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'''
Infrastructure for PyMOL testing
Usage:
pymol testing.py --run all Run all tests
pymol testing.py --run some/file.py Run tests from given files
PyMOL test cases should subclass pymol.testing.PyMOLTestCase and provide
either one "runTest" method or at least one "test*" method.
'''
from __future__ import print_function
import os
import sys
import pymol
import collections
import platform
import inspect
import pathlib
try:
WindowsError
except NameError:
WindowsError = None
try:
basestring
except NameError:
basestring = (str, bytes)
def compareListFunction(x, y):
return collections.Counter(x) == collections.Counter(y)
def import_from_file(filename: str, name: str = None):
import importlib
if name is None:
try:
name = os.path.relpath(filename).replace('.', '_')
except ValueError:
name = os.path.basename(filename).replace('.', '_')
for suffix in importlib.machinery.all_suffixes():
if filename.endswith(suffix):
break
else:
raise ValueError(f"invalid extension: {filename}")
loader = importlib.machinery.SourceFileLoader(name, filename)
return loader.load_module()
if __name__ != 'pymol.testing':
# pymol foo.py -> __name__ == 'pymol'
# pymol -r foo.py -> __name__ == '__main__'
this_path = pathlib.Path(inspect.currentframe().f_code.co_filename)
test_utils = this_path.parent.joinpath('tests', 'helpers', 'test_utils.py')
pymol.testing = import_from_file(str(this_path), 'pymol.testing')
pymol.test_utils = import_from_file(str(test_utils), 'pymol.test_utils')
pymol.testing.cli()
else:
import uuid
import time
import unittest
import itertools
import tempfile
import argparse
import pytest
try:
import Image
except ImportError:
from PIL import Image
sys.modules['Image'] = Image
from pymol import cmd
from pymol.invocation import options
get_capabilities = getattr(pymol, 'get_capabilities', lambda: ())
try:
from pymol.undo import UndoMode
except ImportError:
pass
def tupleize_version(strversion):
r = []
for x in strversion.split('.'):
try:
r.append(int(x))
except ValueError:
break
return tuple(r)
PYMOL_VERSION = cmd.get_version()
PYMOL_VERSION_TUPLE = tupleize_version(PYMOL_VERSION[0])
PYMOL_EDU = 'Edu' in PYMOL_VERSION[0]
is_win64bit = "Windows" in platform.system() and sys.maxsize > 2**32
usage = 'pymol [pymol options] %s [test options]' % (os.path.basename(__file__))
parser = argparse.ArgumentParser("pymol", usage=usage)
parser.add_argument('--xml', action='store_true')
parser.add_argument('filenames', nargs='*', default=[])
parser.add_argument('--out', default=sys.stdout)
parser.add_argument('--offline', action='store_true')
parser.add_argument('--no-mmlibs', action='store_true', default=True)
parser.add_argument('--with-mmlibs', action='store_false', dest='no_mmlibs')
parser.add_argument('--no-undo', action='store_true', default=True)
parser.add_argument('--with-undo', action='store_false', dest='no_undo')
parser.add_argument('--verbosity', type=int, default=2)
have_dash_dash = __file__.startswith(sys.argv[0]) or '--run' in sys.argv
cliargs = parser.parse_known_args(None if have_dash_dash else [])[0]
run_all = False
max_threads = int(cmd.get('max_threads'))
cmd.set('use_shaders')
use_shaders = cmd.get_setting_boolean('use_shaders')
pymol_test_dir = os.path.abspath(os.path.dirname(__file__))
deferred_unlink = []
deferred_rmtree = []
class requires_version(object):
'''
Decorator for restricting to PyMOL version
'''
def __init__(self, version):
self.version = version
def __call__(self, func):
if isinstance(self.version, int):
test = self.version <= PYMOL_VERSION[2]
elif isinstance(self.version, float):
test = self.version <= PYMOL_VERSION[1]
else:
test = tupleize_version(self.version) <= PYMOL_VERSION_TUPLE
if not test:
return unittest.skip('version %s' % (self.version))(func)
return func
class requires(object):
'''
Decorator for test methods which only should be executed
under certain conditions.
