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2131 Commits

Author SHA1 Message Date
Vitesh Shah 5dddf792e1 pathlib can give name of the file directly 2023-04-20 10:52:08 +02:00
Vitesh Shah 029b830156 corrected the looping and target dir 2023-04-17 08:03:44 +02:00
Sharan Roongta 7b158f5ec4 Merge branch 'regrid-result' into 'development' 
regrid/map when exporting DADF5

See merge request damask/DAMASK!748
 2023-04-14 20:05:30 +00:00
Martin Diehl 29a968b3a8 support for pandas >= 2.0 2023-04-14 08:37:40 +02:00
Vitesh Shah 2ae1a20443 seems to read the data correctly 2023-04-06 21:42:34 +02:00
Vitesh Shah f619cf4ff2 making export DREAM3D compatible with results class 2023-04-06 20:56:42 +02:00
Martin Diehl 03768e14dc Grid loadcase 2023-03-27 17:33:11 +00:00
Martin Diehl d2e85ef15b regrid/map when exporting DADF5 2023-03-25 07:40:21 +01:00
Martin Diehl b11ad8c774 helpful information on strain calculation 2023-03-24 12:34:51 +01:00
Philip Eisenlohr 782a593bf2 separate import of vtk modules 
vtk is a collection of modules. Some are missing in some installations, so it is recommended to import only the functionality that is needed.
 2023-03-08 18:03:22 +00:00
Daniel Otto de Mentock ad39577ea4 improvements to docstrings (in `damask.Rotation`) 2023-03-02 18:46:00 +00:00
Philip Eisenlohr b15096c2f6 flexibility for non-standard ANG headers. 2023-02-28 15:35:31 +00:00
Sharan Roongta 95017b252f typo in example 2023-02-24 14:16:16 +01:00
Martin Diehl c40b446854 add keywords to signature of Orientation functions that inherit from Rotation 2023-02-23 18:49:08 +00:00
Philip Eisenlohr 06201da5e2 Improvements to Python docstrings 2023-02-21 15:27:06 +00:00
Philip Eisenlohr 6aa566760f shorter calculation of Seth–Hill strains 2023-02-20 14:42:31 -05:00
Philip Eisenlohr a335e2db6d Merge branch 'fix-ravel-docstring' into 'development' 
sphinx does not handle white spaces properly

See merge request damask/DAMASK!727
 2023-02-18 03:26:50 +00:00
Philip Eisenlohr 4485e1045c proper indication of transpose; polish 2023-02-16 15:12:10 -05:00
Martin Diehl e501e76d84 sphinx does not handle white spaces properly 2023-02-16 19:40:09 +01:00
Martin Diehl eefa2c29a2 more details 2023-02-16 19:32:15 +01:00
Philip Eisenlohr 61f2ae295b switch to physics macros 2023-02-16 11:59:19 -05:00
Martin Diehl 66b0b2e9dc using latex to improve documentation 2023-02-14 17:11:52 +01:00
Martin Diehl 4cd84ab8ce return was missing 2023-02-14 12:54:51 +01:00
Daniel Otto de Mentock 4ae3274ac4 Merge branch '250-configmaterial-material_add-simplifications' into 'development' 
several improvements to ConfigMaterial and Config

Closes #250

See merge request damask/DAMASK!714
 2023-02-06 16:52:14 +00:00
Martin Diehl a45a86cfbf mark DADF5 file layout as stable 2023-02-04 09:55:23 +01:00
Martin Diehl aa11e1aca3 easier to understand 2023-02-02 08:59:44 +01:00
Martin Diehl 6682f58f86 explicit arguments to guide the user 2023-02-02 08:38:50 +01:00
Martin Diehl 008d3cca6f limits hold for sum and individual 2023-02-02 08:35:46 +01:00
Martin Diehl 46ad436d76 check for invalid materialpoint configuration 2023-02-01 22:48:43 +01:00
Martin Diehl fd84406903 guide the user with explicit keywords 2023-02-01 15:03:30 +01:00
Martin Diehl 8895e7a36f more logical behavior 
explicit keywords are more important than existing one
 2023-02-01 14:59:00 +01:00
Martin Diehl ce6c86dd6d essentially same behavior as before, 
but better documentation, a few simplifications, and typehints
 2023-01-24 11:26:14 +01:00
Philip Eisenlohr 5edd001d4c Option to normalize rotation matrix 2023-01-16 23:53:49 +00:00
Sharan Roongta 214ee7b2f8 Merge branch 'material_add-no-kwargs' into 'development' 
kwargs flexibility not needed

