Commit Graph

9823 Commits

Author SHA1 Message Date
Martin Diehl 999321e588 Merge branch 'new-ASCII' into grid-filters 2019-12-04 07:45:01 +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 d92d503b3c pytest should be part of the test suite 2019-12-03 16:49:27 +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
Test User e237d30e99 [skip ci] updated version information after successful test of v2.0.3-1133-gfede8225 2019-12-03 13:28:36 +01:00
Martin Diehl 62ca2952fc polishing 2019-12-03 11:27:14 +01:00
Martin Diehl fede8225bc Merge branch 'development' into pytest 2019-12-02 12:47:37 +01:00
Test User a4fdad78a4 [skip ci] updated version information after successful test of v2.0.3-1111-g374980da 2019-11-29 19:04:38 +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 4c4ccfe72e not needed 2019-11-28 06:27:19 +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 374980daea Merge branch 'development' into no-crystallite 2019-11-27 13:26:47 +01:00
Martin Diehl 80002e6cfd proper capitalization 2019-11-27 13:21:41 +01:00
Martin Diehl 9035d8d3cb Merge branch 'development' into pytest 2019-11-27 13:18:20 +01:00
Martin Diehl a8016d64bb simplified 2019-11-27 12:31:32 +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 9ad74745c1 missing import detected by prospector 2019-11-27 08:48:41 +01:00
Martin Diehl ab83dc2ebc use central facilities 2019-11-27 08:45:01 +01:00
Martin Diehl eb033e11b2 polishing 2019-11-27 08:44:38 +01:00
Martin Diehl 882a11c5f8 get labels without shape information 2019-11-27 08:43:20 +01:00
Martin Diehl 31d3958ca6 using fast new Table class
more a proof-of-concept since shell scripts are deprecated. The detailed
error handling of the former scripts is not implemented, i.e. the user
need to ensure that the files exist and the data has the correct shape
2019-11-26 22:59:42 +01:00
Martin Diehl 2d96136a0d more general constructor for Table
reading from file is just one case (now handled by static method).
General constructor needs data and header information as dictionary.
Works only with python 3.7 where dict keeps the insertion order. Earlier
python versions/other implementations might fail.
2019-11-26 22:53:46 +01:00
Martin Diehl 5661f60552 fname seems to be the common name 2019-11-26 21:36:24 +01:00
Martin Diehl 925a4f73d6 staticmethod better suited than class method
a classmethod changes the class, i.e. it assigns attributes and gives
them specific values.
a staticmethod does not alter the class

https://www.geeksforgeeks.org/class-method-vs-static-method-python
2019-11-26 20:32:54 +01:00
Martin Diehl 845cfc34ec similar logic as in geom class
- filename is not part of the object
- transparent handling of files, strings, and path-like objects for file
IO
2019-11-26 14:26:25 +01:00
Martin Diehl 81abc43920 Merge branch 'development' into new-ASCII 2019-11-26 10:29:05 +01:00
Martin Diehl 23f5e0fa58 filters for operations on regular grids (in fourier space) 2019-11-26 10:25:39 +01:00
Test User 81c739192a [skip ci] updated version information after successful test of v2.0.3-1097-ga7fca4df 2019-11-26 02:14:29 +01:00
Philip Eisenlohr a7fca4dfc1 Merge branch 'PythonImprovements' into 'development'
Python improvements

See merge request damask/DAMASK!103
2019-11-25 22:31:09 +01:00
Martin Diehl 217a901edd PRIVATE fixed 2019-11-25 21:44:58 +01:00
Martin Diehl faeb5a98b4 Merge branch 'PythonImprovements' into no-crystallite 2019-11-25 21:41:38 +01:00
Martin Diehl 592878d364 need to invoke function 2019-11-25 17:29:13 +01:00
Martin Diehl af78aaf2f1 testing rescale 2019-11-25 14:01:40 +01:00
Martin Diehl e16024ddf9 Merge branch 'PythonImprovements' into pytest 2019-11-25 14:00:24 +01:00
Martin Diehl 476569390a enable use of path objects, strings, and opened files 2019-11-25 13:47:14 +01:00
Martin Diehl b757f02649 avoid repetitions 2019-11-25 12:04:57 +01:00
Martin Diehl 6d25506204 test for new pack functionality 2019-11-25 09:28:59 +01:00