Commit Graph

18 Commits

Author SHA1 Message Date
IAlibay
dd7434fc37 remove unused import and fix error test 2020-07-15 18:26:26 +01:00
IAlibay
d70b1e6caa Removes unecessary tests 2020-07-15 18:05:34 +01:00
IAlibay
720a209440 streamlines read_molecule_file logic 2020-07-15 17:44:47 +01:00
IAlibay
4b0104cea9 stringio tests 2020-07-15 13:50:24 +01:00
IAlibay
0b57c63bbe close the file 2020-07-14 19:01:12 +01:00
IAlibay
24ea1ea835 Adds some basic file-like object tests 2020-07-14 18:55:47 +01:00
Nathan Baker
0e4f565c90 Remove version number from tests.
Tests aren't version-dependent.
2020-06-17 15:24:20 -07:00
Nathan Baker
9b59d924b2 Make PROPKA input file generation optional.
Fixes https://github.com/jensengroup/propka-3.1/issues/51.
2020-05-31 10:26:56 -07:00
Nathan Baker
84846aad8c Resolve cyclic import problem.
Fixes https://github.com/jensengroup/propka-3.1/issues/49

Moved I/O into higher level of of code; should make
issue https://github.com/jensengroup/propka-3.1/issues/51
easier to resolve
2020-05-30 12:01:30 -07:00
Nathan Baker
87347a7d60 Modernize print statements with str.format() 2020-05-28 20:31:03 -07:00
Nathan Baker
36bea44a4d Clean up line breaks in tests.
See https://github.com/jensengroup/propka-3.1/issues/43
2020-05-25 20:35:54 -07:00
Nathan Baker
75cdf0ea04 De-lint tests. 2020-05-25 14:44:53 -07:00
Nathan Baker
95e132e520 De-lint hybrid36.py 2020-05-24 11:21:55 -07:00
Nathan Baker
73f0ce47af Replace pandas with numpy.testing
Addresses https://github.com/jensengroup/propka-3.1/pull/36#discussion_r429104797
2020-05-23 08:40:17 -07:00
Nathan Baker
1b0ad999b1 Remove unnecessary exception catching.
Fixes https://github.com/jensengroup/propka-3.1/pull/36#discussion_r429063049
2020-05-23 08:06:54 -07:00
Nathan Baker
2266e0a102 Consistent test naming.
See https://github.com/jensengroup/propka-3.1/pull/36#discussion_r429099054
2020-05-22 20:55:58 -07:00
Nathan Baker
f13d3d8121 PROPKA testing working with pytest. 2020-05-21 15:50:23 -07:00
Nathan Baker
393f5cee50 Rename "Tests" directory for consistency. 2020-05-21 10:39:08 -07:00