Commit Graph

1478 Commits

Author SHA1 Message Date
Martin Diehl 989992004d cleaning dicts 2021-03-30 19:41:36 +02:00
Martin Diehl 7865092b82 not needed 2021-03-30 17:24:19 +02:00
Martin Diehl b9b66fac45 simplified 2021-03-30 17:15:02 +02:00
Martin Diehl d1af4b031a source for python-compatible versioning 2021-03-30 17:02:57 +02:00
Martin Diehl b19ec4f8ae first ideas for more user friendly usage 2021-03-30 07:24:47 +02:00
Martin Diehl 3fe1accf18 not used anymore 2021-03-28 19:48:44 +02:00
Martin Diehl 5ea2fa97a0 untested and unused code 2021-03-28 12:46:26 +02:00
Martin Diehl a587e70704 split into small sections and test damage 2021-03-28 12:08:08 +02:00
Martin Diehl a3ab890315 bugfix for ConfigMaterial
don't use mutable variables in python initializers, they get updated
2021-03-28 11:35:40 +02:00
Martin Diehl 480b8315a7 cleaning + testing 2021-03-27 15:54:29 +01:00
Martin Diehl 8a99306aed old table not needed anymore 2021-03-27 14:34:18 +01:00
Martin Diehl c742f7c9d0 need to cope with _asciitable.py and _test.py 2021-03-27 12:47:58 +01:00
Martin Diehl be9e00347b cleaning
dropped support for legacy table
2021-03-27 10:11:31 +01:00
Martin Diehl 111a1a76c6 cleaning 2021-03-27 07:35:49 +01:00
Martin Diehl 9fd244d8a0 cleaning 2021-03-26 20:59:49 +01:00
Martin Diehl 3e8bcd3225 cleaning examples, using consistent names
- examples in repository should only show the most basic steps
- MSC.Marc, marc => Marc
2021-03-26 09:27:49 +01:00
Martin Diehl 9e9eb391ba handle floating point errors 2021-03-25 22:33:14 +01:00
Martin Diehl a72e2db678 Merge branch 'development' into output-rename 2021-03-25 21:03:20 +01:00
Philip Eisenlohr 3d4590a522 Merge branch 'citation-style' into development 2021-03-25 14:39:44 -04:00
Philip Eisenlohr 0e57135239 [skip ci] dx.doi.org --> doi.org 2021-03-25 14:33:08 -04:00
Martin Diehl 3b392281e4 consistent naming in HDF5 output 2021-03-25 19:22:59 +01:00
Martin Diehl fe0cd8e5e2 transparently handle orientations/rotations 2021-03-25 15:30:31 +01:00
Martin Diehl 1ff6a09746 tests/specifications 2021-03-23 18:51:21 +01:00
Martin Diehl 572c3204d0 let the computer do the work 2021-03-23 14:28:56 +01:00
Martin Diehl e0e088eaa8 EBSD dataset for testing
use only non-segmented data. Automatically fall back to numeric phase
names if cell_ensemble_data is not found
2021-03-23 13:42:04 +01:00
Martin Diehl 549b849730 better readable 2021-03-23 12:05:08 +01:00
Martin Diehl 926b5c657d material_add can do expansion 2021-03-23 12:01:35 +01:00
Vitesh Shah 005fde2504 homogenization in material was missing 2021-03-23 11:48:35 +01:00
Martin Diehl 7012099d0c substituted broken link 2021-03-20 14:34:14 +01:00
Martin Diehl 1c3d1ee0f2 documented 2021-03-20 13:37:06 +01:00
Martin Diehl 394fda5f37 improving import from DREAM.3D
- no duplicated entries even for non-segmented data
- using phase labels from file
- material.yaml: Dummy homogenization and phase
- tests to ensure correct order and match between Grid and
  ConfigMaterial
2021-03-20 12:56:18 +01:00
Martin Diehl cdcedd0d44 autodetect base group 2021-03-20 07:26:07 +01:00
Martin Diehl 35c5bfcc45 reference files for DREAM.3D operations
will be used for the configuration of material.yaml and grid (using
symbolic links)
2021-03-19 11:45:04 +01:00
Sharan Roongta fc172921fb unified citation style continued 2021-03-19 10:41:47 +01:00
Martin Diehl 07d79ef4ba unifying style 2021-03-17 11:25:21 +01:00
Martin Diehl ec28fd8a73 polishing 2021-03-12 09:23:05 +01:00
Martin Diehl 3b27c64709 Merge remote-tracking branch 'origin/development' into config_from_dream3D 2021-03-12 08:11:54 +01:00
Philip Eisenlohr e2d4ab427e explicit path joining with "/" in _result; updated cpTi CRSS 2021-03-09 22:02:49 -05:00
Philip Eisenlohr a26e586b14 More general 'delete' (accepts iterables) and backports of '|' and '|=' for union/add.
'|=' would work for python 3.9 without extra code, but '|' unfortunately casts 'damask.Config' (subclass of 'dict') to a 'dict'.
2021-03-09 19:15:15 +00:00
Philip Eisenlohr 4208c4e713 adapted to Table.add being out-of-place 2021-03-08 11:04:49 -05:00
Philip Eisenlohr 7cbc69a4ca added "Returns" to help 2021-03-08 11:02:27 -05:00
Philip Eisenlohr 109ad378c2 corrected help text of as_Rodrigues_vector 2021-03-02 16:26:18 +01:00
Franz Roters 7b89cb41f9 Merge branch 'dislotwin-correction' into 'development'
dislotwin-correction

