Commit 742589a
authored
Improve joint-fit support and add parameter-evolution plotting (#130)
* Create and use load_numeric_block method in io/ascii.py
* Disable some rules for docs/
* Initial implementation of the new tutorial
* Add add_from_zip_path to Experiments collection
* Update data index hash
* Use data from web repo
* Use another dataset
* Save project after every fit
* Clean up
* Initial implementation of plotting parameter evolution
* Replace conditions category with diffrn using CIF naming
* Simplify extract_metadata API and make data loading explicit
* Fix fit_results to store snapshot parameters per experiment
* Clean up tutorial ed-17.py duplicate plot_param calls
* Fix test to use save_as() matching current ProjectInfo.path default
* Add integer index support to CollectionBase.__getitem__
* Rename plot_param to plot_param_series with versus descriptor
* Clean up tutorial
* Update docs with new notebook
* Simplify constraints API to single expression string
* Fix docstring lint errors in CollectionBase.__getitem__
* New dataset and update tutorials
* Update T-scan notebook
* Fix Windows CI UnicodeDecodeError in script test runner1 parent 4e71972 commit 742589a
46 files changed
Lines changed: 1799 additions & 208 deletions
File tree
- .github
- docs
- architecture
- docs
- tutorials
- user-guide/analysis-workflow
- src/easydiffraction
- analysis
- categories
- aliases
- constraints
- core
- datablocks/experiment
- categories/diffrn
- item
- display
- plotters
- io
- project
- utils
- tests
- integration/fitting
- unit/easydiffraction
- analysis/categories
- core
- project
- utils
- tools
Some content is hidden
Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
100 | 100 | | |
101 | 101 | | |
102 | 102 | | |
| 103 | + | |
| 104 | + | |
| 105 | + | |
| 106 | + | |
| 107 | + | |
| 108 | + | |
| 109 | + | |
103 | 110 | | |
104 | 111 | | |
105 | 112 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
727 | 727 | | |
728 | 728 | | |
729 | 729 | | |
| 730 | + | |
| 731 | + | |
| 732 | + | |
| 733 | + | |
| 734 | + | |
| 735 | + | |
730 | 736 | | |
731 | 737 | | |
732 | 738 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
396 | 396 | | |
397 | 397 | | |
398 | 398 | | |
399 | | - | |
| 399 | + | |
400 | 400 | | |
401 | 401 | | |
402 | 402 | | |
| |||
420 | 420 | | |
421 | 421 | | |
422 | 422 | | |
423 | | - | |
424 | | - | |
| 423 | + | |
| 424 | + | |
425 | 425 | | |
426 | | - | |
427 | | - | |
| 426 | + | |
| 427 | + | |
428 | 428 | | |
429 | 429 | | |
430 | 430 | | |
| |||
1485 | 1485 | | |
1486 | 1486 | | |
1487 | 1487 | | |
1488 | | - | |
1489 | | - | |
| 1488 | + | |
| 1489 | + | |
1490 | 1490 | | |
1491 | | - | |
1492 | | - | |
| 1491 | + | |
| 1492 | + | |
1493 | 1493 | | |
1494 | 1494 | | |
1495 | 1495 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
212 | 212 | | |
213 | 213 | | |
214 | 214 | | |
215 | | - | |
| 215 | + | |
216 | 216 | | |
217 | 217 | | |
218 | 218 | | |
219 | 219 | | |
220 | 220 | | |
221 | 221 | | |
222 | 222 | | |
223 | | - | |
224 | | - | |
| 223 | + | |
| 224 | + | |
225 | 225 | | |
226 | | - | |
227 | | - | |
| 226 | + | |
| 227 | + | |
228 | 228 | | |
229 | 229 | | |
230 | 230 | | |
| |||
804 | 804 | | |
805 | 805 | | |
806 | 806 | | |
807 | | - | |
808 | | - | |
| 807 | + | |
| 808 | + | |
809 | 809 | | |
810 | | - | |
811 | | - | |
| 810 | + | |
| 811 | + | |
812 | 812 | | |
813 | 813 | | |
814 | 814 | | |
| |||
0 commit comments