Commit Graph

514 Commits

Author SHA1 Message Date
Martin Diehl 9f61b0d34a not needed,
pd.DataFrame can handle that
2020-01-21 07:14:43 +01:00
Martin Diehl 74927d9622 np.prod(()) is 1.0 (float), casting is therefore needed 2020-01-20 16:05:07 +01:00
Martin Diehl e3d35b41b4 bugfixes: invalid python code 2020-01-20 13:06:32 +01:00
Martin Diehl b23479bfc9 Merge remote-tracking branch 'origin/development' into MiscImprovements 2020-01-20 12:51:41 +01:00
Martin Diehl 757dc4e234 new style table
no header, comments given by '#': Very standard format, we just take
care of multidimensional columns via special label notation
2020-01-20 12:51:09 +01:00
Franz Roters 701a9b18cc Merge remote-tracking branch 'remotes/origin/marc-improvements' into development 2020-01-18 12:21:24 +01:00
Philip Eisenlohr 87767f0cc2 Merge branch 'no-python-quaternion' into 'development'
No python quaternion

See merge request damask/DAMASK!122
2020-01-15 22:52:55 +01:00
Martin Diehl dd70b38d46 detour via numpy array unified datatype 2020-01-15 14:15:57 +01:00
Martin Diehl ce47e18e5c not needed for integer arrays 2020-01-15 13:45:05 +01:00
Martin Diehl 2ba0752b71 ensure that symmetrically equivalent rotations have the same IPF color 2020-01-14 23:56:52 +01:00
Martin Diehl 2bc93b643a testing IPF color values for cube 2020-01-14 23:17:47 +01:00
Martin Diehl 8a674d0279 2 bugfixes:
- mixed up other and me when removing quaternion class
- 1000 random orientations are enough for testing
2020-01-14 22:30:08 +01:00
Martin Diehl 9d1c1fdb92 enforce Re(q) > 0 2020-01-14 11:33:18 +01:00
Martin Diehl 18d6d364ec adjustment to tolerances
Rodrigues test is 'prone' to fail due to diverging tangens(pi/2).
Happens only with a very low chance
2020-01-14 10:57:50 +01:00
Martin Diehl 3afc011a58 fix for untested functionality
thanks to prospector
2020-01-14 10:34:13 +01:00
Martin Diehl 06fc374359 avoid overhead
length of random quaternion is one, no need to go via fromQuaternion but
direct initialization and standardization suffices
2020-01-14 10:22:51 +01:00
Martin Diehl 8e5aa60f34 fixed (and polished) printing 2020-01-14 09:37:59 +01:00
Martin Diehl 9509f1bae1 default abaqus is used if version matches or is undefined
other changes do not alter behavior, just cleaning
2020-01-14 09:15:38 +01:00
Martin Diehl 26c242b997 not needed anymore
conceptually, having the quaternion class is nice but performance-wise
it is a nightmare and prevents vectorization
2020-01-14 09:03:50 +01:00
Martin Diehl 99684c3e86 Merge branch 'vectorized-orientation-conversion' into no-python-quaternion 2020-01-14 09:02:43 +01:00
Martin Diehl 3fc616bc7d Merge branch 'development' into vectorized-orientation-conversion 2020-01-14 09:00:10 +01:00
Martin Diehl af42eae9c1 Merge branch 'development' into python-module 2020-01-14 08:58:19 +01:00
Martin Diehl c7e92c672d avoid code duplication 2020-01-14 07:30:17 +01:00
Martin Diehl ecb8510217 leaner (and hopefully faster) code 2020-01-14 05:32:42 +01:00
Philip Eisenlohr 86f27df0b2 damask.Environment reads from os.environ; python module is packaging-ready 2020-01-13 17:28:28 -05:00
Martin Diehl f7d0b75f06 Merge branch 'development' into marc-improvements 2020-01-13 22:06:52 +01:00
Philip Eisenlohr edbee3a419 Merge branch 'development' into python-module 2020-01-13 15:24:08 -05:00
Martin Diehl 7b3015c6bd relaxed tolerances.
one out of multiple thousand tests failed ...
