitBenchmarking-1.0.0rc1/.github/ISSUE_TEMPLATE/documentation_request.md +0 -13
  114. FitBenchmarking-1.0.0rc1/.github/ISSUE_TEMPLATE/feature_request.md +0 -19
  115. FitBenchmarking-1.0.0rc1/.github/ISSUE_TEMPLATE/testing.md +0 -19
  116. FitBenchmarking-1.0.0rc1/.github/PULL_REQUEST_TEMPLATE.md +0 -18
  117. FitBenchmarking-1.0.0rc1/.github/workflows/main.yml +0 -167
  118. FitBenchmarking-1.0.0rc1/.github/workflows/nightly.yml +0 -32
  119. FitBenchmarking-1.0.0rc1/.github/workflows/release.yml +0 -28
  120. FitBenchmarking-1.0.0rc1/.idea/vcs.xml +0 -6
  121. FitBenchmarking-1.0.0rc1/.pylintrc +0 -65
  122. FitBenchmarking-1.0.0rc1/CITATION.cff +0 -99
  123. FitBenchmarking-1.0.0rc1/Docker/BasicInstall/Dockerfile +0 -32
  124. FitBenchmarking-1.0.0rc1/Docker/FullInstall/Dockerfile +0 -210
  125. FitBenchmarking-1.0.0rc1/FitBenchmarking.egg-info/PKG-INFO +0 -45
  126. FitBenchmarking-1.0.0rc1/FitBenchmarking.egg-info/SOURCES.txt +0 -944
  127. FitBenchmarking-1.0.0rc1/FitBenchmarking.egg-info/dependency_links.txt +0 -1
  128. FitBenchmarking-1.0.0rc1/FitBenchmarking.egg-info/entry_points.txt +0 -3
  129. FitBenchmarking-1.0.0rc1/FitBenchmarking.egg-info/not-zip-safe +0 -1
  130. FitBenchmarking-1.0.0rc1/FitBenchmarking.egg-info/requires.txt +0 -52
  131. FitBenchmarking-1.0.0rc1/FitBenchmarking.egg-info/top_level.txt +0 -1
  132. FitBenchmarking-1.0.0rc1/PKG-INFO +0 -45
  133. FitBenchmarking-1.0.0rc1/ci/linting_tests.sh +0 -14
  134. FitBenchmarking-1.0.0rc1/ci/prep_and_tag_release.sh +0 -75
  135. FitBenchmarking-1.0.0rc1/ci/system_tests.sh +0 -5
  136. FitBenchmarking-1.0.0rc1/ci/system_tests_default.sh +0 -5
  137. FitBenchmarking-1.0.0rc1/ci/unit_tests.sh +0 -17
  138. FitBenchmarking-1.0.0rc1/ci/unit_tests_default.sh +0 -14
  139. FitBenchmarking-1.0.0rc1/conftest.py +0 -42
  140. FitBenchmarking-1.0.0rc1/docs/Makefile +0 -20
  141. FitBenchmarking-1.0.0rc1/docs/README.md +0 -3
  142. FitBenchmarking-1.0.0rc1/docs/concept_figure/concept.ini +0 -35
  143. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/BENNETT5.SIF +0 -458
  144. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/CERI651A.SIF +0 -594
  145. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/ENGINX193749_calibration_peak5.txt +0 -7
  146. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/Muon_HIFI_116891.txt +0 -7
  147. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/WISH17701_peak2.txt +0 -7
  148. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/data_files/ENGINX193749_calibration_spec651.txt +0 -10188
  149. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/data_files/HIFIgrouped_116891.txt +0 -995
  150. FitBenchmarking-1.0.0rc1/docs/concept_figure/data/data_files/WISH17701_calibration_panel103_tube3.txt +0 -514
  151. FitBenchmarking-1.0.0rc1/docs/images/AppendingPath.png +0 -0
  152. FitBenchmarking-1.0.0rc1/docs/images/FitBenchmarkingConcept.png +0 -0
  153. FitBenchmarking-1.0.0rc1/docs/images/FitBenchmarking_options_table.png +0 -0
  154. FitBenchmarking-1.0.0rc1/docs/images/PathVariable.png +0 -0
  155. FitBenchmarking-1.0.0rc1/docs/images/example_cmaps.png +0 -0
  156. FitBenchmarking-1.0.0rc1/docs/images/example_plot.png +0 -0
  157. FitBenchmarking-1.0.0rc1/docs/images/example_pp.png +0 -0
  158. FitBenchmarking-1.0.0rc1/docs/images/example_table.png +0 -0
  159. FitBenchmarking-1.0.0rc1/docs/images/lm-scipy_fit_for_GEM_peak_1_1.png +0 -0
  160. FitBenchmarking-1.0.0rc1/docs/images/lmsder_fit_for_EVS14188-90_processed_Gaussian_peaks_1_1.png +0 -0
  161. FitBenchmarking-1.0.0rc1/docs/images/nmsimplex2_fit_for_EVS14188-90_processed_Gaussian_peaks_1_1.png +0 -0
  162. FitBenchmarking-1.0.0rc1/docs/images/recommended_perceptual_cmaps.png +0 -0
  163. FitBenchmarking-1.0.0rc1/docs/images/recommended_sequential_cmaps.png +0 -0
  164. FitBenchmarking-1.0.0rc1/docs/images/squash-and-merge.png +0 -0
  165. FitBenchmarking-1.0.0rc1/docs/images/start_for_EVS14188-90_processed_Gaussian_peaks_1_1.png +0 -0
  166. FitBenchmarking-1.0.0rc1/docs/make.bat +0 -36
  167. FitBenchmarking-1.0.0rc1/docs/requirements.txt +0 -3
  168. FitBenchmarking-1.0.0rc1/docs/source/_ext/algorithmcheckdocs.py +0 -77
  169. FitBenchmarking-1.0.0rc1/docs/source/_ext/prettyprintvalue.py +0 -49
  170. FitBenchmarking-1.0.0rc1/docs/source/_static/captions/Modified_AutoTranscript_FitBenchmarking_Tutorials-Choosing_your_options.vtt +0 -1148
  171. FitBenchmarking-1.0.0rc1/docs/source/_static/captions/Modified_AutoTranscript_FitBenchmarking_Tutorials-Interpreting_FitBenchmarking_results.vtt +0 -536
  172. FitBenchmarking-1.0.0rc1/docs/source/_static/captions/Modified_AutoTranscript_FitBenchmarking_Tutorials-Running_FitBenchmarking.vtt +0 -314
  173. FitBenchmarking-1.0.0rc1/docs/source/_static/videos/FitBenchmarking_Tutorials-Choosing_your_options.mp4 +0 -0
  174. FitBenchmarking-1.0.0rc1/docs/source/_static/videos/FitBenchmarking_Tutorials-Interpreting_FitBenchmarking_results.webm +0 -0
  175. FitBenchmarking-1.0.0rc1/docs/source/_static/videos/FitBenchmarking_Tutorials-Running_FitBenchmarking.webm +0 -0
  176. FitBenchmarking-1.0.0rc1/docs/source/concept/how.rst +0 -77
  177. FitBenchmarking-1.0.0rc1/docs/source/concept/index.rst +0 -14
  178. FitBenchmarking-1.0.0rc1/docs/source/concept/why.rst +0 -123
  179. FitBenchmarking-1.0.0rc1/docs/source/conf.py +0 -230
  180. FitBenchmarking-1.0.0rc1/docs/source/contributors/guidelines.rst +0 -54
  181. FitBenchmarking-1.0.0rc1/docs/source/contributors/index.rst +0 -20
  182. FitBenchmarking-1.0.0rc1/docs/source/contributors/install_instructions.rst +0 -39
  183. FitBenchmarking-1.0.0rc1/docs/source/contributors/structure.rst +0 -201
  184. FitBenchmarking-1.0.0rc1/docs/source/contributors/workflow.rst +0 -173
  185. FitBenchmarking-1.0.0rc1/docs/source/extending/adding_data.rst +0 -48
  186. FitBenchmarking-1.0.0rc1/docs/source/extending/controllers.rst +0 -117
  187. FitBenchmarking-1.0.0rc1/docs/source/extending/cost_function.rst +0 -71
  188. FitBenchmarking-1.0.0rc1/docs/source/extending/fitting_results.rst +0 -19
  189. FitBenchmarking-1.0.0rc1/docs/source/extending/hessian_extend.rst +0 -55
  190. FitBenchmarking-1.0.0rc1/docs/source/extending/index.rst +0 -20
  191. FitBenchmarking-1.0.0rc1/docs/source/extending/jacobian_extend.rst +0 -63
  192. FitBenchmarking-1.0.0rc1/docs/source/extending/options_extend.rst +0 -46
  193. FitBenchmarking-1.0.0rc1/docs/source/extending/outputs/index.rst +0 -15
  194. FitBenchmarking-1.0.0rc1/docs/source/extending/outputs/tables.rst +0 -47
  195. FitBenchmarking-1.0.0rc1/docs/source/extending/outputs/templates.rst +0 -35
  196. FitBenchmarking-1.0.0rc1/docs/source/extending/parsers.rst +0 -110
  197. FitBenchmarking-1.0.0rc1/docs/source/index.rst +0 -27
  198. FitBenchmarking-1.0.0rc1/docs/source/users/BenchmarkProblems.rst +0 -311
  199. FitBenchmarking-1.0.0rc1/docs/source/users/algorithms/deriv_free.rst +0 -40
  200. FitBenchmarking-1.0.0rc1/docs/source/users/algorithms/index.rst +0 -20
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  202. FitBenchmarking-1.0.0rc1/docs/source/users/algorithms/minimizer_types.rst +0 -60
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  379. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/ENGINX193749_calibration_peak6.txt +0 -7
  380. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/ENGINX236516_vanadium_bank1_10brk.txt +0 -7
  381. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/ENGINX236516_vanadium_bank1_20brk.txt +0 -7
  382. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/EVS14188-90_Gaussian_peaks_1.txt +0 -7
  383. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/EVS14188-90_Gaussian_peaks_2.txt +0 -7
  384. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/GEMpeak1.txt +0 -7
  385. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/META.txt +0 -3
  386. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak1.txt +0 -7
  387. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak2.txt +0 -7