See merge request damask/DAMASK!694
 2023-01-09 11:27:14 +00:00
Martin Diehl 93e05aed29 should always point to the most recent version 2023-01-08 20:46:07 +01:00
Martin Diehl cdaddf8e6f kwargs flexibility not needed 
the number of supported entries is rather limited, so guide the user
using explicit arguments
 2023-01-07 14:32:05 +01:00
Martin Diehl e658f3126b guide choice of strain measure that makes sense 2022-12-29 20:29:13 +01:00
Philip Eisenlohr 5d2d611898 Merge branch '238-tail_repack-behavior-and-use' into 'development' 
simplifications of Python code

Closes #238

See merge request damask/DAMASK!684
 2022-12-13 18:32:19 +00:00
Martin Diehl dcdc4acbd5 Unified object.comments as list[str]; simplifications of Python code 2022-12-13 18:32:19 +00:00
Martin Diehl 0e48f04d0f consistent naming 2022-12-11 16:09:54 +01:00
Daniel Otto de Mentock e03ad0db11 Improving grid.vicinity_offset performance optionally with numba 2022-12-10 07:22:22 +00:00
Daniel Otto de Mentock 8c6593985c Merge branch 'yaml-emit-numpy-scalar' into 'development' 
single elements of numpy arrays are not of native type

See merge request damask/DAMASK!681
 2022-12-08 12:03:54 +00:00
Daniel Otto de Mentock ba2062e4ed CSafeDumper is significantly faster and can be subclassed for custom extensions. 2022-12-06 20:17:23 +00:00
Sharan Roongta 4717536f1a Merge branch '241-same-quaternion-but-different-ipfs-calculated-by-damask-and-orix-python-package' into 'development' 
lower exponent gives smoother gradients

Closes #241

See merge request damask/DAMASK!675
 2022-12-06 14:15:35 +00:00
Philip Eisenlohr 7b8fce8db0 help polish 2022-12-05 18:29:03 -05:00
Martin Diehl ce2e0a01f5 single elements of numpy arrays are not of native type 2022-12-05 20:29:08 +01:00
Philip Eisenlohr 65cb9d5997 Merge branch 'development' into 228-unit-tests-for-spectral-functionality 2022-12-05 11:07:43 -05:00
Philip Eisenlohr f8ec873e54 == syntax consistency 2022-12-05 11:00:23 -05:00
Martin Diehl c7cb56fc18 lower exponent gives smoother gradients 2022-12-02 22:55:22 +01:00
Martin Diehl 18ad14708f stay consistent 2022-11-29 22:01:14 +01:00
Philip Eisenlohr 8ba9bb02c7 slight reduction of code doubling 2022-11-29 15:47:11 -05:00
Martin Diehl 741aeab1d3 Merge branch '235-docstring-of-orientation-from_axis_angle' into development 2022-11-29 06:06:31 +01:00
Martin Diehl d668f8a56d don't add empty strings 2022-11-28 20:05:39 +00:00
Daniel Otto de Mentock 8112f87d39 parameter names can contain underscores 2022-11-28 10:33:07 +01:00
Martin Diehl 39157b75b7 plane waves have known solutions 2022-11-27 16:53:53 +01:00
Martin Diehl 92ae86b636 Merge branch 'fix-mypy-no-implicit-optional' into 'development' 
PEP 484 compatibility (no-implicit-optional in mypy)

See merge request damask/DAMASK!664
 2022-11-25 21:25:33 +00:00
Martin Diehl 77be2c0d4c standard way to report 2022-11-25 07:00:15 +01:00
Martin Diehl e10f9fa299 not useful here 
not a general convention, is documented for the affected from_/as_
methods
 2022-11-25 01:25:36 +01:00
Martin Diehl eea0c4c44c return was missing 2022-11-24 10:15:23 +01:00
Philip Eisenlohr 6315f97f4a added explicit Optional type hint 2022-11-22 16:26:15 -05:00
Franz Roters 4a49523720 Merge branch 'mypy-etc-polish' into 'development' 
Collection of small polishing steps