2020-01-13 18:44:50 +01:00
Martin Diehl 47bcdfc22c [skip sc] vtk output working and tested
need to check syntax check because ifort 17.0 has problems with new
mesh. Works, however, with Intel 17.8
2020-01-13 11:53:37 +01:00
Martin Diehl 76d0383c2f Merge branch 'MoreImprovements' into marc-improvements 2020-01-13 10:04:27 +01:00
Martin Diehl bd4db68a12 support for non QUAD cell type 2020-01-13 10:03:13 +01:00
Martin Diehl f9772a3df8 more descriptive name 2020-01-13 02:51:49 +01:00
Martin Diehl 26442ee783 bugfixes
missing import/outdated test
2020-01-12 19:35:45 +01:00
Martin Diehl 70b73762ed avoid warning due to change in default parameter 2020-01-12 19:21:16 +01:00
Martin Diehl 19e88df571 polishing 2020-01-12 07:53:41 +01:00
Martin Diehl 1315029196 do not clutter comments 2020-01-12 02:06:53 +01:00
Martin Diehl 1bb94f03b8 polishing (prospector was complaining) 2020-01-12 00:21:14 +01:00
Martin Diehl 97ddd56540 avoid strange deformation gradients
otherwise, the test fails in a few cases (determinants were in the range
1e-5 to 1e16)
2020-01-11 23:44:11 +01:00
Martin Diehl 3938f34978 Merge branch 'MiscImprovements' into MoreImprovements 2020-01-11 22:37:41 +01:00
Martin Diehl 2d9c25f8e5 Merge branch 'development' into MiscImprovements 2020-01-11 20:34:35 +01:00
Philip Eisenlohr 300f1b7015 added options to return "natural" versions of asQ, asRodrig, and asAxisAngle 2020-01-11 11:36:22 -05:00
Martin Diehl 09f42a3991 ang files might have more columns 2020-01-08 15:34:21 +01:00
Martin Diehl 385085de73 correct names for numpy (differ from math) 2020-01-04 01:05:40 +01:00
Martin Diehl e692118ec5 easier to use for single output label 2020-01-03 15:41:15 +01:00
Martin Diehl b5e4e42505 splitext includes leading dot 2020-01-03 14:44:31 +01:00
Martin Diehl 49f3de44b9 limit import statements (numpy already in use) 2020-01-02 18:02:13 +01:00
Martin Diehl 97e7f510e2 wrong time was reported in case of trailing inactive increments 2020-01-02 16:27:42 +01:00
Martin Diehl f5c58517a7 enable one grid point along all directions 2019-12-24 15:59:09 +01:00
Martin Diehl aec9c601d6 some insights from continuum mechanics formulated as test 2019-12-23 15:34:13 +01:00
Martin Diehl 60580cc45a mixed up left/right stretch tensor 2019-12-23 07:16:50 +01:00
Martin Diehl 2cb3213e37 improvements to Table class
- string comparison  should be '!=' not 'is not', latter compares
object, not value
- functions for common operations: append (vstack, growTable) and join
(hstack, addTable)
2019-12-22 22:21:32 +01:00
Martin Diehl 48c21045d7 centralized functionality for ang import 2019-12-22 14:57:57 +01:00
Martin Diehl e08b096f08 just to make sure ... 2019-12-21 23:43:56 +01:00
Martin Diehl a7d60dc52a not used anymore
geom class has own report function
2019-12-21 19:10:41 +01:00
Martin Diehl 5b7139dc22 using specialized class 2019-12-21 19:09:28 +01:00
Martin Diehl 6989679d3b using central functionality
- Table class for table data
- grid_filters for grid related functions
2019-12-21 19:03:36 +01:00
