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#!/usr/bin/env python
# -*- coding: utf-8 -*-
#
# Copyright 2018 João Pedro Rodrigues
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
"""
Unit Tests for `pdb_mkensemble`.
"""
import os
import sys
import unittest
from .config import data_dir
from .utils import OutputCapture
class TestTool(unittest.TestCase):
"""
Generic class for testing tools.
"""
def setUp(self):
# Dynamically import the module
name = 'pdbtools.pdb_mkensemble'
self.module = __import__(name, fromlist=[''])
def exec_module(self):
"""
Execs module.
"""
with OutputCapture() as output:
try:
self.module.main()
except SystemExit as e:
self.retcode = e.code
self.stdout = output.stdout
self.stderr = output.stderr
return
def test_default(self):
"""$ pdb_mkensemble data/dummy.pdb"""
# Simulate input
sys.argv = ['', os.path.join(data_dir, 'dummy.pdb'),
os.path.join(data_dir, 'dummy.pdb')]
# Execute the script
self.exec_module()
# Validate results
self.assertEqual(self.retcode, 0)
self.assertEqual(len(self.stdout), 385)
self.assertEqual(len(self.stderr), 0)
def test_default_multiple(self):
"""$ pdb_mkensemble data/dummy.pdb x20"""
# Simulate input
args = [os.path.join(data_dir, 'dummy.pdb') for _ in range(20)]
sys.argv = [''] + args
# Execute the script
self.exec_module()
# Validate results
self.assertEqual(self.retcode, 0)
self.assertEqual(len(self.stdout), 3823)
self.assertEqual(len(self.stderr), 0)
# Validate MODEL lines
model_no = [
int(line[10:14])
for line in self.stdout
if line.startswith('MODEL')
]
model_no = sorted(set(model_no))
n_models = len(model_no)
self.assertEqual(n_models, 20)
self.assertEqual(model_no, list(range(1, 21)))
def test_file_not_found(self):
"""$ pdb_mkensemble not_existing.pdb"""
# Error (file not found)
afile = os.path.join(data_dir, 'not_existing.pdb')
sys.argv = ['', afile]
# Execute the script
self.exec_module()
self.assertEqual(self.retcode, 1) # exit code is 1 (error)
self.assertEqual(len(self.stdout), 0) # nothing written to stdout
self.assertEqual(self.stderr[0][:22],
"ERROR!! File not found") # proper error message
@unittest.skipIf(os.getenv('SKIP_TTY_TESTS'), 'skip on GHA - no TTY')
def test_helptext(self):
"""$ pdb_mkensemble"""
sys.argv = ['']
# Execute the script
self.exec_module()
self.assertEqual(self.retcode, 1)
self.assertEqual(len(self.stdout), 0) # no output
self.assertEqual(self.stderr, self.module.__doc__.split("\n")[:-1])
if __name__ == '__main__':
from config import test_dir
mpath = os.path.abspath(os.path.join(test_dir, '..'))
sys.path.insert(0, mpath) # so we load dev files before any installation
unittest.main()
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