See merge request damask/DAMASK!347
2021-02-28 19:45:34 +00:00
Philip Eisenlohr 464c62e7e7 abandoned integer aliases for projection directions 2021-02-28 12:47:13 +01:00
Philip Eisenlohr 175d724ded added keepdims=False option to project_stereographic 2021-02-27 18:38:40 -05:00
Philip Eisenlohr ea763fd941 generalized stereographic projection to cope with all three directions (x,y,Z) 2021-02-27 11:15:01 -05:00
Martin Diehl bf223e8e00 helpful reporting in case of errors 2021-02-26 06:35:42 +01:00
Philip Eisenlohr 1d62341811 Fixed missing second-to-last entry in representation list. Polished help texts. 2021-02-26 03:20:28 +01:00
Sharan Roongta c0e488881e converted two examples to yaml 2021-02-24 20:13:55 +01:00
Philip Eisenlohr 2549d7a05a [skip ci] removed debug print statement 2021-02-24 15:50:06 +01:00
Philip Eisenlohr 2dea705fa9 polishing/shortening 2021-02-23 19:01:10 -05:00
Philip Eisenlohr 0b08b3d233 expanded help texts 2021-02-23 18:54:55 -05:00
Philip Eisenlohr dcc42204ec expanded help on material_add 2021-02-23 18:40:32 -05:00
Philip Eisenlohr 69316f186b fixed ConfigMaterial.from_table; 2D grid.from_table now acceptable 2021-02-23 11:50:13 -05:00
Philip Eisenlohr 4a00254dba shortened material_add and allow for multi-constituent; broken from_table... 2021-02-22 22:47:08 -05:00
Martin Diehl 0461c404f7 numpy uses __array__ for casting
avoids infinite loop of __init__, __getitem__, and shape. Found on
8cf07f6113
2021-02-22 18:52:06 +01:00
Martin Diehl 5517be5078 warn the caller of deprecated functions 2021-02-22 08:49:44 +01:00
Martin Diehl 67f0ab2ce8 silence deprecation warning 2021-02-22 08:46:28 +01:00
Martin Diehl b00b4bb0ad more general handling of precision
Anaconda on windows does not have np.float128 defined, but aliases
should work
https://numpy.org/devdocs/user/basics.types.html
2021-02-19 17:03:41 +01:00
Martin Diehl f5f993435b make intention clear 2021-02-19 16:34:28 +01:00
Martin Diehl ab9661d951 don't see how ':=' should help here 2021-02-19 07:04:34 +01:00
Martin Diehl 7c6ce525a3 ask for minimum version 2021-02-19 06:51:32 +01:00
Philip Eisenlohr f609b61157 Merge branch 'development' into account-for-floating-point-precision-in-orientation 2021-02-15 16:26:25 -05:00
Philip Eisenlohr 6bbd55d967 exchanged c for x in from_cubochoric 2021-02-15 16:25:36 -05:00
Philip Eisenlohr 002cfbd085 Merge branch 'account-for-floating-point-precision-in-orientation' into 'development'
ensures that at least one orientation in the FZ is found