Martin Diehl 2cd2d6f506 cell_2_node/node_2_cell work only for periodic data
hence, coordinates and displacements cannot be converted easily
2019-12-21 18:07:04 +01:00
Martin Diehl 3bf9a4deb5 Merge branch 'grid-filters' into MiscImprovements 2019-12-21 17:39:39 +01:00
Martin Diehl 503626473a bugfix: wrong grid order
for x fast, z slow, the shape of the array needs to be reversed
2019-12-21 17:38:16 +01:00
Martin Diehl 0d1ff72c45 Merge branch 'grid-filters' into MiscImprovements 2019-12-21 06:57:38 +01:00
Martin Diehl f0d3b29b82 Merge branch 'development' into MiscImprovements 2019-12-21 06:53:56 +01:00
Martin Diehl 2c5f7d3b5a Merge branch 'development' into grid-filters 2019-12-20 14:32:20 +01:00
Franz Roters 034367fa6a Merge remote-tracking branch 'remotes/origin/noPostResults' into development 2019-12-20 11:40:57 +01:00
Martin Diehl 2fe163be31 Merge branch 'development' into MiscImprovements 2019-12-18 19:57:00 +01:00
Francisco Jose Gallardo Basile 80b559dc00 Merge branch 'no_phase_name_for_genericoutput' into 'development'
No phase name for genericoutput

See merge request damask/DAMASK!113
2019-12-18 18:54:46 +01:00
Martin Diehl 3c42368f66 also use newer regex 2019-12-18 11:29:13 +01:00
Martin Diehl 6a8783bab8 these functions are static
class methods change are allowed to change the attributes of the class.
This is not what we do here
2019-12-13 15:46:40 +01:00
Martin Diehl 5b376712ef bugfix: wrong coordinates 2019-12-13 14:39:10 +01:00
Martin Diehl e5448fc381 avoid code duplication 2019-12-13 14:36:52 +01:00
Vitesh Shah 7d849b639b Point based vtk file in DADF5 class 2019-12-13 14:20:18 +01:00
f.basile 57a69ad4c9 Reupload PDF pole figures. 2019-12-13 13:32:16 +01:00
f.basile 0c30f6b1df Polishing Mtex script for plotting pole figures. 2019-12-13 12:52:33 +01:00
Martin Diehl b14c15fd9e directly output DADF5 to vtk from python 2019-12-13 12:15:45 +01:00
Martin Diehl 63fc125398 include origin do DADF5
requires updat of file version
2019-12-13 09:12:07 +01:00
Philip Eisenlohr cc6f771368 [skip ci] strip whitespace from VERSION 2019-12-12 18:10:22 -05:00
Philip Eisenlohr 582f895d18 restored Solver module functionality 2019-12-12 16:58:37 -05:00
Philip Eisenlohr e37daadaff restored environment functionality 2019-12-12 14:57:07 -05:00
Philip Eisenlohr 41ed7ce462 "pip install damask" either locally or from PyPI after upload 2019-12-12 14:32:51 -05:00
Martin Diehl 1d7010778e [skip ci] silence annoying warnings 2019-12-11 19:43:23 +01:00
Martin Diehl fcbe4ee5a2 [skip ci] polishing 2019-12-11 18:08:51 +01:00
Martin Diehl bd12ef83b9 parametrizing 2019-12-11 18:01:24 +01:00
Martin Diehl 37e52fd81f polishing 2019-12-11 16:51:13 +01:00
f.basile 562d216fa9 bcc is passive rotation and fcc is active rotation 2019-12-11 09:23:12 +01:00
Martin Diehl 0b04843c91 pandas is needed for Table class 2019-12-11 08:11:00 +01:00
Martin Diehl e142d00d02 test now sensible to wrong rename 2019-12-10 20:05:24 +01:00
Martin Diehl 4c1281b4fc rename changed order in shapes dict.