  388. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak3.txt +0 -7
  389. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak4.txt +0 -7
  390. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak5.txt +0 -7
  391. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak6.txt +0 -8
  392. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak7.txt +0 -7
  393. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak8.txt +0 -7
  394. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/WISH17701_peak9.txt +0 -7
  395. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/data_files/ENGINX193749_calibration_spec651.txt +0 -10188
  396. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/data_files/ENGINX236516_vanadium_bank1.txt +0 -14170
  397. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/data_files/EVS14188-90_peaks.txt +0 -1027
  398. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/data_files/GEM63437_focused_bank3.txt +0 -2035
  399. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/data_files/WISH17701_calibration_panel103_tube3.txt +0 -514
  400. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/data_files/WISH17701_calibration_panel103_tube3_old.txt +0 -514
  401. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Neutron/data_files/WISH1770_calibration_tube3.txt +0 -83
  402. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/HIFI_160973_muon_count.txt +0 -6
  403. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/META.txt +0 -3
  404. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/data_files/HIFI_160973_muon_count.txt +0 -799
  405. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/data_files/HIFI_160973_muon_count_full.txt +0 -2041
  406. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/data_files/simulated_bumps.txt +0 -346
  407. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/data_files/simulated_mantid.txt +0 -2002
  408. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/simulated_bumps.txt +0 -7
  409. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/Poisson/simulated_mantid.txt +0 -6
  410. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/README.md +0 -18
  411. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_core_shell_parallelepiped_neutron_def0.txt +0 -7
  412. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_core_shell_parallelepiped_neutron_def1.txt +0 -7
  413. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_core_shell_parallelepiped_x-ray_def0.txt +0 -7
  414. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_core_shell_parallelepiped_x-ray_def1.txt +0 -7
  415. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_flexible_cylinder_elliptical_neutron_def0.txt +0 -7
  416. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_flexible_cylinder_elliptical_neutron_def1.txt +0 -7
  417. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_flexible_cylinder_elliptical_x-ray_def0.txt +0 -7
  418. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_flexible_cylinder_elliptical_x-ray_def1.txt +0 -7
  419. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_parallelepiped_neutron_def0.txt +0 -7
  420. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_parallelepiped_neutron_def1.txt +0 -7
  421. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_parallelepiped_x-ray_def0.txt +0 -7
  422. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_parallelepiped_x-ray_def1.txt +0 -7
  423. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_triaxial_ellipsoid_neutron_def0.txt +0 -7
  424. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_triaxial_ellipsoid_neutron_def1.txt +0 -7
  425. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_triaxial_ellipsoid_x-ray_def0.txt +0 -7
  426. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/1D_triaxial_ellipsoid_x-ray_def1.txt +0 -7
  427. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/META.txt +0 -14
  428. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_core_shell_parallelepiped_35_75_400_10_10_10_nosmearing.txt +0 -256
  429. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_core_shell_parallelepiped_35_75_400_10_10_10_nosmearing_neutron_synth.png +0 -0
  430. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_core_shell_parallelepiped_35_75_400_10_10_10_nosmearing_neutron_synth.txt +0 -256
  431. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_core_shell_parallelepiped_35_75_400_10_10_10_nosmearing_xray_synth.png +0 -0
  432. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_core_shell_parallelepiped_35_75_400_10_10_10_nosmearing_xray_synth.txt +0 -256
  433. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_flexible_cylinder_elliptical_1000_100_20_nosmearing.txt +0 -256
  434. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_flexible_cylinder_elliptical_1000_100_20_nosmearing_neutron_synth.png +0 -0
  435. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_flexible_cylinder_elliptical_1000_100_20_nosmearing_neutron_synth.txt +0 -256
  436. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_flexible_cylinder_elliptical_1000_100_20_nosmearing_xray_synth.png +0 -0
  437. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_flexible_cylinder_elliptical_1000_100_20_nosmearing_xray_synth.txt +0 -256
  438. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_parallelepiped_35_75_400_nosmearing.txt +0 -256
  439. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_parallelepiped_35_75_400_nosmearing_neutron_synth.png +0 -0
  440. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_parallelepiped_35_75_400_nosmearing_neutron_synth.txt +0 -256
  441. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_parallelepiped_35_75_400_nosmearing_xray_synth.png +0 -0
  442. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_parallelepiped_35_75_400_nosmearing_xray_synth.txt +0 -256
  443. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_triaxial_ellipsoid_20_400_10.txt +0 -256
  444. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_triaxial_ellipsoid_20_400_10_neutron_synth.png +0 -0
  445. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_triaxial_ellipsoid_20_400_10_neutron_synth.txt +0 -256
  446. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_triaxial_ellipsoid_20_400_10_xray_synth.png +0 -0
  447. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Complex_Shapes_1D/data_files/1D_triaxial_ellipsoid_20_400_10_xray_synth.txt +0 -256
  448. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_cylinder_neutron_def0.txt +0 -7
  449. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_cylinder_neutron_def1.txt +0 -7
  450. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_cylinder_x-ray_def0.txt +0 -7
  451. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_cylinder_x-ray_def1.txt +0 -7
  452. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_ellipsoid_neutron_def0.txt +0 -7
  453. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_ellipsoid_neutron_def1.txt +0 -7
  454. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_ellipsoid_x-ray_def0.txt +0 -7
  455. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_ellipsoid_x-ray_def1.txt +0 -7
  456. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_sphere_neutron_def0.txt +0 -7
  457. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_sphere_neutron_def1.txt +0 -7
  458. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_sphere_x-ray_def0.txt +0 -7
  459. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_core_shell_sphere_x-ray_def1.txt +0 -7
  460. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_stacked_disks_neutron_def0.txt +0 -7
  461. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_stacked_disks_neutron_def1.txt +0 -7
  462. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_stacked_disks_x-ray_def0.txt +0 -7
  463. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/1D_stacked_disks_x-ray_def1.txt +0 -7
  464. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/META.txt +0 -14