Example:
>>> @requires('gui')
>>> def testSomething(self):
>>> do_something()
'''
def __init__(self, *flags):
self.flags = flags
def __call__(self, func):
flags = dict.fromkeys(self.flags, True)
flags_known = []
def hasflag(flag):
flags_known.append(flag)
return flags.pop(flag, False)
if hasflag('shaders') and not use_shaders:
return unittest.skip('shaders')(func)
if hasflag('gui') and options.no_gui:
return unittest.skip('no gui')(func)
if hasflag('incentive') and not options.incentive_product:
return unittest.skip('no incentive')(func)
if hasflag('no_edu') and PYMOL_EDU:
return unittest.skip('no edu')(func)
if hasflag('network') and cliargs.offline:
return unittest.skip('no network')(func)
if hasflag('mmlibs') and cliargs.no_mmlibs:
return unittest.skip('no mmlibs')(func)
if hasflag('undo') and cliargs.no_undo:
return unittest.skip('no undo')(func)
if hasflag('no_run_all') and run_all:
return unittest.skip('skip with all')(func)
if hasflag('multicore') and max_threads <= 1:
return unittest.skip('no multicore')(func)
if hasflag('properties') and not options.incentive_product:
return unittest.skip('no pymol.properties')(func)
if hasflag('freemol'):
if PYMOL_VERSION_TUPLE >= (2, 5):
return unittest.skip('freemol not used anymore')(func)
if not options.incentive_product:
return unittest.skip('no freemol')(func)
if hasflag('no_win64bit') and is_win64bit:
return unittest.skip('skip 64bit')(func)
if hasflag('multi_undo'):
if not 'multi_undo' in get_capabilities():
return unittest.skip('skip multiundo')(func)
else:
def reset_undo_decorator(func):
def wrapper(*args, **kwargs):
cmd.undo_mode(UndoMode.Disable) # force reset
cmd.undo_mode(UndoMode.Enable)
func(*args, **kwargs)
cmd.undo_mode(UndoMode.Disable)
return wrapper
return reset_undo_decorator(func)
if flags:
raise ValueError('unknown flags: ' + ', '.join(flags)
+ '; choices: ' + ', '.join(sorted(flags_known)))
return func
class mktemp(object):
'''
Context manager which returns a temporary filename and
deletes the file in the end, if it exists.
'''
def __init__(self, suffix=''):
self.filename = tempfile.mktemp(suffix)
def __enter__(self):
return self.filename
def __exit__(self, exc_type, exc_value, traceback):
if os.path.exists(self.filename):
try:
os.remove(self.filename)
except WindowsError:
deferred_unlink.append(self.filename)
class mkdtemp(object):
'''
Context manager for temporary directory
'''
def __init__(self):
self.name = tempfile.mkdtemp()
def __enter__(self):
return self.name
def __exit__(self, exc_type, exc_value, traceback):
import shutil
if os.path.exists(self.name):
try:
shutil.rmtree(self.name)
except WindowsError:
deferred_rmtree.append(self.name)
class foreachList(list):
pass
class foreach(object):
'''
Decorator to call a method with arguments.
If you have multiple decorators, this one must be the first (outer
most) one because it does not return a function and thus cannot be
further processed by other decorators.