This resulted in wrong column names when writing to ASCII file

two fixes (one would be enough):
1) keep order (build new directory)
2) write in order of labels in pandas dataframe, not in order in shapes
dict
2019-12-10 20:04:03 +01:00
f.basile ca06c1d3a2 Fix bugs in relatedOperations for NW,GT and GTprime. 2019-12-10 13:49:33 +01:00
Martin Diehl d1fa2a14dc was used only for yield surface fitting 2019-12-09 05:28:00 +01:00
Martin Diehl 5a9173ccf4 might simplify plotting in MTEX 2019-12-08 21:57:07 +01:00
Martin Diehl fa9ee6b116 using reference results for orientation relationships 2019-12-08 21:48:32 +01:00
Martin Diehl 53cb59fc47 use pytest instead of hand-written test class 2019-12-08 21:29:26 +01:00
Martin Diehl 6dfe24290c Merge remote-tracking branch 'origin/development' into fix-orientation-relationship-2 2019-12-08 21:10:50 +01:00
Martin Diehl b56864552f testing forward <-> backward conversion 2019-12-08 21:05:34 +01:00
Martin Diehl 21431295fb documenting 2019-12-08 20:20:13 +01:00
Martin Diehl 4e2e7d02f6 more sensible interface 2019-12-08 18:54:41 +01:00
Martin Diehl 7dc128ad12 polishing 2019-12-08 18:33:43 +01:00
Martin Diehl 828e82605e ensure that data is correctly ordered 2019-12-08 18:13:45 +01:00
Martin Diehl 8d0c4310cf improvements to grid generation
- handling of origin
- inverse functions: calculate grid,size,origin from regular coordinates
(cell or node). should replace corresponding functionality in util
2019-12-08 18:12:22 +01:00
Martin Diehl 9dc726ff53 polishing 2019-12-08 09:17:57 +01:00
Martin Diehl ba69f5a631 polishing 2019-12-07 22:33:31 +01:00
Sharan Roongta 96710a238d Merge branch 'development' of magit1.mpie.de:damask/DAMASK into incs-no-leading-zero 2019-12-06 15:25:21 +01:00
Martin Diehl 4ddfd82304 better names 2019-12-05 18:32:21 +01:00
Martin Diehl b1ff178109 Merge branch 'new-ASCII' into grid-filters 2019-12-05 18:06:56 +01:00
Philip Eisenlohr 2648a67dcd fixed sort_by to respect updated index (upon subsequent adding of new data) 2019-12-05 12:02:10 -05:00
Philip Eisenlohr 3caf2c1296 condensing code 2019-12-05 09:05:50 -05:00
Martin Diehl e7358746dc taking care of prospector complaints
variables in 'eval' are hidden
2019-12-05 10:54:35 +01:00
Martin Diehl 274aaa7359 Merge branch 'new-ASCII' into grid-filters 2019-12-05 10:50:56 +01:00
Martin Diehl 1018b89296 nice to have.. 2019-12-05 10:48:42 +01:00
Martin Diehl f885748a58 variable was never used 2019-12-05 08:43:14 +01:00
Martin Diehl 1bf4946e67 invalid escape sequence 2019-12-05 08:37:39 +01:00
Martin Diehl 469d638afb making table class feature complete 2019-12-05 06:57:09 +01:00
Martin Diehl ee8e3386f4 shorter but still descriptive names 2019-12-05 06:16:29 +01:00
Martin Diehl e7a67262f8 clear enough 2019-12-05 06:00:49 +01:00
Martin Diehl 2172e92e7e test exotic input files 2019-12-05 05:57:47 +01:00
Martin Diehl 5fdf112f78 allow strings as data in ASCII file 2019-12-05 05:45:27 +01:00
Martin Diehl 1c83572589 more descriptive names 2019-12-05 05:11:58 +01:00
Martin Diehl 381c95bd1e WIP: regrid functionality 2019-12-04 10:41:02 +01:00
Martin Diehl 07e9778798 one more test 2019-12-04 10:20:57 +01:00
Martin Diehl bc41bbbec5 test coordinates-related functions 2019-12-04 09:23:08 +01:00