See merge request damask/DAMASK!337
2021-02-15 20:53:37 +00:00
Philip Eisenlohr 89e8ca4535 renamed and shortened _separate_arguments() 2021-02-15 11:22:42 -05:00
Sharan Roongta 099cd90890 Merge remote-tracking branch 'origin/development' into python-improvements 2021-02-13 16:51:29 +01:00
Martin Diehl fe63adcca4 mimic python error message and ensure that error is raised 2021-02-12 18:20:39 +01:00
Sharan Roongta 9e8a243d6f avoid name conflict with lattice parameter 'c' 2021-02-12 12:15:08 +01:00
Sharan Roongta f1b8978e21 accept variables that will be used
**kwargs allowed the use of extraneous arguments
2021-02-12 11:24:12 +01:00
Martin Diehl 958936c449 Merge branch 'development' into polishing-for-release 2021-02-11 21:59:59 +01:00
Martin Diehl e8fae6b2a7 simplified 2021-02-11 21:56:53 +01:00
Martin Diehl 4e31862f0f avoid repetition 2021-02-10 18:35:13 +01:00
Martin Diehl 6895ef6b18 always write LF line endings
small pitfall: I windows users use a filehandle that results from a call
to open() without the newline option, they get still CRLF line endings
2021-02-10 10:03:35 +01:00
Martin Diehl 4bcbcb34d0 ensures that at least one orientation in the FZ is found 2021-02-09 23:58:00 +01:00
Martin Diehl 869307c5ec temperature not needed for pure mechanics
would also require to define thermal homogenization
2021-02-08 22:56:37 +01:00
Sharan Roongta cab5a5cec7 homogenization 'none' name misleading. 2021-02-04 15:37:40 +01:00
Sharan Roongta 14ce127dc4 fraction --> v 2021-02-04 13:46:01 +01:00
Martin Diehl 051e3ed0ae not needed anymore 2021-02-02 12:26:08 +01:00
Martin Diehl 0f6094890a simplified
damask.environment does not offer any advantage over os.environ for
variables. After 'root_dir' was removed, the whole module became
obsolete
2021-01-15 12:14:05 +01:00
Martin Diehl 37de561938 shell variables are more robust
they will also work if Fortran and python code are installed in
different locations.
2021-01-13 18:53:16 +01:00
Martin Diehl d76543f759 better name 2021-01-13 14:57:58 +01:00
Martin Diehl a7d998dd48 standard name 2021-01-13 14:53:50 +01:00
Martin Diehl 4c35da8627 simplified 2021-01-13 11:33:28 +01:00
Martin Diehl 196902948f simplified 2021-01-13 09:54:04 +01:00
Martin Diehl f4247e0f35 simpler (and scipy compatible) 2021-01-13 09:35:42 +01:00
Philip Eisenlohr 2d6e6a2370 Rotation composition uses "*"; application of Rotation to object uses "@"; "apply()" works on both 2021-01-12 18:57:33 -05:00
Vitesh Shah c3c4b05c01 handling point based data enabled 2021-01-12 13:01:11 +01:00
Vitesh Shah 6bffb91951 Added example 2021-01-11 15:16:46 +01:00
Vitesh Shah 6c367ec010 conform to docstring conventions 2021-01-11 15:05:48 +01:00
Vitesh Shah 2951617e28 able to take phaseID into account 2021-01-11 15:02:15 +01:00
Vitesh Shah dbab3c3a83 dream3D has an extra row at start for grain based data 2021-01-11 14:21:56 +01:00
Vitesh Shah 028d47034d conversion from dream3D for single phase materials 2021-01-11 13:31:08 +01:00
Philip Eisenlohr f0351e403a removed duplicate test 2021-01-07 11:01:15 -05:00
Philip Eisenlohr bde66d85fc Merge branch 'development' into python-improvements 2021-01-07 10:58:33 -05:00
Philip Eisenlohr 94cfe28128 polishing help; Rotation.apply(Rotation) now acceptable. 2021-01-06 18:03:10 -05:00
Martin Diehl acbb564afc restored functionalitity for adding list.
got accidently lost
2021-01-04 07:23:14 +01:00
Martin Diehl d8b4b7e0f5 != and == work componentwise 2021-01-03 21:52:19 +01:00
Martin Diehl f48a446353 compatible with scipy.spatial.transform.Rotation
also introduced inplace variants and '/' as multiplicative inverse of
'*'
2021-01-03 16:08:22 +01:00
Martin Diehl 98723cb0ed need to handle special case of Re() = 0
ensuring that the real part is positive seems to be a good idea on first
sight, but it would be easier to simply acknowledge that qu = -qu
2021-01-03 15:50:15 +01:00
Martin Diehl 80b8693a66 avoid adding to existing data, i.e. when reading a file 2021-01-03 12:10:39 +01:00
Martin Diehl 5f1399acc3 consistent behavior with other classes
python dictionary operates in-place, so wrappers for out-of-place
behavior let it use like the other DAMASK classes
2021-01-03 12:09:21 +01:00
Martin Diehl 9a278daa3f copy not needed
YAML writer does not write out references anymore
2021-01-03 12:07:02 +01:00
Martin Diehl 35ca1ffb0a consistent copy functionality 2021-01-03 12:03:40 +01:00
Martin Diehl 6fe1ff8e39 fixed test for rodrigues parametrization
for angle close to 180deg, the sign of the axis does not matter
2021-01-03 11:50:45 +01:00
Philip Eisenlohr da62daf15d added test for appending rotation lists; better check for type==list 2020-12-28 12:26:09 -05:00
Philip Eisenlohr 4796afdd92 fix for broken representation of no-rotation orientations and averaging weights 2020-12-28 12:10:21 -05:00
Philip Eisenlohr d8b57680ec raise NotImplemented when using R*b instead of R@b 2020-12-21 15:47:18 -05:00
Sharan Roongta 6cc78cb41e Merge branch 'misc-improvements' into 'development'
Misc improvements