  465. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_cylinder_20_20_400_nosmearing.txt +0 -256
  466. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_cylinder_20_20_400_nosmearing_neutron_synth.png +0 -0
  467. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_cylinder_20_20_400_nosmearing_neutron_synth.txt +0 -256
  468. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_cylinder_20_20_400_nosmearing_xray_synth.png +0 -0
  469. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_cylinder_20_20_400_nosmearing_xray_synth.txt +0 -256
  470. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_ellipsoid_20_3_30_1_nosmearing.txt +0 -256
  471. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_ellipsoid_20_3_30_1_nosmearing_neutron_synth.png +0 -0
  472. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_ellipsoid_20_3_30_1_nosmearing_neutron_synth.txt +0 -256
  473. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_ellipsoid_20_3_30_1_nosmearing_xray_synth.png +0 -0
  474. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_ellipsoid_20_3_30_1_nosmearing_xray_synth.txt +0 -256
  475. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_sphere_60_10_nosmearing.txt +0 -256
  476. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_sphere_60_10_nosmearing_neutron_synth.png +0 -0
  477. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_sphere_60_10_nosmearing_neutron_synth.txt +0 -256
  478. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_sphere_60_10_nosmearing_xray_synth.png +0 -0
  479. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_core_shell_sphere_60_10_nosmearing_xray_synth.txt +0 -256
  480. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_stacked_disks_10_10_15_1_nosmearing.txt +0 -256
  481. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_stacked_disks_10_10_15_1_nosmearing_neutron_synth.png +0 -0
  482. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_stacked_disks_10_10_15_1_nosmearing_neutron_synth.txt +0 -256
  483. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_stacked_disks_10_10_15_1_nosmearing_xray_synth.png +0 -0
  484. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Moderate_Shapes_1D/data_files/1D_stacked_disks_10_10_15_1_nosmearing_xray_synth.txt +0 -256
  485. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_broad_peak_neutron_def0.txt +0 -7
  486. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_broad_peak_neutron_def1.txt +0 -7
  487. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_broad_peak_x-ray_def0.txt +0 -7
  488. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_broad_peak_x-ray_def1.txt +0 -7
  489. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_dab_neutron_def0.txt +0 -7
  490. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_dab_neutron_def1.txt +0 -7
  491. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_dab_x-ray_def0.txt +0 -7
  492. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_dab_x-ray_def1.txt +0 -7
  493. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_line_neutron_def0.txt +0 -7
  494. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_line_neutron_def1.txt +0 -7
  495. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_line_x-ray_def0.txt +0 -7
  496. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_line_x-ray_def1.txt +0 -7
  497. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_lorentz_neutron_def0.txt +0 -7
  498. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_lorentz_neutron_def1.txt +0 -7
  499. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_lorentz_x-ray_def0.txt +0 -7
  500. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/1D_lorentz_x-ray_def1.txt +0 -7
  501. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/META.txt +0 -13
  502. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_broad_peak_1e-5_3_10_50_0.1_2.txt +0 -50
  503. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_broad_peak_1e-5_3_10_50_0.1_2_neutron_synth.png +0 -0
  504. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_broad_peak_1e-5_3_10_50_0.1_2_neutron_synth.txt +0 -50
  505. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_broad_peak_1e-5_3_10_50_0.1_2_xray_synth.png +0 -0
  506. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_broad_peak_1e-5_3_10_50_0.1_2_xray_synth.txt +0 -50
  507. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_dab_50_nosmearing.txt +0 -50
  508. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_dab_50_nosmearing_neutron_synth.png +0 -0
  509. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_dab_50_nosmearing_neutron_synth.txt +0 -50
  510. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_dab_50_nosmearing_xray_synth.png +0 -0
  511. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_dab_50_nosmearing_xray_synth.txt +0 -50
  512. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_line_1_1_nosmearing.txt +0 -51
  513. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_line_1_1_nosmearing_neutron_synth.png +0 -0
  514. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_line_1_1_nosmearing_neutron_synth.txt +0 -51
  515. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_line_1_1_nosmearing_xray_synth.png +0 -0
  516. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_line_1_1_nosmearing_xray_synth.txt +0 -51
  517. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_lorentz_50_nosmearing.txt +0 -50
  518. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_lorentz_50_nosmearing_neutron_synth.png +0 -0
  519. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_lorentz_50_nosmearing_neutron_synth.txt +0 -50
  520. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_lorentz_50_nosmearing_xray_synth.png +0 -0
  521. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Shape_Independent_1D/data_files/1D_lorentz_50_nosmearing_xray_synth.txt +0 -50
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  524. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/1D_cylinder_x-ray_def0.txt +0 -7
  525. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/1D_cylinder_x-ray_def1.txt +0 -7
  526. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/1D_ellipsoid_neutron_def0.txt +0 -7
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  538. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_cylinder_20_400_nosmearing_xray_synth.png +0 -0
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  540. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_ellipsoid_20_400_nosmearing.txt +0 -256
  541. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_ellipsoid_20_400_nosmearing_neutron_synth.png +0 -0
  542. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_ellipsoid_20_400_nosmearing_neutron_synth.txt +0 -256
  543. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_ellipsoid_20_400_nosmearing_xray_synth.png +0 -0
  544. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_ellipsoid_20_400_nosmearing_xray_synth.txt +0 -256
  545. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_sphere_50_nosmearing.txt +0 -256
  546. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_sphere_50_nosmearing_neutron_synth.png +0 -0
  547. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_sphere_50_nosmearing_neutron_synth.txt +0 -256
  548. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SAS_modelling/SASView_Simple_Shapes_1D/data_files/1D_sphere_50_nosmearing_xray_synth.png +0 -0
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  573. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SIF/MGH17.SIF +0 -209
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  589. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/SIF_GO/RAT42.SIF +0 -173
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  596. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/scripts/experimental_xray_sas/100 nm Polystyrene NPs in Water.dat +0 -508
  597. FitBenchmarking-1.0.0rc1/examples/benchmark_problems/scripts/experimental_xray_sas/200 nm Polystyrene NPs in Water.dat +0 -508