Examples:
>>> @testing.foreach(1, 2, 3)
>>> @someotherdecorator
>>> def testSomething(self, a):
>>> print a
Will print:
... 1
... 2
... 3
>>> @testing.foreach((1,'A'), (2,'B'))
>>> def testSomething(self, a, b):
>>> print a, b
Will print:
... 1 A
... 2 B
>>> @testing.foreach.zip((1,2), ('A','B'))
>>> def testSomething(self, a, b):
>>> print a, b
Will print:
... 1 A
... 2 B
>>> @testing.foreach.product((1,2), ('A','B'))
>>> def testSomething(self, a, b):
>>> print a, b
Will print:
... 1 A
... 1 B
... 2 A
... 2 B
'''
def __init__(self, *args):
self.args = args
def __call__(self, func):
r = foreachList()
for args in self.args:
if not isinstance(args, (tuple, list)):
args = (args,)
def wrapper(self, a=args):
return func(self, *a)
r.append([wrapper, args]) # need to pass the arguments in to set test name
return r
@classmethod
def zip(cls, *args):
args = zip(*args)
return cls(*args)
@classmethod
def product(cls, *args):
args = itertools.product(*args)
return cls(*args)
class PyMOLTestCaseMeta(type):
'''
Metaclass for PyMOLTestCase. Plays together with the foreach decorator.
'''
def __init__(self, *a, **k):
if self.__module__ == 'pymol.testing':
return
for k, v in list(vars(self).items()):
if isinstance(v, foreachList):
for c, fargs in enumerate(v, 1):
f, args = fargs
# set test name to function name plus arguments (delimited by '_')
setattr(self, '%s__%s' % (k, '_'.join(str(e) for e in args)), f)
delattr(self, k)
class TimingCM(object):
'''
Timing context manager
'''
def __init__(self, test, msg=None, max=None):
self.test = test
self.msg = msg
self.max = max
def __enter__(self):
self.start = time.time()
def __exit__(self, exc_type, exc_value, traceback):
if exc_type:
return
delta = time.time() - self.start
if self.max and delta > self.max:
msg = 'slow: %fs > %fs' % (delta, self.max)
if self.msg:
msg = self.msg + ', ' + msg
raise AssertionError(msg)
self.test.timings.append((self.msg, delta))
class PyMOLTestCase(PyMOLTestCaseMeta("Base", (unittest.TestCase,), {})):
'''
Common PyMOL unit tests should subclass this.
Each tests starts with a clean (reinitialized) PyMOL session and
from the directory where the file is located.
'''
if sys.version_info.major > 2:
assertEquals = unittest.TestCase.assertEqual
assertItemsEqual = unittest.TestCase.assertCountEqual
def setUp(self):
self.oldcwd = os.getcwd()
cmd.reinitialize()
cmd.viewport(640, 480)
if cliargs.no_undo:
cmd.set('suspend_undo', updates=0)
cwd = os.path.dirname(inspect.getfile(type(self)))
os.chdir(cwd)
cmd.feedback('push')
cmd.feedback('disable', 'all', 'details actions')
self.timings = []
def tearDown(self):
cmd.feedback('pop')
os.chdir(self.oldcwd)
def _getColorTuple(self, color):
if isinstance(color, (tuple, list)):
return tuple(color)
return cmd.get_color_tuple(color)
def assertColorEqual(self, color1, color2):
self.assertEqual(self._getColorTuple(color1), self._getColorTuple(color2))
def assertImageEqual(self, img1, img2=None, delta=0, count=0, msg='images not equal'):
'''
Test if two images are the same.
img1, img2 can be either filenames, Image (PIL) objects
or numpy arrays.
delta > 0 is for inexact match (image data is 0..255 int)
count is the number of allowed pixel mismatches.
