Commit Graph

2318 Commits

Author SHA1 Message Date
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
Philip Eisenlohr 5127dfe90b from/as tests use rotation-array; separate bounds checks 2022-12-05 02:08:31 +00:00
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 f8844285d7 putting understanding of hybridIA into code 2022-11-25 01:15:39 +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
Martin Diehl 26284ba2df accidentally added 2022-11-10 09:37:16 +01:00
Philip Eisenlohr 02d785f8f1 comprehensive simulation_setup tests 2022-11-09 17:32:14 -05:00
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
Martin Diehl 75cf446654 including restart information
needed updated tests after generating new HDF5 file
2022-11-09 22:50:32 +01:00
Martin Diehl b2db825fca newest file format 2022-11-09 22:06:20 +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
Martin Diehl 0fa9631675 testing output of export_result 2022-11-06 23:16:30 +01:00
Daniel Otto de Mentock 2c3da9c1bf added custom path export option to Result.export_* functions 2022-11-06 18:10:23 +00:00
Martin Diehl 8caf09aff7 correct inclusion of dependencies 2022-10-12 08:01:33 +02:00
Martin Diehl 14c46d4c2e typo 2022-10-11 07:43:05 +02:00
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
Philip Eisenlohr 7082eab366 small test to demonstrate alternative Table init 2022-07-08 18:01:36 +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 bcd3d00960 fixed test
this tests should ensure that each Orientation has exactly one symmetrically
equivalent representation. It was not fully correct before and works as expected
after 8fefc46f38
2022-06-10 09:26:15 +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