Commit Graph

45 Commits

Author SHA1 Message Date
Martin Diehl bc667888ce consistent style 2022-01-26 23:37:07 +01:00
Daniel Otto de Mentock 0c21b6a8e0 [skip ci] changed almost all function definition lines to multiline for colormap, grid, table, vtk and util modules 2022-01-26 16:25:27 +01:00
Martin Diehl e8c39077df optional is usually not needed 2022-01-26 06:26:37 +01:00
Philip Eisenlohr 2f07d88bc7 clarified set of option values 2022-01-24 21:09:13 +00:00
Martin Diehl e320623a40 simplified
dict keeps order since Python 3.6
2022-01-23 14:22:36 +01:00
Martin Diehl 3e584570b2 polishing 2022-01-23 14:15:25 +01:00
Daniel Otto de Mentock dd82c3c8f0 rewrote table module adjustments to not make use of _io module 2022-01-14 15:08:40 +01:00
Daniel Otto de Mentock db21e82fe3 adjusted data.column retrieval in save method 2022-01-13 17:15:54 +01:00
Daniel Otto de Mentock b4088b666e adjusted filehandle conditional type 2022-01-13 13:27:50 +01:00
Daniel Otto de Mentock ffa80f6bef added typehints for table module 2022-01-12 17:10:13 +01:00
Sharan Roongta edb7834404 typo 2021-05-20 10:30:00 +02:00
Martin Diehl 3977e230b3 documenting and ensuring consistent argument names
'name' for a dataset matches the analogy to a file name
2021-04-24 14:47:45 +02:00
Martin Diehl 4d67c85a33 clarify out-of-place behavior and document return values 2021-04-23 23:32:09 +02:00
Martin Diehl 9db1ef9ed7 polishing 2021-04-05 13:41:49 +02:00
Martin Diehl c1f7ea750b legacy access not needed anymore 2021-04-01 06:55:47 +02:00
Martin Diehl 8a3af87e3e Merge remote-tracking branch 'origin/development' into spring-cleaning 2021-04-01 00:09:51 +02:00
Philip Eisenlohr 07c9cf5f1a - improved reporting and slicing of table.
- implemented numpy-like `allclose` and `isclose`
2021-03-31 18:30:07 +00:00
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 be9e00347b cleaning
dropped support for legacy table
2021-03-27 10:11:31 +01:00
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
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 35ca1ffb0a consistent copy functionality 2021-01-03 12:03:40 +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 ac0a20696c rename: grid -> cells 2020-12-03 22:16:34 +01:00
Philip Eisenlohr 4877334986 added getitem and where functionality to Table 2020-12-02 19:25:54 -05:00
Martin Diehl e15678e7a4 consistent handling of comments 2020-11-12 21:31:09 +01:00
Martin Diehl 5926f84851 WIP: refactoring Orientation=Symmetry+Rotation, Lattice=subclass of Sym, and Crystal=Lattice+Rotation 2020-11-09 21:20:56 +01:00
Martin Diehl 75401dd280 generate configuration from table 2020-10-09 07:45:20 +02:00
Martin Diehl 6ab88aad2b default format for Table is ASCII
hence, renamed load_ASCII/save_ASCII to load/save
2020-09-20 20:45:06 +02:00
Martin Diehl c935ba1215 user friendly self reporting 2020-09-18 16:23:23 +02:00
Martin Diehl 1849ff0330 polishing 2020-09-18 15:03:51 +02:00
Philip Eisenlohr 96ad358f83 modified file reading/writing methods to load_X, save_X formalism 2020-09-15 01:14:05 -04:00
Martin Diehl f6758ecc28 table class operates out of place 2020-09-14 07:04:01 +02:00
Philip Eisenlohr a4785ba562 modified file writing of geom and table to a general to_file() that takes a "format=" argument 2020-09-03 10:53:16 -04:00
Martin Diehl 0ceba2a6d3 use central functionality 2020-08-24 23:28:26 +02:00
Martin Diehl 6a748d2edf do not expand single strings into characters 2020-06-28 11:19:18 +02:00
Philip Eisenlohr 9999560247 easier understanding of from_ang data layout interpretation 2020-06-24 18:36:43 -04:00
Philip Eisenlohr 14d3b7e66d more f-stringing 2020-06-24 16:59:55 -04:00
Philip Eisenlohr 966b6f8007 shapes init copes with integers instead of strict tuples; introduced f-strings 2020-06-24 14:18:06 -04:00
Martin Diehl bbce3456e8 advise from pylint 2020-03-22 22:30:38 +01:00
Martin Diehl 20a06840b0 works also for arrays ... 2020-03-21 11:07:21 +01:00
Martin Diehl e390982be7 clean first level structure 2020-03-19 15:19:11 +01:00