PyMOL Testing Framework

This is a python unittest based testing framework for PyMOL.

Feel free to clone this repository and contribute. https://help.github.com/articles/fork-a-repo

How to Run Tests

From the system command line:

pymol -q /path/to/pymol-testing/runall.pml

From the pymol command line:

PyMOL> run /path/to/pymol-testing/testing.py
PyMOL> run_testfiles path/to/*.py

How to write Tests

A test is a method of a pymol.testing.PyMOLTestCase subclass and is named
with a "test" prefix. Test files go into subdirectories like "api/" or "performance/". Each test method will start

• with a clean PyMOL session (does reinitialize)
• from the directory of its file (does os.chdir)

Decorators

• @testing.requires(keyword): Takes one or more keywords and skips the test, if the requirement is not met. Valid keywords include: gui, incentive, network, no_run_all, multicore
• @testing.foreach(args1, args2, ...): Decorates a test method which takes arguments

Context Managers

• PyMOLTestCase.timing(max=sec): Gives feedback on running time and makes the test fail if it takes longer than max seconds.
• PyMOLTestCase.mktemp(): Generates a temporary file name and deletes the file at context exit.

Assertion Methods

In addition to the standard assertion methods of the unittest.TestCase class, these assertion methods are currently available:

• assertImageEqual(img1, img2=None, delta=0): Takes two images (as filenames, PIL objects or numpy arrays). If only one image is given, grab the current PyMOL scene as second imagae
• assertImageHasColor(color, img=None, delta=0): Takes a color name, RGB or RGBA color tuple and an image (or grab the current scene) and check if it contains the given color
• assertImageHasTransparency
• assertImageHasNoTransparency
• assertColorEqual
• assertArrayEqual

Code Example

from pymol import cmd, testing, stored

class TestSomething(testing.PyMOLTestCase):

    def testFoo(self):
        cmd.fragment('ala')
        cmd.show_as('sticks')
        cmd.orient()
        self.assertImageEqual('ref-foo.png')

    @testing.requires('gui')
    def testBar(self):
        cmd.some_opengl_feature()