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mirror of https://github.com/TREX-CoE/trexio.git synced 2025-04-27 10:54:44 +02:00

107 Commits

Author SHA1 Message Date
74c69bb293 better Exception handling with custom exception class 2021-08-30 18:04:35 +03:00
5a2b4d96a7 reshape output arrays by default when reading from the file 2021-08-27 16:08:39 +03:00
7b5ebf6272 implement TREXIO File class and change import of pytrexio module 2021-08-26 17:01:53 +03:00
4c28a4cac8 add type converters for numerical arrays in read/write Python functions 2021-08-26 13:14:46 +03:00
1dcd32ef7d add SWIG typemaps for safe API calls in single and double precision 2021-08-25 13:31:17 +03:00
ed7e3902e2 add memory-safe functions in single or double precision 2021-08-24 13:32:01 +03:00
2911e91941 make dim an optional argument in read_ functions
if dim is None - the function read all necessary dimensions from the TREXIO file
2021-08-24 12:51:43 +03:00
6f7c23aa11 add missing annotations 2021-08-21 13:13:55 +03:00
4fe86ee980 add Python docstrings for API functions
+ move definition of Fortran and Python back ends from Constant Prefixes to Back Ends section
2021-08-21 12:47:36 +03:00
5d5025ae1d get rid of _safe suffix and add dimension to read_dset_str functions 2021-08-20 13:43:15 +03:00
831973fc8e better python compilation 2021-08-18 16:28:43 +03:00
902147b45b better structure of the python directory 2021-08-18 15:40:42 +03:00
f0bccee32d single top-level import of pytrexio resolves bug with caching 2021-08-18 13:28:37 +03:00
0b223b9d6e return type cast of exit codes and back ends in C
add top-level string_of_error function in Python
2021-08-14 12:27:11 +03:00
721352cb89 add missing support for reading single string attributes 2021-08-11 16:01:36 +03:00
2be1abd571 add Python front end 2021-08-11 15:59:58 +03:00
1388ddef80 fix warnings produced during compilation of the Python extension module 2021-08-06 12:06:42 +03:00
da5a990acc add memory-safe API for numerical datasets 2021-07-28 10:19:00 +02:00
9f4176a8b6 resolve major compiler warnings produced by distutils 2021-07-27 11:06:06 +02:00
1f98604d58 add pattern matching for arrays of strings + comments 2021-07-26 18:49:26 +02:00
4faee98092 Merge branch 'master' into swig-python 2021-07-23 16:38:06 +02:00
2f876ef7cd write TREXIO version in the file if not done yet 2021-07-23 15:55:16 +02:00
ac28110696 add include guard to the trexio_private.h file 2021-07-20 12:06:44 +02:00
88e777f68b resolve complaint about undefined TREXIO_MAX_FILENAME_LENGTH and remove unused assert header 2021-07-20 11:36:23 +02:00
9fa2bc2835 disable type casting in constant definitions to access them in the target language
required because SWIG cannot handle definitions with type casting
2021-07-20 10:39:05 +02:00
411334e2ee Merge branch 'master' into unit-testing 2021-06-22 14:46:39 +02:00
07d2945333 rename TREXIO_NUM_ALREADY_EXISTS return code 2021-06-21 12:47:39 +02:00
q-posev
c9f639e0e8 fix compiler warning from MacOS 2021-06-17 20:20:46 +02:00
1a54b7fcf6 fix compiler warning for const pointers 2021-06-15 12:04:30 +02:00
ac45a937af Merge branch 'master' into add-strings 2021-06-15 11:49:42 +02:00
da188dbea0 add top-level read/write functions for single strings [fortran] 2021-06-15 11:26:03 +02:00
b92a15cce7 add top-level read/write functions for string arrays [fortran] 2021-06-15 10:20:01 +02:00
eadc2c63ac fix leaking memory [front] 2021-06-14 16:27:08 +02:00
5553e9110e add top-level read/write functions that accept arrays of strings directly 2021-06-14 15:40:26 +02:00
ae32a02652 pass max_str_len parameter also to read group_str 2021-06-14 14:36:19 +02:00
be66feec16 introduce _assert and _strarray2str helper subroutines for Fortran 2021-06-14 11:55:17 +02:00
535d7ed019 enable operation on string attributes [text] 2021-06-11 18:15:30 +02:00
2b3e79054a [WIP] working pieces for read_dset_str [text] 2021-06-10 16:34:16 +02:00
bec752361c Index OK 2021-06-10 01:49:43 +02:00
1b504d92bf Merge branch 'master' into index 2021-06-10 00:32:20 +02:00
5abac3fec2 [WIP] working write dset of strings, but with memory leak [text] 2021-06-09 18:10:59 +02:00
5c4782eb03 fix Fortran interface 2021-06-08 16:11:38 +02:00
57a83d7cf2 cleaning front end 2021-06-08 14:50:17 +02:00
36e85039d5 make file names consistent with the C test 2021-06-08 14:39:04 +02:00
f2c5a3a51b add max_str_len argument to read/write a single string 2021-06-08 10:45:43 +02:00
231fe479e7 inline with master branch 2021-06-07 11:01:37 +02:00
1ce1872916 fix missing things after merge 2021-06-04 18:42:35 +02:00
ea9ffaea43 Fix fortran tests 2021-06-04 18:14:45 +02:00
d57f2004ba Merge branch 'master' into add-strings 2021-06-04 18:09:26 +02:00
31bf17c66a Merge branch 'master' into evgeny 2021-06-04 17:30:51 +02:00