Commit Graph

9885 Commits

Author SHA1 Message Date
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 93da6d3f63 was not used 2019-12-02 23:07:01 +01:00
Martin Diehl c36a5bdfbb bugfix: calculation of size of postResults was wrong 2019-12-02 23:06:28 +01:00
Martin Diehl 2969a53338 not used/needed anymore 2019-12-02 12:54:45 +01:00
Martin Diehl fede8225bc Merge branch 'development' into pytest 2019-12-02 12:47:37 +01:00
Martin Diehl f85ee7d7fb plasticity is postResults-free 2019-12-02 12:39:44 +01:00
Martin Diehl 5d524e1283 tests for nonlocal updated in PRIVATE 2019-12-02 08:55:09 +01:00
Martin Diehl 2b3b26087f consistent names 2019-12-01 20:07:16 +01:00
Martin Diehl 05aa38cc71 using short names 2019-12-01 15:05:49 +01:00
Martin Diehl bb152a171a consistent naming among plasticity laws 2019-12-01 10:32:45 +01:00
Martin Diehl 1cf1da5bcc consistent naming 2019-12-01 09:35:44 +01:00
Martin Diehl 33c090d2ac pointers for better readability 2019-12-01 08:55:24 +01:00
Martin Diehl afad2f2dce short and consistent naming 2019-12-01 08:39:30 +01:00
Martin Diehl df4b642400 polishing 2019-12-01 08:33:04 +01:00
Martin Diehl 07fb915a7e postResults not needed anymore 2019-12-01 08:27:56 +01:00
Martin Diehl c7d675a1e9 not needed anymore 2019-11-30 16:03:18 +01:00
Martin Diehl d93fb12e8c remove extra output
current implementation was not very general, no separation of different
dislocation types.
if output is needed, re-implemenation is straight forward
2019-11-30 14:36:54 +01:00
Martin Diehl 5a792ad09d updated tests 2019-11-30 14:30:13 +01:00
Martin Diehl bb75b6cf92 Merge remote-tracking branch 'origin/development' into almost-no-postResults 2019-11-30 13:45:43 +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