See merge request damask/DAMASK!302
2020-12-18 15:19:04 +01:00
Martin Diehl 35f9861818 Fortran standard is 2018
will not work for older compilers
2020-12-18 15:19:04 +01:00
Martin Diehl 5fb0e4908b Examples reflect actual behavior 2020-12-18 07:09:05 +01:00
Philip Eisenlohr 403ac693da need to pass init argument to dict superclass 2020-12-17 18:08:55 -05:00
Philip Eisenlohr e11be7e600 preinitialize a ConfigMaterial object with 'constituents','homogenization','phase' keys 2020-12-17 10:49:33 -05:00
Martin Diehl 2dd520b4a2 P_aim should be independent from P_av
P_av is not defined after restart or cutback. Restart with change of
load case is probably still an issue
2020-12-15 08:06:50 +01:00
Martin Diehl aad123f41b Merge branch 'table-getitem' into development 2020-12-12 19:58:42 +01:00
Philip Eisenlohr 36e4042f0b removed "where" method from Table class 2020-12-11 19:31:19 -05:00
Martin Diehl 2e28bc127a better message in case that GUI is not possible 2020-12-10 23:44:54 +01:00
Martin Diehl a881e6e57a Merge remote-tracking branch 'origin/development' into misc-improvements 2020-12-10 23:41:59 +01:00
Martin Diehl 32c2de6b91 Ensuring regular spacing for grid 2020-12-10 22:47:30 +01:00
Martin Diehl 4286fc3b82 Merge branch 'development' into misc-improvements 2020-12-10 20:21:00 +01:00
Martin Diehl 9b6f5ba9c6 Merge branch 'development' into compressed-hdf5 2020-12-10 00:23:22 +01:00
Martin Diehl de1708b20a missing renames + better help 2020-12-08 00:36:41 +01:00
Martin Diehl 78192ef3fd clearer naming + better comments, thanks to @p.eisenlohr 2020-12-07 17:49:37 +01:00
Martin Diehl 429b84004d more filters
- shuffle: significanlty better compression
- Fletcher32: checksum to detect errors