See merge request damask/DAMASK!659
 2022-11-22 14:39:52 +00:00
Philip Eisenlohr cbe2e74cdd Collection of small polishing steps 2022-11-22 14:39:51 +00:00
Martin Diehl 815d825fac Merge branch 'material_add' into 'development' 
configMaterial functionality

See merge request damask/DAMASK!651
 2022-11-20 12:59:01 +00:00
Philip Eisenlohr 6907ca60b3 adjustments to make mypy happy 2022-11-19 20:55:23 -05:00
Daniel Otto de Mentock 5017aabcea util.extend_docstring: proper layout for extended class (incl. current return type) 2022-11-19 08:10:00 +00:00
Philip Eisenlohr 7e5a3a12ab proper dealing with default/mandatory items in material_add 2022-11-18 16:30:26 -05:00
Philip Eisenlohr d374f6a02c revert, since not working in python3.8... 2022-11-18 11:01:01 -05:00
Philip Eisenlohr 822a098659 cleaner way to specify default dict entries 2022-11-18 10:06:15 -05:00
Philip Eisenlohr ce4b373f9c Merge branch 'development' into '225-tolerate-non-unit-quaternion' 
# Conflicts:
#   python/damask/_rotation.py
 2022-11-18 00:48:45 +00:00
Philip Eisenlohr 87579dff11 extensive style polish; no functional changes 2022-11-17 18:39:32 -05:00
Martin Diehl 05974fb300 Merge branch 'polish-rotation-error-determination' into 'development' 
cleaner and more efficient determination of ValueErrors

See merge request damask/DAMASK!656
 2022-11-17 17:52:14 +00:00
Franz Roters bdd85a414c support for MSC.Marc 2022.2 2022-11-17 07:12:27 +00:00
Philip Eisenlohr 1f947245bb Merge branch 'development' into '225-tolerate-non-unit-quaternion' 
# Conflicts:
#   python/damask/_rotation.py
#   python/tests/test_Rotation.py
 2022-11-16 20:27:02 +00:00
Martin Diehl d887f0a9d8 better group if/if-elif cases 
one line if only when no elif follows to avoid confusion
 2022-11-16 21:13:13 +01:00
Philip Eisenlohr 25979fcd77 Merge branch 'development' into 'polish-rotation-error-determination' 
# Conflicts:
#   python/damask/_rotation.py
 2022-11-16 18:05:36 +00:00
Martin Diehl 5d656d9c76 Merge branch 'rotation-test-coverage' into 'development' 
increase test coverage to 100%

See merge request damask/DAMASK!655
 2022-11-16 14:31:43 +00:00
Philip Eisenlohr 740965df7c cleaner and more efficient determination of ValueErrors 2022-11-15 17:03:57 -05:00
Philip Eisenlohr 23d2337fb2 add option to normalize quaternions 2022-11-15 16:11:29 -05:00
Philip Eisenlohr 1dbf9ae9bc increase test coverage to 100% 2022-11-15 11:46:52 -05:00
Philip Eisenlohr 584d5b4213 Merge branch 'simplify-grid-scale' into 'development' 
less repetition

See merge request damask/DAMASK!654
 2022-11-15 14:44:53 +00:00
Philip Eisenlohr 045f1d39a1 add shorthand function for formatting 2022-11-14 14:52:07 -05:00
Philip Eisenlohr fa69a1876b unify X or list/seq/collection of X --> (A/B/C of) X in docstrings 2022-11-14 09:09:45 -05:00
Martin Diehl ba4ac5c108 less repetition 2022-11-14 12:42:13 +01:00
Philip Eisenlohr 2e7d59ab43 brief but comprehensive "is_complete" reporting 2022-11-11 18:07:48 -05:00
Sharan Roongta 4fc5ba54df dummy phase dict need to be added for any new material added (similar to dream3D) 2022-11-11 18:47:01 +01:00
Philip Eisenlohr 349a39609e Robust translation for view.times 2022-11-11 06:03:14 +00:00
Sharan 13df12be1b initialising dummy arguments with None, making few changes on what is_complete should do 2022-11-11 01:54:59 +01:00
Philip Eisenlohr 5c6d21e9cf only create subdir when dataset 2022-11-09 17:32:14 -05:00
Philip Eisenlohr 4f6a1720cc recursive list of setup files; no printing but PermissionError 2022-11-09 17:32:14 -05:00
Sharan Roongta 443d796643 phase and homogenization dict to be updated when new material added 2022-11-09 23:13:45 +01:00
Philip Eisenlohr 1a748ec5aa shorter function name; setup_files is property 2022-11-09 09:39:47 -05:00
Daniel Otto de Mentock 836feaa5f4 polishing 2022-11-09 12:48:48 +01:00
Daniel Otto de Mentock 1cdb7ef09f function to list available setup files can be useful 2022-11-09 12:48:37 +01:00
Daniel Otto de Mentock ce7d2af6e3 simulation setup export function naming and description was inaccurate 2022-11-09 12:47:47 +01:00
Philip Eisenlohr b5b861afdd Merge branch 'result-export-DADF5' into 'development' 
export to new DADF5 file