'''
import numpy
if isinstance(img1, basestring) and not \
os.path.exists(img1):
print(' Generating reference img:', img1)
self.png(img1)
return
data1 = self.get_imagearray(img1)
data2 = self.get_imagearray(img2)
self.assertEqual(data1.shape, data2.shape,
'image shapes not equal ')
diff = abs(data1 - data2)
noff = numpy.sum(diff > delta)
if noff > count * data1.shape[-1]:
filename = tempfile.mktemp('diff.png')
diffimg = Image.fromarray((255 - diff.reshape(data1.shape)).astype(numpy.uint8))
diffimg.save(filename)
self.assertTrue(False, msg + ' (%d) %s' % (noff, filename))
def assertImageNotEqual(self, img1, img2=None, delta=0, count=0, msg='images equal'):
import numpy
data1 = self.get_imagearray(img1)
data2 = self.get_imagearray(img2)
diff = abs(data1 - data2)
noff = numpy.sum(diff > delta)
if noff <= count * data1.shape[-1]:
raise self.failureException(msg)
def imageCountColors(self, img, ignorealpha=False):
dim = img.shape[-1]
if dim == 4 and ignorealpha:
dim = 3
img = img[...,:dim]
colors = set(tuple(row) for row in img.reshape((-1, dim)).tolist())
return len(colors)
def _imageHasColor(self, color, img, delta=0):
if isinstance(color, str):
color = [int(v*255) for v in cmd.get_color_tuple(color)]
else:
color = list(color)
dim = img.shape[-1]
if dim == len(color) + 1:
dim -= 1
img = img[...,:dim]
diff = abs(img.reshape((-1, dim)) - color)
return (diff - delta <= 0).prod(1).sum()
def save_imagearray(self, img, filename=None):
if not filename:
filename = tempfile.mktemp('.png')
img = Image.fromarray(img)
img.save(filename)
return filename
def _assertImageHasColor(self, test, color, img, delta, msg):
import numpy
img = self.get_imagearray(img)
has_color = self._imageHasColor(color, img, delta)
if bool(has_color) != test:
filename = self.save_imagearray(img)
self.assertTrue(False, msg + ', ' + filename)
def assertImageHasColor(self, color, img=None, delta=0, msg=''):
if not msg:
msg = 'no such color: ' + str(color)
self._assertImageHasColor(True, color, img, delta, msg)
def assertImageHasNotColor(self, color, img=None, delta=0, msg=''):
if not msg:
msg = 'color found: ' + str(color)
self._assertImageHasColor(False, color, img, delta, msg)
def assertImageHasTransparency(self, img=None):
img = self.get_imagearray(img)
self.assertTrue((img[:,:,3] < 255).any())
def assertImageHasNoTransparency(self, img=None):
img = self.get_imagearray(img)
if img.shape[-1] == 4:
self.assertTrue((img[:,:,3] == 255).all())
def assertArrayEqual(self, a1, a2, delta=0, msg='arrays not equal', _not=False):
'''
Test if two (multi-)dimensional numeric arrays are (almost) equal.
'''
import numpy
a1 = numpy.asarray(a1)
a2 = numpy.asarray(a2)
self.assertEqual(a1.shape, a2.shape, msg + ' (shape)')
self.assertEqual(not _not, numpy.allclose(a1, a2, 0, delta), msg)
def assertArrayNotEqual(self, a1, a2, delta=0, msg='arrays equal'):
return self.assertArrayEqual(a1, a2, delta, msg, True)
def timing(self, *args, **kwargs):
'''
Timing context manager for feedback and maximum runtime assertion.
Will show the runtime in seconds next to the OK message if tests
are run with verbose=2.
Optional arguments:
msg = string: short label
max = float: maximum allowed runtime in seconds
Example:
>>> with self.timing():
>>> so_something()
>>> # maximum runtime assertion
>>> with self.timing(max=3.0):
>>> so_something()
'''
return TimingCM(self, *args, **kwargs)
def datafile(self, filename):
'''
Return path to filename, the current directory and the data
directory are searched for filename.
'''
if os.path.exists(filename):
return filename
return os.path.join(pymol_test_dir, 'data', filename)
def get_imagearray(self, img=None, **kwargs):
'''
Get bitmap data as a numpy array.
img can be either a filename or a Image (PIL) object.
'''
if PYMOL_EDU and (options.no_gui or 'ray' in kwargs):
self.skipTest("edu no-ray")
import numpy
if img is None:
with mktemp('.png') as filename:
self.png(filename, **kwargs)
return self.get_imagearray(filename)
if isinstance(img, numpy.ndarray):
return img
if isinstance(img, basestring):
img = Image.open(img)
if not isinstance(img, Image.Image):
raise TypeError('img must be filename or Image instance')
return numpy.array(img.getdata(),
numpy.uint8).reshape((img.size[1], img.size[0], -1))
def png(self, filename, *args, **kwargs):
'''
Save image to filename, with antialias=0.