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  844. FitBenchmarking-1.0.0rc1/fitbenchmarking/utils/tests/test_write_files.py +0 -73
  845. FitBenchmarking-1.0.0rc1/paper/figures/FitBenchmarkingConcept.png +0 -0
  846. FitBenchmarking-1.0.0rc1/paper/figures/nmsimplex2_fit_for_EVS14188-90_processed_Gaussian_peaks_1_1.png +0 -0
  847. FitBenchmarking-1.0.0rc1/paper/paper.bib +0 -114
  848. FitBenchmarking-1.0.0rc1/paper/paper.md +0 -114
  849. FitBenchmarking-1.0.0rc1/requirements.txt +0 -8
  850. FitBenchmarking-1.0.0rc1/setup.cfg +0 -4
  851. FitBenchmarking-1.0.0rc1/setup.py +0 -58
  852. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/LICENSE.txt +0 -0
  853. {FitBenchmarking-1.0.0rc1/examples/benchmark_problems → fitbenchmarking-1.2.0/fitbenchmarking}/__init__.py +0 -0
  854. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/ENSO.dat +0 -0
  855. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/average_difficulty}/Gauss3.dat +0 -0
  856. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/Hahn1.dat +0 -0
  857. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/Kirby2.dat +0 -0
  858. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/Lanczos1.dat +0 -0
  859. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/average_difficulty}/Lanczos2.dat +0 -0
  860. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/META.txt +0 -0
  861. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/MGH17.dat +0 -0
  862. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/Misra1c.dat +0 -0
  863. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/Misra1d.dat +0 -0
  864. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/ENSO.hes +0 -0
  865. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/data_files/ENSO.jac +0 -0
  866. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/Gauss3.hes +0 -0
  867. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/average_difficulty}/data_files/Gauss3.jac +0 -0
  868. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/Hahn1.hes +0 -0
  869. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/data_files/Hahn1.jac +0 -0
  870. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/Kirby2.hes +0 -0
  871. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/data_files/Kirby2.jac +0 -0
  872. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/Lanczos1.hes +0 -0
  873. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/data_files/Lanczos1.jac +0 -0
  874. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/Lanczos2.hes +0 -0
  875. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/average_difficulty}/data_files/Lanczos2.jac +0 -0
  876. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/MGH17.hes +0 -0
  877. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/data_files/MGH17.jac +0 -0
  878. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/Misra1c.hes +0 -0
  879. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/data_files/Misra1c.jac +0 -0
  880. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/average_difficulty/data_files/Misra1d.hes +0 -0
  881. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/average_difficulty/data_files/Misra1d.jac +0 -0
  882. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/Bennett5.dat +0 -0
  883. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/high_difficulty}/BoxBOD.dat +0 -0
  884. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/Eckerle4.dat +0 -0
  885. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/META.txt +0 -0
  886. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/MGH09.dat +0 -0
  887. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/MGH10.dat +0 -0
  888. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/Rat42.dat +0 -0
  889. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/Rat43.dat +0 -0
  890. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/high_difficulty}/Thurber.dat +0 -0
  891. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/Bennett5.hes +0 -0
  892. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/data_files/Bennett5.jac +0 -0
  893. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/BoxBOD.hes +0 -0
  894. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/high_difficulty}/data_files/BoxBOD.jac +0 -0
  895. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/Eckerle4.hes +0 -0
  896. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/data_files/Eckerle4.jac +0 -0
  897. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/MGH09.hes +0 -0
  898. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/data_files/MGH09.jac +0 -0
  899. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/MGH10.hes +0 -0
  900. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/data_files/MGH10.jac +0 -0
  901. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/Rat42.hes +0 -0
  902. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/data_files/Rat42.jac +0 -0
  903. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/Rat43.hes +0 -0
  904. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/high_difficulty/data_files/Rat43.jac +0 -0
  905. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/high_difficulty/data_files/Thurber.hes +0 -0
  906. {FitBenchmarking-1.0.0rc1/docs/concept_figure/data → fitbenchmarking-1.2.0/fitbenchmarking/benchmark_problems/NIST/high_difficulty}/data_files/Thurber.jac +0 -0
  907. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/Chwirut1.dat +0 -0
  908. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/Chwirut2.dat +0 -0
  909. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/DanWood.dat +0 -0
  910. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/Gauss1.dat +0 -0
  911. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/Gauss2.dat +0 -0
  912. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/Lanczos3.dat +0 -0
  913. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/META.txt +0 -0
  914. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/Misra1a.dat +0 -0
  915. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/Misra1b.dat +0 -0
  916. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/Chwirut1.hes +0 -0
  917. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/Chwirut1.jac +0 -0
  918. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/Chwirut2.hes +0 -0
  919. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/Chwirut2.jac +0 -0
  920. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/DanWood.hes +0 -0
  921. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/DanWood.jac +0 -0
  922. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/Gauss1.hes +0 -0
  923. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/Gauss1.jac +0 -0
  924. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/Gauss2.hes +0 -0
  925. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/Gauss2.jac +0 -0
  926. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/Lanczos3.hes +0 -0
  927. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/Lanczos3.jac +0 -0
  928. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/Misra1a.hes +0 -0
  929. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/Misra1a.jac +0 -0
  930. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/benchmark_problems/NIST/low_difficulty/data_files/Misra1b.hes +0 -0
  931. {FitBenchmarking-1.0.0rc1/examples → fitbenchmarking-1.2.0/fitbenchmarking}/benchmark_problems/NIST/low_difficulty/data_files/Misra1b.jac +0 -0
  932. {FitBenchmarking-1.0.0rc1/examples/benchmark_problems/scripts → fitbenchmarking-1.2.0/fitbenchmarking/cli}/__init__.py +0 -0
  933. {FitBenchmarking-1.0.0rc1/fitbenchmarking → fitbenchmarking-1.2.0/fitbenchmarking/controllers}/__init__.py +0 -0
  934. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/controllers/matlab_curve_controller/eval_r.m +0 -0
  935. {FitBenchmarking-1.0.0rc1/fitbenchmarking/cli → fitbenchmarking-1.2.0/fitbenchmarking/core}/__init__.py +0 -0
  936. {FitBenchmarking-1.0.0rc1/fitbenchmarking/cli/tests → fitbenchmarking-1.2.0/fitbenchmarking/cost_func}/__init__.py +0 -0