See merge request damask/DAMASK!644
 2022-11-08 19:01:48 +00:00
Martin Diehl 4f0db64e15 grid assemble + corrected grid.scale 2022-11-08 18:52:08 +00:00
Martin Diehl 59150b791f support the user 2022-11-08 12:39:38 +01:00
Philip Eisenlohr 868a4dda96 remove numpy where unnecessary 2022-11-07 14:56:38 -05:00
Sharan Roongta 88206d307b default was incorrect and some useful examples added 2022-11-07 18:30:46 +01:00
Philip Eisenlohr 13d0f3ae8a more precise description of `times_in_range` 2022-11-07 12:21:26 -05:00
Philip Eisenlohr f88ac18c8a consistent "optional" in parameter description 2022-11-07 12:18:00 -05:00
Martin Diehl 015f1ec741 possibility to export into new DADF5 file 2022-11-07 10:10:13 +01:00
Daniel Otto de Mentock 2c3da9c1bf added custom path export option to Result.export_* functions 2022-11-06 18:10:23 +00:00
Daniel Otto de Mentock 580e01bd1c fix grid add primitive bug 2022-08-29 11:44:50 +00:00
Martin Diehl 31fe894c78 Merge branch 'docstring-polishing' into 'development' 
increasing consistency

See merge request damask/DAMASK!616
 2022-08-17 04:41:11 +00:00
Martin Diehl 7530d457a2 documenting new behavior 2022-08-15 08:04:02 +02:00
Philip Eisenlohr ef8891797a Merge branch 'development' into empty-table-init 2022-08-12 16:15:33 -04:00
Daniel Otto de Mentock 400323a9aa Modified shapeshifter function 2022-08-12 18:45:40 +00:00
Martin Diehl b7cd0c1d51 increasing consistency 2022-08-10 20:51:50 +02:00
Daniel Otto de Mentock 66f129273c Merge branch 'magic_methods_default_docstrings' into 'development' 
Added standard magic method descriptions to magic methods

Closes #112

See merge request damask/DAMASK!606
 2022-08-10 15:35:56 +00:00
Philip Eisenlohr 009320c9fc polishing of doc-strings 2022-08-09 09:29:22 -04:00
Martin Diehl fb38340184 glitch in example 2022-07-27 12:56:37 +02:00
Martin Diehl 44d9663ff0 standard name 2022-07-26 21:55:17 +02:00
d.mentock 3492dfcd3b Adding consistency to docstring structure 2022-07-08 18:07:07 +02:00
d.mentock df1f362ed3 it's useful for users to see standard docstrings in magic methods 2022-07-08 18:06:41 +02:00
d.mentock 77fa2a1d93 adjustments to patchfile required for marc2021/2022 spack packages 2022-06-15 15:48:34 +02:00
Daniel Otto de Mentock 1328235192 Merge branch 'util_module_import_style' into 'development' 
util: module visibility

Closes #150

See merge request damask/DAMASK!603
 2022-06-13 09:06:04 +00:00
Martin Diehl 1a44b6e692 white space adjustments 2022-06-10 14:03:43 +02:00
d.mentock d88a139a41 pyflakes bug causes error without comment 2022-06-10 12:03:50 +02:00
d.mentock afbafd1d98 util imports need prefix instead of __all__ definition to prevent namespace pollution 2022-06-10 12:00:54 +02:00
Martin Diehl cdd3b44519 using more precise coefficients also in test 
changes in _rotation.py are just cosmetic
 2022-06-09 23:54:56 +02:00
Philip Eisenlohr d10516e0b6 fixed typo 2022-06-09 17:23:16 -04:00
Philip Eisenlohr 8fefc46f38 fixed FZ conditions and tightened tolerance to accommodate higher precision "tfit" 2022-06-09 16:38:13 -04:00
Daniel Otto de Mentock 49e40923e5 Merge branch 'numpy_dtype_int_to_int64' into 'development' 
Prevent windows overflow error when using numpy dtype=int instead of int64

