Matvey Adzhigirey
8084b31393
Added --titrate_only option and tests for it.
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This option makes it possible for PROPKA to treat only a subset of protein
residues as titratable.
2014-08-20 20:14:38 -04:00
Mike Beachy
61bb875248
add test framework
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- add the ability to run tests from the top level directory via
'python setup.py test'
- translate runtest.py into a test that runs under this framework
- add a __main__ section to Tests/runtest.py and change its indent to 4
spaces; make no other changes to this script
2014-02-22 17:51:04 -05:00
Oliver Beckstein
df9cbc04ec
adjusted test script: all tests pass
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* renamed scripts/propka.py to propka31.py so that it can be run
without import issues
* ran the tests and no difference to the fixtures was detected
2013-07-25 11:57:01 -07:00
Oliver Beckstein
695fbb4fbe
use generic she-bang instead of hard-coded python3
2013-07-24 18:55:03 -07:00
Matvey Adzhigirey
2079259884
Improve Python 2 compatability with "future" print_function.
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Use python3 version of the print function when running
under python2. Also added "from __future__ import division"
to a few more module files.
2012-12-20 11:29:41 -05:00
Matvey Adzhigirey
cfab0bbe69
Backported PROPKA code base to Python2.
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Now this same code can be run with either Python2.7 or Python3.
2012-12-20 11:29:15 -05:00
Jimmy Charnley Kromann, lat13
6886db9697
unittesting and readme update
2012-11-19 18:36:24 +01:00