  937. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-Bold.eot +0 -0
  938. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-BoldItalic.eot +0 -0
  939. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-Italic.eot +0 -0
  940. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-Light.eot +0 -0
  941. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-LightItalic.eot +0 -0
  942. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-Medium.eot +0 -0
  943. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-MediumItalic.eot +0 -0
  944. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/eot/FiraSans-Regular.eot +0 -0
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  962. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/woff2/FiraSans-BoldItalic.woff2 +0 -0
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  966. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FiraSans/woff2/FiraSans-Medium.woff2 +0 -0
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  971. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FontAwesome/fontawesome-webfont.ttf +0 -0
  972. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FontAwesome/fontawesome-webfont.woff +0 -0
  973. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/fonts/FontAwesome/fontawesome-webfont.woff2 +0 -0
  974. {FitBenchmarking-1.0.0rc1/fitbenchmarking/controllers → fitbenchmarking-1.2.0/fitbenchmarking/hessian}/__init__.py +0 -0
  975. {FitBenchmarking-1.0.0rc1/fitbenchmarking/controllers/tests → fitbenchmarking-1.2.0/fitbenchmarking/jacobian}/__init__.py +0 -0
  976. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/jacobian/scripts/NIST-Jacobians.nb +0 -0
  977. {FitBenchmarking-1.0.0rc1/fitbenchmarking/core → fitbenchmarking-1.2.0/fitbenchmarking/parsing}/__init__.py +0 -0
  978. {FitBenchmarking-1.0.0rc1/fitbenchmarking/core/tests → fitbenchmarking-1.2.0/fitbenchmarking/results_processing}/__init__.py +0 -0
  979. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/css/dropdown_style.css +0 -0
  980. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/css/math_style.css +0 -0
  981. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/dropdown.js +0 -0
  982. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/output/chtml/fonts/woff-v2/MathJax_Main-Regular.woff +0 -0
  983. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/output/chtml/fonts/woff-v2/MathJax_Math-Italic.woff +0 -0
  984. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/output/chtml/fonts/woff-v2/MathJax_Size2-Regular.woff +0 -0
  985. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/output/chtml/fonts/woff-v2/MathJax_Size3-Regular.woff +0 -0
  986. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/output/chtml/fonts/woff-v2/MathJax_Zero.woff +0 -0
  987. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/js/tex-mml-chtml.js +0 -0
  988. {FitBenchmarking-1.0.0rc1 → fitbenchmarking-1.2.0}/fitbenchmarking/templates/style_sheet.py +0 -0
  989. {FitBenchmarking-1.0.0rc1/fitbenchmarking/cost_func → fitbenchmarking-1.2.0/fitbenchmarking/utils}/__init__.py +0 -0
@@ -4,10 +4,14 @@ logs/
4
4
  .idea/
5
5
  build/build.log
6
6
  FitBenchmarking.egg-info/
7
- build/lib/build/
7
+ build/lib/
8
8
  dist/
9
9
  docs/build
10
10
  docs/source/_build
11
11
  docs/source/contributors/module_index
12
12
  *.log
13
- *.DS_Store
13
+ *.DS_Store
14
+ .vscode/
15
+ .eggs/
16
+ *.out
17
+ powermetrics_log.txt
@@ -0,0 +1,92 @@
1
+ Metadata-Version: 2.3
2
+ Name: FitBenchmarking
3
+ Version: 1.2.0
4
+ Summary: FitBenchmarking: A tool for comparing fitting software
5
+ Project-URL: Homepage, https://fitbenchmarking.github.io
6
+ Project-URL: Documentation, https://fitbenchmarking.readthedocs.io/en/stable
7
+ Project-URL: Repository, https://github.com/fitbenchmarking/fitbenchmarking
8
+ Project-URL: Release Notes, https://github.com/fitbenchmarking/fitbenchmarking/releases
9
+ Project-URL: Issues, https://github.com/fitbenchmarking/fitbenchmarking/issues
10
+ Author: FitBenchmarkign Team
11
+ Keywords: benchmark,comparison,fitting,least squares,optimisation
12
+ Classifier: License :: OSI Approved :: BSD License
13
+ Classifier: Operating System :: OS Independent
14
+ Classifier: Programming Language :: Python :: 3
15
+ Requires-Python: >=3.9.1
16
+ Requires-Dist: codecarbon<2.7,>=2.5.1
17
+ Requires-Dist: configparser
18
+ Requires-Dist: dash
19
+ Requires-Dist: docutils
20
+ Requires-Dist: jinja2
21
+ Requires-Dist: lxml
22
+ Requires-Dist: matplotlib>=2.0
23
+ Requires-Dist: numpy
24
+ Requires-Dist: pandas>=1.3
25
+ Requires-Dist: plotly>=5.0.0
26
+ Requires-Dist: scipy>=0.18
27
+ Requires-Dist: tqdm>=4.60
28
+ Provides-Extra: bumps
29
+ Requires-Dist: bumps>=0.9.0; extra == 'bumps'
30
+ Provides-Extra: dev
31
+ Requires-Dist: coverage[toml]>=6.3; extra == 'dev'
32
+ Requires-Dist: coveralls; extra == 'dev'
33
+ Requires-Dist: iminuit>=2.25.2; extra == 'dev'
34
+ Requires-Dist: pandas; extra == 'dev'
35
+ Requires-Dist: parameterized; extra == 'dev'
36
+ Requires-Dist: pre-commit; extra == 'dev'
37
+ Requires-Dist: pytest; extra == 'dev'
38
+ Requires-Dist: pytest-cov>=4.0.0; extra == 'dev'
39
+ Requires-Dist: ruff; extra == 'dev'
40
+ Provides-Extra: dfo
41
+ Requires-Dist: dfo-ls; extra == 'dfo'
42
+ Provides-Extra: gofit
43
+ Requires-Dist: gofit; extra == 'gofit'
44
+ Provides-Extra: gradient-free
45
+ Requires-Dist: gradient-free-optimizers; extra == 'gradient-free'
46
+ Provides-Extra: hogben
47
+ Requires-Dist: hogben; extra == 'hogben'
48
+ Provides-Extra: levmar
49
+ Requires-Dist: levmar; extra == 'levmar'
50
+ Provides-Extra: lmfit
51
+ Requires-Dist: emcee>=3.1.0; extra == 'lmfit'
52
+ Requires-Dist: lmfit; extra == 'lmfit'
53
+ Provides-Extra: mantid
54
+ Requires-Dist: h5py<3,>=2.10.0; extra == 'mantid'
55
+ Requires-Dist: pyyaml>=5.4.1; extra == 'mantid'
56
+ Provides-Extra: matlab
57
+ Requires-Dist: dill; extra == 'matlab'
58
+ Provides-Extra: minuit
59
+ Requires-Dist: iminuit>=2.0; extra == 'minuit'
60
+ Provides-Extra: nlopt
61
+ Requires-Dist: nlopt; extra == 'nlopt'
62
+ Provides-Extra: numdifftools
63
+ Requires-Dist: numdifftools; extra == 'numdifftools'
64
+ Provides-Extra: paramonte
65
+ Requires-Dist: paramonte; extra == 'paramonte'
66
+ Provides-Extra: sas
67
+ Requires-Dist: sasmodels; extra == 'sas'
68
+ Requires-Dist: tinycc; (platform_system == 'Windows') and extra == 'sas'
69
+ Description-Content-Type: text/markdown
70
+
71
+ [![Build Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/release.yml?style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/release.yml?query=branch%3Av1.2.0)
72
+ [![Tests Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/main.yml?label=tests&style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/main.yml?query=branch%3Av1.2.0)
73
+ [![Install Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/install.yml?label=install&style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/install.yml)
74
+ [![Documentation Status](https://img.shields.io/readthedocs/fitbenchmarking/v1.2.0?style=flat-square)](https://fitbenchmarking.readthedocs.io/en/v1.2.0)
75
+ [![Coverage Status](https://img.shields.io/coveralls/github/fitbenchmarking/fitbenchmarking.svg?style=flat-square)](https://coveralls.io/github/fitbenchmarking/fitbenchmarking)
76
+ [![Chat](https://img.shields.io/badge/chat-CompareFitMinimizers-lightgrey.svg?style=flat-square&logo=slack)](https://slack.com/)
77
+ [![Zenodo](https://img.shields.io/badge/Zenodo-10.5281/zenodo.11198140-blue.svg?style=flat-square)](https://doi.org/10.5281/zenodo.11198140)
78
+ [![JOSS](https://img.shields.io/badge/JOSS-10.21105/joss.03127-brightgreen.svg?style=flat-square)](https://doi.org/10.21105/joss.03127)
79
+ # FitBenchmarking
80
+
81
+ FitBenchmarking is an open source tool for comparing different minimizers/fitting frameworks. FitBenchmarking is cross platform and we support Windows, Linux and Mac OS. For questions, feature requests or any other inquiries, please open an issue on GitHub.