Closes #175

See merge request damask/DAMASK!598
 2022-06-07 10:46:50 +00:00
Philip Eisenlohr 40658a6645 fixed typo in Result.view example 2022-06-05 21:39:06 +00:00
d.mentock b9214fcc6c Prevent windows overflow error when using numpy dtype=int instead of int64 2022-06-02 19:40:18 +02:00
Philip Eisenlohr b7d807db01 re-added default arguments that got lost in last commit 2022-05-25 09:45:37 -04:00
Philip Eisenlohr 4746ac890b Merge branch 'development' into 'empty-table-init' 
# Conflicts:
#   python/damask/_table.py
 2022-05-25 13:29:23 +00:00
Philip Eisenlohr 1dc5e353c4 Merge branch 'sequence-not-iterable' into 'development' 
Need sequence not iterable

See merge request damask/DAMASK!587
 2022-05-25 13:25:25 +00:00
Martin Diehl b9cea941cc simplified 2022-05-23 10:37:57 +02:00
Martin Diehl 4b4b455b85 mypy does not understand the setter 2022-05-22 10:08:32 +02:00
Martin Diehl 8039e56882 Merge remote-tracking branch 'origin/development' into typehints_results 2022-05-21 17:46:59 +02:00
d.mentock 570ba8d626 added type: ignore to unrecognized one line if statement 2022-05-20 12:04:34 +02:00
Philip Eisenlohr 92a4883344 consistent and correct type hinting/documentation for comments 2022-05-19 12:19:55 -04:00
Martin Diehl 6b6c2548c5 Merge branch 'development' into initial-V_e 2022-05-19 17:03:09 +02:00
Martin Diehl 556d9d840e specifying V_e is more natural than F_i 2022-05-19 01:15:17 +02:00
Philip Eisenlohr b1b845cb5c allow init of empty table 2022-05-18 18:30:18 -04:00
Philip Eisenlohr 164c7b4bc3 clarified sequence of sequences argument type 2022-05-18 09:31:19 -04:00
Philip Eisenlohr 254524fa38 clarified sequence and iterable argument types 2022-05-18 09:21:32 -04:00
Philip Eisenlohr 18d862cdb0 Merge branch 'table-vtk-help' into 'development' 
consistent interface and description

See merge request damask/DAMASK!584
 2022-05-17 22:46:58 +00:00
Philip Eisenlohr 8442f0cdd3 accumulate comments 2022-05-17 16:12:00 -04:00
Martin Diehl 6c7f2344da Merge branch 'normalize-to_pole' into 'development' 
normalize to_pole output by default

See merge request damask/DAMASK!578
 2022-05-15 21:46:27 +00:00
Franz Roters d83f0acf7f Merge branch 'rotation-help-polish' into 'development' 
Rotation help improvements

See merge request damask/DAMASK!575
 2022-05-13 09:18:35 +00:00
Martin Diehl 90c3b3170d propagate 'normalize' option 2022-05-13 09:54:32 +02:00
Martin Diehl 12cd19554f consistent interface and description 2022-05-13 06:28:52 +02:00
Martin Diehl c8d48d6eb9 Merge branch 'universal-VTK.set' into 'development' 
Universal VTK.set

See merge request damask/DAMASK!577
 2022-05-13 03:44:11 +00:00
Martin Diehl 6f7e8491bc Merge branch 'Marc2022.1' into 'development' 
Marc2022.1

See merge request damask/DAMASK!579
 2022-05-12 20:38:25 +00:00
Philip Eisenlohr d18e36ecf0 fixed leftover .add --> .set 2022-05-11 18:54:03 -04:00
Martin Diehl 236a009e2b Merge branch 'universal-table.set' into 'development' 
universal Table.set

See merge request damask/DAMASK!576
 2022-05-11 22:30:42 +00:00
Philip Eisenlohr 648d17d381 renamed .add to .set to be consistent with Table.set 2022-05-11 18:19:10 -04:00