computational overhead is very small
2020-12-06 19:57:00 +01:00
Martin Diehl 52e3fb50bc compress.
Datasets are chunked along first timension. Chunk size (1MB for real) is
probably not optimal
2020-12-06 11:44:52 +01:00
Martin Diehl 000de75617 write orientation as plain array, not derived type 2020-12-06 08:36:16 +01:00
Martin Diehl c80e1c5420 less confusing in the standard case, more helpful in the special case 2020-12-05 10:47:42 +01:00
Martin Diehl ed286ee09f Merge branch 'rename-grid-2' into misc-improvements 2020-12-05 09:50:46 +01:00
Martin Diehl 171d642dbd rename: Geom -> Grid 2020-12-04 07:50:47 +01:00
Martin Diehl 0fdefa5e78 renames:
after the rename of "grid" to "cell", the name cell should not be used
for the coordinates of the cell centers. In agreement with the names
x_p/u_p for point positions/displacements, now the "point" is used to
refer to the materialpoints (i.e. cell centers)

Additionally, "_node"/"_point" are now suffixes to
"coordinates"/"displacements".

Finally, "coords" is renamed to "coordinates"
2020-12-03 23:59:37 +01:00
Martin Diehl ac0a20696c rename: grid -> cells 2020-12-03 22:16:34 +01:00
Philip Eisenlohr ccf1a849fa Merge branch 'ShowGrainBoundaries' into 'development'
Show grain boundaries

See merge request damask/DAMASK!297
2020-12-03 17:13:15 +01:00
Philip Eisenlohr 4877334986 added getitem and where functionality to Table 2020-12-02 19:25:54 -05:00
Philip Eisenlohr 97df1ab9b3 reinstated write functionality 2020-12-02 13:04:56 -05:00
Martin Diehl d3a5979d25 meaningful result 2020-12-02 14:45:47 +01:00
Martin Diehl c880052250 avoid evil eval 2020-12-02 14:37:44 +01:00
Martin Diehl aa8f30d746 Merge branch 'development' into ShowGrainBoundaries 2020-12-02 12:50:04 +01:00
Martin Diehl 1c2cdbd5a1 support of all standard numpy types
+ tests
2020-11-30 12:33:21 +01:00
Martin Diehl 813ef927c4 consistent with "save_XDMF" (capitalized) 2020-11-30 09:28:46 +01:00
Martin Diehl 4d2bf37193 Merge branch 'lattice-structure-rename' into ShowGrainBoundaries 2020-11-29 20:53:58 +01:00
Martin Diehl 1d05edd7b3 fixes:
- need to get crystal structure as attribute in test (generic function
  was removed, because the crystal structure is in general not the same
  over the whole domain)
- consistent sorting of attributes
2020-11-29 09:06:47 +01:00
Martin Diehl f48f5cb0e8 bugfix/better readable 2020-11-29 08:58:48 +01:00
Martin Diehl c712332e87 using consistent names for Bravais lattice in Fortran and Python 2020-11-28 22:38:12 +01:00
Martin Diehl a8da1e5ed9 Paraview 5.9 supports datasets of arbitrary length in XDMF 2020-11-27 22:57:15 +01:00
Martin Diehl 3c1f1af009 more then one direction in file 2020-11-27 20:16:06 +01:00
f.basile c2be41b9f6 remove import vtk because unused 2020-11-25 12:53:29 +01:00
f.basile 31df4c04c8 added test 2020-11-25 12:51:52 +01:00
f.basile eb085958f8 polishing 2020-11-25 11:32:07 +01:00
f.basile cd58278a01 returns vtk object 2020-11-25 10:39:58 +01:00
f.basile 7abc32b09c alternative for if d_s== , not sure it improves the previous 2020-11-24 19:59:46 +01:00