Martin Diehl 999321e588 Merge branch 'new-ASCII' into grid-filters 2019-12-04 07:45:01 +01:00
Martin Diehl 285075bb6b ordered alphabetically 2019-12-04 06:15:32 +01:00
Martin Diehl 6902d3dd0a repeated test
better sort alphabetically
2019-12-04 06:04:06 +01:00
Martin Diehl 6c31e22855 testing new style DADF5 file 2019-12-04 05:59:52 +01:00
Martin Diehl 32ebcea207 more tests 2019-12-04 05:49:43 +01:00
Martin Diehl fecd4632b4 correct reporting of time 2019-12-04 05:49:17 +01:00
Martin Diehl 58a190ede8 Merge branch 'development' into incs-no-leading-zero 2019-12-04 05:19:38 +01:00
Martin Diehl 1110affec2 Merge branch 'new-ASCII' of magit1.mpie.de:/damask/DAMASK into new-ASCII 2019-12-04 05:10:01 +01:00
Martin Diehl 9ad8743396 using central functionality 2019-12-03 22:00:21 +01:00
Martin Diehl e006e0ebec functions for spatial coordinates on regular grids 2019-12-03 18:59:59 +01:00
Martin Diehl 3effea8e1d also check operations that should NOT work 2019-12-03 17:03:03 +01:00
Martin Diehl f5bbd3cf22 ensure functionality through unit testing 2019-12-03 16:39:54 +01:00
Martin Diehl ff1778d149 Merge branch 'development' into new-ASCII 2019-12-03 15:56:49 +01:00
Martin Diehl 8f77843b0f improved naming
- clearer variable names
- no '-' in attributes
- single source of truth
2019-11-30 09:01:37 +01:00
Martin Diehl 354c0123a1 backward compatibility 2019-11-30 08:40:59 +01:00
Martin Diehl 4185fcb4c3 adjust to new naming 2019-11-29 21:40:54 +01:00
Martin Diehl dc3fc8f70c do not clutter with leading zeros 2019-11-29 17:00:48 +01:00
Martin Diehl 76a1506893 small improvements
bugfix: writing correct labels (now consistent with readin)
error handling for inconsistent initialization
2019-11-28 20:18:54 +01:00
Martin Diehl f2e722ed2e polishing 2019-11-28 18:22:34 +01:00
Martin Diehl 3e65d44e07 centralized facilities for differential operations
note the need to reverse the grid shape in data from the ASCII table. If x is fastest,
z is slowest we require x to be the rightmost index
2019-11-28 15:46:22 +01:00
Martin Diehl 80b50f460e cleaning
trying to get rid of strange re-ordering related to ASCII table data
layout
2019-11-28 10:09:22 +01:00
Martin Diehl ca92400c2f polishing
columns is the term used py pandas
2019-11-28 05:58:28 +01:00
Martin Diehl b85049cb81 use brackets for line continuation with comments 2019-11-28 05:41:53 +01:00
Martin Diehl 98d5738fe6 Merge branch 'new-ASCII' into grid-filters 2019-11-28 05:12:36 +01:00
Martin Diehl 80002e6cfd proper capitalization 2019-11-27 13:21:41 +01:00
Martin Diehl cee095b58e better use centralized code 2019-11-27 12:22:28 +01:00
Martin Diehl 7d4b982c73 make information on modifications mandatory 2019-11-27 12:08:23 +01:00
Martin Diehl 76c3577378 pandas.DataFrame needs to be a 2nd order array 2019-11-27 12:03:35 +01:00
Martin Diehl 39734ef53c alter data
allows to access multiple columns ('f') and individual components
('1_f')
2019-11-27 10:56:29 +01:00
Martin Diehl 96714089b1 documented and tested handling of multi-dimensional data
more precise regex expressions. get_array can handle individual
components
2019-11-27 09:58:58 +01:00
Martin Diehl 882a11c5f8 get labels without shape information 2019-11-27 08:43:20 +01:00