tl;dr: Is there a way to fully stop and restart PyMOL "sessions" using the API
to avoid crossover between unit tests?
Hi everyone -
I'm working on unit testing for a plugin and have been trying to figure out how
to test some functionality from within a PyMOL session. I have a partially
working solution, but the problem arises that I can't adequately reinitialize
PyMOL between tests, and sometimes end up getting carryover between tests.
Here's a working example of this behavior using the built-in `unittest` testing
framework:
```
import unittest
import __main__
__main__.pymol_argv = ['pymol','-qkc']
import pymol
from pymol import cmd
class TestPymolApi(unittest.TestCase):
def setUp(self):
pymol.finish_launching()
cmd.reinitialize()
def tearDown(self):
#cmd.quit() # ***this line hangs if uncommented***
pass
def test_1(self):
'''No value for stored.foo.'''
from pymol import stored
with self.assertRaises(AttributeError):
stored.foo
def test_2(self):
'''Sets a value for stored.foo.'''
from pymol import stored
stored.foo = 'bar'
#def test_3(self):
# '''Fails due to carryover from test_2.'''
# self.test_1()
if __name__ == '__main__':
unittest.main()
```
Running `python basic_tests.py` yields the following output (each dot
represents a successful test):
```
$ python basic_tests.py
..
----------------------------------------------------------------------
Ran 2 tests in 0.043s
OK
```
But if I uncomment `test_3` and re-run (the tests are executed in standard
string-sorting order by function name), it fails because the value of
`stored.foo` is retained even after reinitialization after `test_2`. (The
`setUp` and `tearDown` functions are run before and after each test,
respectively.)
```
$ python basic_tests.py
..F
======================================================================
FAIL: test_3 (__main__.TestPymolApi)
----------------------------------------------------------------------
Traceback (most recent call last):
File "basic_tests.py", line 32, in test_3
self.test_1()
File "basic_tests.py", line 24, in test_1
stored.foo
AssertionError: AttributeError not raised
----------------------------------------------------------------------
Ran 3 tests in 0.110s
FAILED (failures=1)
```
Maybe this is a bug in `cmd.reinitialize()`? If not, it is unexpected behavior
(at least in my opinion), and could be improved.
Anyway, this is why I'm trying to figure out another way to reset PyMOL using
the API. So if I then uncomment the `cmd.quit()` line to try to get complete
shut down and restart of PyMOL, unittest hangs on the tearDown of the first
test and I have to interrupt the process with <Ctrl-C>.
I found an old
thread<https://sourceforge.net/p/pymol/mailman/message/26469705/> where Jason
mentioned using (admittedly experimental) `pymol2.PyMOL().start/stop()` to,
well, start and stop PyMOL sessions. However, in Open Source PyMOL 1.8.2.1, it
appears to be broken:
```
$ python
>>> import pymol2
>>> p = pymol2.PyMOL()
>>> p.start()
Segmentation fault: 11
```
So, again, my question is: Is there any way to reliably start and stop multiple
PyMOL sessions or completely reset it using the API?
Looking forward any suggestions or further discussion.
Cheers,
Jared
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