82
+
83
+ - **Installation Instructions:** https://fitbenchmarking.readthedocs.io/en/v1.2.0/users/install_instructions/index.html
84
+ - **User Documentation & Example Usage:** https://fitbenchmarking.readthedocs.io/en/v1.2.0/users/index.html
85
+ - **Community Guidelines:** https://fitbenchmarking.readthedocs.io/en/v1.2.0/contributors/guidelines.html
86
+ - **Automated Tests:** Run via GitHub Actions, https://github.com/fitbenchmarking/fitbenchmarking/actions, and tests are documented at https://fitbenchmarking.readthedocs.io/en/v1.2.0/users/tests.html
87
+
88
+ The package is the result of a collaboration between STFC’s Scientific Computing Department and ISIS Neutron and Muon Facility and the Diamond Light Source. We also would like to acknowledge support from:
89
+
90
+ * EU SINE2020 WP-10, which received funding from the European Union’s Horizon2020 research and innovation programme under grant agreement No 654000.
91
+ * EPSRC Grant EP/M025179/1 Least Squares: Fit for the Future.
92
+ * The Ada Lovelace Centre (ALC). ALC is an integrated, cross-disciplinary data intensive science centre, for better exploitation of research carried out at our large scale National Facilities including the Diamond Light Source (DLS), the ISIS Neutron and Muon Facility, the Central Laser Facility (CLF) and the Culham Centre for Fusion Energy (CCFE).
@@ -1,18 +1,19 @@
1
- [![Build Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/release.yml?style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/release.yml?query=branch%3Av1.0.0-rc1)
2
- [![Tests Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/main.yml?label=tests&style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/main.yml?query=branch%3Av1.0.0-rc1)
3
- [![Documentation Status](https://img.shields.io/readthedocs/fitbenchmarking/v1.0.0-rc1?style=flat-square)](https://fitbenchmarking.readthedocs.io/en/v1.0.0-rc1)
1
+ [![Build Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/release.yml?style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/release.yml?query=branch%3Av1.2.0)
2
+ [![Tests Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/main.yml?label=tests&style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/main.yml?query=branch%3Av1.2.0)
3
+ [![Install Status](https://img.shields.io/github/actions/workflow/status/fitbenchmarking/fitbenchmarking/install.yml?label=install&style=flat-square)](https://github.com/fitbenchmarking/fitbenchmarking/actions/workflows/install.yml)
4
+ [![Documentation Status](https://img.shields.io/readthedocs/fitbenchmarking/v1.2.0?style=flat-square)](https://fitbenchmarking.readthedocs.io/en/v1.2.0)
4
5
  [![Coverage Status](https://img.shields.io/coveralls/github/fitbenchmarking/fitbenchmarking.svg?style=flat-square)](https://coveralls.io/github/fitbenchmarking/fitbenchmarking)
5
6
  [![Chat](https://img.shields.io/badge/chat-CompareFitMinimizers-lightgrey.svg?style=flat-square&logo=slack)](https://slack.com/)
6
- [![Zenodo](https://img.shields.io/badge/Zenodo-10.5281/zenodo.6597790-blue.svg?style=flat-square)](https://doi.org/10.5281/zenodo.6597790)
7
+ [![Zenodo](https://img.shields.io/badge/Zenodo-10.5281/zenodo.11198140-blue.svg?style=flat-square)](https://doi.org/10.5281/zenodo.11198140)
7
8
  [![JOSS](https://img.shields.io/badge/JOSS-10.21105/joss.03127-brightgreen.svg?style=flat-square)](https://doi.org/10.21105/joss.03127)
8
9
  # FitBenchmarking
9
10
 
10
- FitBenchmarking is an open source tool for comparing different minimizers/fitting frameworks. FitBenchmarking is cross platform and we support Windows, Linux and Mac OS. For questions, feature requests or any other inquiries, please open an issue on GitHub, or send us an e-mail at support@fitbenchmarking.com.
11
+ FitBenchmarking is an open source tool for comparing different minimizers/fitting frameworks. FitBenchmarking is cross platform and we support Windows, Linux and Mac OS. For questions, feature requests or any other inquiries, please open an issue on GitHub.
11
12
 
12
- - **Installation Instructions:** https://fitbenchmarking.readthedocs.io/en/v1.0.0-rc1/users/install_instructions/index.html
13
- - **User Documentation & Example Usage:** https://fitbenchmarking.readthedocs.io/en/v1.0.0-rc1/users/index.html
14
- - **Community Guidelines:** https://fitbenchmarking.readthedocs.io/en/v1.0.0-rc1/contributors/guidelines.html
15
- - **Automated Tests:** Run via GitHub Actions, https://github.com/fitbenchmarking/fitbenchmarking/actions, and tests are documented at https://fitbenchmarking.readthedocs.io/en/v1.0.0-rc1/users/tests.html
13
+ - **Installation Instructions:** https://fitbenchmarking.readthedocs.io/en/v1.2.0/users/install_instructions/index.html
14
+ - **User Documentation & Example Usage:** https://fitbenchmarking.readthedocs.io/en/v1.2.0/users/index.html
15
+ - **Community Guidelines:** https://fitbenchmarking.readthedocs.io/en/v1.2.0/contributors/guidelines.html
16
+ - **Automated Tests:** Run via GitHub Actions, https://github.com/fitbenchmarking/fitbenchmarking/actions, and tests are documented at https://fitbenchmarking.readthedocs.io/en/v1.2.0/users/tests.html
16
17
 
17
18
  The package is the result of a collaboration between STFC’s Scientific Computing Department and ISIS Neutron and Muon Facility and the Diamond Light Source. We also would like to acknowledge support from:
18
19
 
@@ -2,7 +2,8 @@
2
2
  Main entry point for fitbenchmarking.
3
3
  This allows the package to be called on the command line.
4
4
  """
5
+
5
6
  from fitbenchmarking.cli.main import main
6
7
 
7
- if __name__ == '__main__':
8
+ if __name__ == "__main__":
8
9
  main()
@@ -0,0 +1,421 @@
1
+ """
2
+ This is a command line tool for handling checkpoint files for the
3
+ FitBenchmarking software package.
4
+ For more information on usage type fitbenchmarking --help
5
+ or for more general information, see the online docs at
6
+ docs.fitbenchmarking.com.
7
+ """
8
+
9
+ import json
10
+ import os
11
+ import sys
12
+ import textwrap
13
+ from argparse import ArgumentParser, RawDescriptionHelpFormatter
14
+
15
+ from fitbenchmarking.cli.exception_handler import exception_handler
16
+ from fitbenchmarking.core.results_output import (
17
+ create_index_page,
18
+ open_browser,
19
+ save_results,
20
+ )
21
+ from fitbenchmarking.utils.checkpoint import Checkpoint
22
+ from fitbenchmarking.utils.options import find_options_file
23
+
24
+
25
+ def get_parser() -> ArgumentParser:
26
+ """
27
+ Creates and returns a parser for the args.
28
+
29
+ :return: Configured argument parser
30
+ :rtype: ArgumentParser
31
+ """
32
+
33
+ description = (
34
+ "This is a tool for working with checkpoint files generated during a "
35
+ "FitBenchmarking run."