'''
if 'multi_undo' in get_capabilities():
with cmd.UndoPauseCM():
cmd.set('antialias', 0)
else:
cmd.set('antialias', 0)
cmd.png(filename, *args, **kwargs)
cmd.draw()
def ambientOnly(self):
cmd.set('ambient', 1)
cmd.set('antialias', 0)
cmd.set('light_count', 1)
cmd.set('depth_cue', 0)
# needed for open-source
cmd.set('reflect', 0)
cmd.set('direct', 0)
class PyMOLTestResult(unittest.runner.TextTestResult):
def addSuccess(self, test):
if not (self.showAll and test.timings):
return super(PyMOLTestResult, self).addSuccess(test)
unittest.result.TestResult.addSuccess(self, test)
msg = 'ok (%s)' % ', '.join(
('%s: %.3fs' % (m, t) if m else '%.3fs' % t)
for (m, t) in test.timings)
self.stream.writeln(msg)
filename = os.getenv("PYMOLTESTTIMINGS",
os.path.join(pymol_test_dir, "timings.tab"))
if filename in ("", "none"):
return
with open(filename, "a") as handle:
for i, (m, t) in enumerate(test.timings):
version = cmd.get_version()
buildinfo = version[3:] or [0, "", 0]
print('\t'.join([
'%f' % time.time(),
'%012x' % uuid.getnode(),
'%f' % t,
type(test).__name__ + '.' + test._testMethodName,
str(m or i),
version[0],
buildinfo[1],
'%d' % buildinfo[2],
platform.platform(),
platform.node(),
]), file=handle)
def run_testfiles(filenames='all', verbosity=2, out=sys.stderr, **kwargs):
'''
DESCRIPTION
Run one or multiple unit test files as a test suite.
USAGE
run_testfiles file1 file2 ... [, verbosity [, out ]]
'''
if filenames in ('all', ['all']):
global run_all
run_all = True
filenames = pathlib.Path(pymol_test_dir, 'tests').glob('**/*.py')
else:
filenames = [pathlib.Path(f).resolve() for f in filenames]
unittest_files = []
pytest_files = []
# Glob all files
filenames = [f for filename in filenames
for f in (filename.glob('**/*.py')
if filename.is_dir() else [filename])]
# Separate pytest files from unittest files
for path in filenames:
if path.stem.startswith('test_') and \
path.parent.stem not in ("properties", "settings"):
pytest_files.append(path)
continue
unittest_files.append(path)
# Run unittest files
suite = unittest.TestSuite()
for path in unittest_files:
filename = str(path)
mod = import_from_file(filename)
# hacky: register working directory with test cases
dirname = os.path.abspath(os.path.dirname(filename))
suite.addTest(unittest.defaultTestLoader
.loadTestsFromModule(mod))
if not 'xml' in kwargs:
kwargs['xml'] = False
if kwargs['xml']:
import xmlrunner
testresult = xmlrunner.XMLTestRunner(output=out, verbosity=int(verbosity)).run(suite)
else:
if isinstance(out, str):
out = open(out, 'w')
testresult = unittest.TextTestRunner(stream=out,
resultclass=PyMOLTestResult, verbosity=int(verbosity)).run(suite)
# Run pytest files if any
pytest_nfail = pytest.main(['-v', *map(str, pytest_files)]) if pytest_files else 0
while deferred_unlink:
os.unlink(deferred_unlink.pop())
while deferred_rmtree:
import subprocess
subprocess.call(['rd', '/s', '/q', deferred_rmtree.pop()], shell=True)
return len(testresult.errors) + len(testresult.failures) + pytest_nfail
def cli():
'''
Test suite client application.
'''
if not cliargs.filenames:
# silently do nothing
return
nfail = run_testfiles(**vars(cliargs))
cmd.quit(nfail)
cmd.extend('run_testfiles', run_testfiles)
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