36
+ )
37
+
38
+ parser = ArgumentParser(
39
+ prog="fitbenchmarking-cp",
40
+ add_help=True,
41
+ description=description,
42
+ formatter_class=RawDescriptionHelpFormatter,
43
+ )
44
+ parser.add_argument(
45
+ "-d",
46
+ "--debug-mode",
47
+ default=False,
48
+ action="store_true",
49
+ help="Enable debug mode (prints traceback).",
50
+ )
51
+
52
+ subparsers = parser.add_subparsers(
53
+ metavar="ACTION",
54
+ dest="subprog",
55
+ help=(
56
+ "Which action should be performed? "
57
+ "For more information on options use "
58
+ "`fitbenchmarking-cp ACTION -h`"
59
+ ),
60
+ )
61
+
62
+ report_epilog = textwrap.dedent("""
63
+ Usage Examples:
64
+
65
+ $ fitbenchmarking-cp report
66
+ $ fitbenchmarking-cp report -o examples/options_template.ini
67
+ $ fitbenchmarking-cp report -f results/checkpoint
68
+ """)
69
+ report = subparsers.add_parser(
70
+ "report",
71
+ description="Generate a report from a checkpoint file",
72
+ help="Generate a report from a checkpoint file",
73
+ epilog=report_epilog,
74
+ )
75
+ report.add_argument(
76
+ "-f",
77
+ "--filename",
78
+ metavar="CHECKPOINT_FILE",
79
+ default="",
80
+ help=(
81
+ "The path to a fitbenchmarking checkpoint file. "
82
+ "If omitted, this will be taken from the options file."
83
+ ),
84
+ )
85
+ report.add_argument(
86
+ "-o",
87
+ "--options-file",
88
+ metavar="OPTIONS_FILE",
89
+ default="",
90
+ help="The path to a fitbenchmarking options file",
91
+ )
92
+
93
+ merge_epilog = textwrap.dedent("""
94
+ Usage Examples:
95
+
96
+ $ fitbenchmarking-cp merge -f old_results/checkpoint.json \
97
+ to_add/checkpoint.json
98
+ $ fitbenchmarking-cp merge -f cp1 cp2 cp3 cp4 -o \
99
+ new_results/checkpoint.json
100
+ """)
101
+ merge_parser = subparsers.add_parser(
102
+ "merge",
103
+ description="Merge multiple checkpoint files into one",
104
+ help="Merge multiple checkpoint files into one",
105
+ epilog=merge_epilog,
106
+ )
107
+ merge_parser.add_argument(
108
+ "-f",
109
+ "--files",
110
+ metavar="FILES",
111
+ nargs="+",
112
+ help="The checkpoint files to merge",
113
+ )
114
+ merge_parser.add_argument(
115
+ "-o",
116
+ "--output-filename",
117
+ metavar="OUTPUT",
118
+ default="checkpoint.json",
119
+ help="The name of the merged checkpoint file",
120
+ )
121
+ merge_parser.add_argument(
122
+ "-s",
123
+ "--strategy",
124
+ metavar="STRATEGY",
125
+ default="first",
126
+ choices=["first", "last", "accuracy", "runtime", "energy"],
127
+ help=(
128
+ "The merge strategy to use when dealing with conflicts. "
129
+ "Selecting accuracy, energy, or runtime will select for the "
130
+ "lowest from conflicting runs."
131
+ ),
132
+ )
133
+ return parser
134
+
135
+
136
+ @exception_handler
137
+ def generate_report(options_file="", additional_options=None, debug=False):
138
+ """
139
+ Generate the fitting reports and tables for a checkpoint file.
140
+
141
+ :param options_file: Path to an options file, defaults to ''
142
+ :type options_file: str, optional
143
+ :param additional_options: Extra options for the reporting.
144
+ Available keys are:
145
+ filename (str): The checkpoint file to use.
146
+ :type additional_options: dict, optional
147
+ """
148
+ if additional_options is None:
149
+ additional_options = {}
150
+
151
+ options = find_options_file(
152
+ options_file=options_file, additional_options=additional_options
153
+ )
154
+
155
+ checkpoint = Checkpoint(options=options)
156
+ results, unselected_minimizers, failed_problems, config = checkpoint.load()
157
+
158
+ all_dirs = []
159
+ pp_dfs_all_prob_sets = {}
160
+ for label in results:
161
+ directory, pp_dfs = save_results(
162
+ group_name=label,
163
+ results=results[label],
164
+ options=options,
165
+ failed_problems=failed_problems[label],
166
+ unselected_minimizers=unselected_minimizers[label],
167
+ config=config,
168
+ )
169
+
170
+ pp_dfs_all_prob_sets[label] = pp_dfs
171
+
172
+ directory = os.path.relpath(path=directory, start=options.results_dir)
173
+ all_dirs.append(directory)
174
+
175
+ index_page = create_index_page(options, list(results), all_dirs)
176
+ open_browser(index_page, options, pp_dfs_all_prob_sets)
177
+
178
+
179
+ @exception_handler
180
+ def merge_data_sets(
181
+ files: list[str],
182
+ output: str,
183
+ strategy: str = "first",
184
+ debug: bool = False,
185
+ ):
186
+ """
187
+ Combine multiple checkpoint files into one following these rules:
188
+ 1) The output will be the same as combining them one at a time in
189
+ sequence. i.e. A + B + C = (A + B) + C
190
+ The rules from here on will only reference A and B as the relation is
191
+ recursive.
192
+ 2) Datasets
193
+ 2a) Datasets in A and B are identical if they agree on the label
194
+ 2b) If A and B contain identical datasets, the problems and results
195
+ are combined as below.
196
+ The remainder of these rules assume that A and B are identical
197
+ datasets as the alternative is trivial.
198
+ 3) Problems
199
+ 3a) If problems in A and B agree on name, ini_params, ini_y, x, y,
200
+ and e then these problems are considered identical.
201
+ 3b) If A and B share identical problems, the details not specified in
202
+ 3a are taken from A.
203
+ 3c) If problems in A and B are not identical but share a name, the
204
+ name of the project in B should be updated to "<problem_name>*".
205
+ 4) Results
206
+ 4a) If results in A and B have identical problems and agree on name,
207
+ software_tag, minimizer_tag, jacobian_tag, hessian_tag, and
208
+ costfun_tag they are considered identical.
209
+ 4b) If A an B share identical results, the details not specified in 4a
210
+ are taken from A if strategy is 'first', or B if strategy is
211
+ 'last'.
212
+ 5) As tables are grids of results, combining arbitrary results can lead to
213
+ un-table-able checkpoint files.
214
+ This occurs when the problems in A and B are not all identical and the
215
+ set of combinations of software_tag, minimizer_tag, jacobian_tag,
216
+ hessian_tag, and costfun_tag for which there are results in each of A
217
+ and B are not identical.
218
+ E.g. B has a problem not in A and uses a minimizer for which there are
219
+ no results in A.
220
+ 5a) If the resulting checkpoint file would have the above issue, the
221
+ checkpoints are incompatible.
222
+ 5b) Incompatible checkpoint files can be combined but should raise
223
+ warnings and mark the dataset in the checkpoint file.
224
+ Note: Some datasets may be incompatible where others can be
225
+ successfully combined.
226
+ 6) Unselected minimizers and failed problems will be discarded when
227
+ combining.
228
+
229
+ :param files: The files to combine.
230
+ :type files: list[str]
231
+ :param output: The name for the new checkpoint file.
232
+ :type output: str
233
+ :param strategy: The stategy for merging identical elements.
234
+ Options are 'first' or 'last'.
235
+ :type strategy: str
236
+ :param debug: Enable debugging output.
237
+ :type debug: bool
238
+ """
239
+ if len(files) < 2:
240
+ return
241
+
242
+ print(f"Loading {files[0]}...")
243
+ with open(files[0], encoding="utf-8") as f:
244
+ A = json.load(f)
245
+ for to_merge in files[1:]:
246
+ print(f"Merging {to_merge}...")
247
+ with open(to_merge, encoding="utf-8") as f:
248
+ B = json.load(f)
249
+ A = merge(A, B, strategy=strategy)
250
+
251
+ print(f"Writing to {output}...")
252
+ with open(output, "w", encoding="utf-8") as f:
253
+ json.dump(A, f, indent=2)
254
+
255
+
256
+ def merge(A, B, strategy):
257
+ """
258
+ Merge the results from A and B
259
+ This function can corrupt A and B, they should be discarded after calling.
260
+
261
+ :param A: The first set of results to merge
262
+ :type A: dict[str, list[FittingResult]]
263
+ :param B: The set to merge into A
264
+ :type B: dict[str, list[FittingResult]]
265
+ :param strategy: The strategy to use to merge the results
266
+ :type strategy: str
267
+
268
+ :return: The merged checkpoint data.
269
+ :rtype: dict[str, any]
270
+ """
271
+ if strategy == "last":
272
+ A, B = B, A
273
+ for k in B:
274
+ if k not in A:
275
+ A[k] = B[k]
276
+ continue
277
+ A[k]["problems"], update_names = merge_problems(
278
+ A[k]["problems"], B[k]["problems"]
279
+ )
280
+ if update_names:
281
+ for r in B[k]["results"]:
282
+ if r["name"] in update_names:
283
+ r["name"] = update_names[r["name"]]
284
+ A[k]["results"] = merge_results(
285
+ A[k]["results"], B[k]["results"], strategy=strategy
286
+ )
287
+ A[k]["failed_problems"] = []
288
+ A[k]["unselected_minimisers"] = {
289
+ r["software_tag"]: [] for r in A[k]["results"]
290
+ }
291
+
292
+ return A
293
+
294
+
295
+ def merge_problems(A: dict[str, dict], B: dict[str, dict]):
296
+ """
297
+ Merge the problem sections of 2 checkpoint files.
298
+ If problems have matching names but different values, the problem from
299
+ B will be suffixed with a "*".
300
+
301
+ In some cases this could lead to problems with several "*"s although this
302
+ seems unlikely for most use cases.
303
+
304
+ :param A: The first checkpoint problems dict to merge
305
+ :type A: dict[str, dict]
306
+ :param B: The second checkpoint problems dict to merge
307
+ :type B: dict[str, dict]
308
+
309
+ :return: The merged checkpoint problems and a list of problems that have
310
+ been renamed
311
+ :rtype: tuple[dict[str, dict[str, any]], list[str]]
312
+ """
313
+ update_keys = {}
314
+ for k, prob in B.items():
315
+ # Handle case where A/B contains k, k*, k**, ... from previous merges
316
+ orig_k = k
317
+ k = k.rstrip("*")
318
+ prob["name"] = prob["name"].rstrip("*")
319
+ prob["problem_tag"] = prob["problem_tag"].rstrip("*")
320
+ while k in A:
321
+ A_prob = A[k]
322
+ # Identical - take problem from A
323
+ if (
324
+ A_prob["ini_params"] == prob["ini_params"]
325
+ and A_prob["ini_y"] == prob["ini_y"]
326
+ and A_prob["x"] == prob["x"]
327
+ and A_prob["y"] == prob["y"]
328
+ and A_prob["e"] == prob["e"]
329
+ ):
330
+ if orig_k != k:
331
+ update_keys[orig_k] = k
332
+ break
333
+
334
+ # Agree on name but aren't identical
335
+ name_change = "{}*"
336
+ k = name_change.format(k)
337
+ prob["name"] = name_change.format(prob["name"])
338
+ prob["problem_tag"] = name_change.format(prob["problem_tag"])
339
+
340
+ else: # k not in A (no break called)
341
+ A[k] = prob
342
+ if orig_k != k:
343
+ update_keys[orig_k] = k
344
+ continue
345
+
346
+ return A, update_keys
347
+
348
+
349
+ def merge_results(A: list[dict], B: list[dict], strategy: str):
350
+ """
351
+ Merge the results sections of 2 checkpoint files.
352
+
353
+ :param A: The first checkpoint results list to merge
354
+ :type A: list[dict[str, any]]
355
+ :param B: The second checkpoint results list to merge
356
+ :type B: list[dict[str, any]]
357
+ :param strategy: The merge strategy (which one to take in the case of
358
+ conflicts)
359
+ :type strategy: str
360
+
361
+ :return: Merged results list
362
+ :rtype: list[dict[str, any]]
363
+ """
364
+
365
+ def key_gen(k: dict):
366
+ """
367
+ Get a uid for a result entry in cp file.
368
+ """
369
+ return (
370
+ k["name"],
371
+ k["software_tag"],
372
+ k["minimizer_tag"],
373
+ k["jacobian_tag"],
374
+ k["hessian_tag"],
375
+ k["costfun_tag"],
376
+ )
377
+
378
+ A_key = {key_gen(r): i for i, r in enumerate(A)}
379
+
380
+ for res in B:
381
+ key = key_gen(res)
382
+ if key in A_key:
383
+ if (
384
+ strategy in ["accuracy", "energy", "runtime"]
385
+ and A[A_key[key]][strategy] > res[strategy]
386
+ ):
387
+ A[A_key[key]] = res
388
+ else:
389
+ A_key[key] = len(A)
390
+ A.append(res)
391
+
392
+ return A
393
+
394
+
395
+ def main():
396
+ """
397
+ Entry point exposed as the `fitbenchmarking-cp` command.
398
+ """
399
+ parser = get_parser()
400
+
401
+ args = parser.parse_args(sys.argv[1:])
402
+
403
+ additional_options = {}
404
+
405
+ if args.subprog == "report":
406
+ if args.filename:
407
+ additional_options["checkpoint_filename"] = args.filename
408
+ generate_report(
409
+ args.options_file, additional_options, debug=args.debug_mode
410
+ )
411
+ elif args.subprog == "merge":
412
+ merge_data_sets(
413
+ files=args.files,
414
+ output=args.output_filename,
415
+ strategy=args.strategy,
416
+ debug=args.debug_mode,
417
+ )
418
+
419
+
420
+ if __name__ == "__main__":
421
+ main()
@@ -3,8 +3,8 @@ This file holds an exception handler decorator that should wrap all cli
3
3
  functions to provide cleaner output.
4
4
  """
5
5
 
6
- from functools import wraps
7
6
  import sys
7
+ from functools import wraps
8
8
 
9
9
  from fitbenchmarking.utils import exceptions
10
10
  from fitbenchmarking.utils.log import get_logger
@@ -13,7 +13,6 @@ LOGGER = get_logger()
13
13
 
14
14
 
15
15
  def exception_handler(f):
16
- # pylint: disable=W0703
17
16
  """
18
17
  Decorator to simplify handling exceptions within FitBenchmarking
19
18
  This will strip off any 'debug' inputs.
@@ -21,16 +20,18 @@ def exception_handler(f):
21
20
  :param f: The function to wrap
22
21
  :type f: python function
23
22
  """
23
+
24
24
  @wraps(f)
25
25
  def wrapped(*args, **kwargs):
26
- debug = kwargs.get('debug', False)
26
+ debug = kwargs.get("debug", False)
27
27
 
28
28
  try:
29
29
  return f(*args, **kwargs)
30
30
  except exceptions.FitBenchmarkException as e:
31
-
32
- LOGGER.error('Error while running FitBenchmarking. Exiting. '
33
- 'See below for more information.')
31
+ LOGGER.error(
32
+ "Error while running FitBenchmarking. Exiting. "
33
+ "See below for more information."
34
+ )
34
35
  if debug:
35
36
  raise
36
37
 
@@ -38,7 +39,7 @@ def exception_handler(f):
38
39
  sys.exit(1)
39
40
 
40
41
  except Exception as e:
41
- LOGGER.error('Unknown exception. Exiting.')
42
+ LOGGER.error("Unknown exception. Exiting.")
42
43
  if debug:
43
44
  raise
44
45