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#!/usr/bin/env python | ||
# -*- coding: utf-8 -*- | ||
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############################################################################### | ||
# # | ||
# RMG - Reaction Mechanism Generator # | ||
# # | ||
# Copyright (c) 2002-2019 Prof. William H. Green (whgreen@mit.edu), # | ||
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) # | ||
# # | ||
# Permission is hereby granted, free of charge, to any person obtaining a # | ||
# copy of this software and associated documentation files (the 'Software'), # | ||
# to deal in the Software without restriction, including without limitation # | ||
# the rights to use, copy, modify, merge, publish, distribute, sublicense, # | ||
# and/or sell copies of the Software, and to permit persons to whom the # | ||
# Software is furnished to do so, subject to the following conditions: # | ||
# # | ||
# The above copyright notice and this permission notice shall be included in # | ||
# all copies or substantial portions of the Software. # | ||
# # | ||
# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # | ||
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # | ||
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # | ||
# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # | ||
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING # | ||
# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER # | ||
# DEALINGS IN THE SOFTWARE. # | ||
# # | ||
############################################################################### | ||
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""" | ||
This script contains unit tests of the :mod:`rmgobject` module. | ||
""" | ||
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import unittest | ||
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import numpy as np | ||
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from rmgpy.rmgobject import RMGObject | ||
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################################################################################ | ||
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class PseudoRMGObject(RMGObject): | ||
""" | ||
Child class of RMG Object with more attributes for testing. | ||
""" | ||
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def __init__(self, a=None, b=None, c=None, d=None): | ||
self.a = a | ||
self.b = b | ||
self.c = c | ||
self.d = d | ||
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class TestRMGObject(unittest.TestCase): | ||
""" | ||
Contains unit tests for the RMGObject class | ||
""" | ||
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def test_save_int(self): | ||
"""Test saving ints""" | ||
obj = PseudoRMGObject(a=1, b=5) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'a': 1, 'b': 5} | ||
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self.assertEqual(result, expected) | ||
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def test_read_int(self): | ||
"""Test reading ints""" | ||
data = {'a': 1, 'b': 5} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertIsInstance(obj.a, int) | ||
self.assertEqual(obj.a, 1) | ||
self.assertIsInstance(obj.b, int) | ||
self.assertEqual(obj.b, 5) | ||
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def test_save_float(self): | ||
"""Test saving floats""" | ||
obj = PseudoRMGObject(a=1.0, b=5.0) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'a': 1.0, 'b': 5.0} | ||
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self.assertEqual(result, expected) | ||
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def test_read_float(self): | ||
"""Test reading floats""" | ||
data = {'a': 1.0, 'b': 5.0} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertIsInstance(obj.a, float) | ||
self.assertEqual(obj.a, 1.0) | ||
self.assertIsInstance(obj.a, float) | ||
self.assertEqual(obj.b, 5.0) | ||
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def test_save_str(self): | ||
"""Test saving strings""" | ||
obj = PseudoRMGObject(a='foo', b='bar') | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'a': 'foo', 'b': 'bar'} | ||
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self.assertEqual(result, expected) | ||
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def test_read_str(self): | ||
"""Test reading strings""" | ||
data = {'a': 'foo', 'b': 'bar'} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertEqual(obj.a, 'foo') | ||
self.assertEqual(obj.b, 'bar') | ||
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def test_save_empty_str(self): | ||
"""Test saving empty strings""" | ||
obj = PseudoRMGObject(a='', b='bar') | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'b': 'bar'} | ||
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self.assertEqual(result, expected) | ||
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def test_read_empty_str(self): | ||
"""Test reading empty strings""" | ||
data = {'a': '', 'b': 'bar'} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertEqual(obj.a, '') | ||
self.assertEqual(obj.b, 'bar') | ||
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def test_save_dict(self): | ||
"""Test saving dictionaries""" | ||
obj = PseudoRMGObject(a={'foo': 'bar'}) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'a': {'foo': 'bar'}} | ||
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self.assertEqual(result, expected) | ||
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def test_read_dict(self): | ||
"""Test reading dictionaries""" | ||
data = {'a': {'foo': 'bar'}} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertEqual(obj.a, {'foo': 'bar'}) | ||
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def test_save_mix(self): | ||
"""Test saving mix of builtin types""" | ||
obj = PseudoRMGObject(a=1, b=5.0, c='foobar', d={'foo': 'bar'}) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'a': 1, 'b': 5.0, 'c': 'foobar', 'd': {'foo': 'bar'}} | ||
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self.assertEqual(result, expected) | ||
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def test_read_mix(self): | ||
"""Test reading mix of builtin types""" | ||
data = {'a': 1, 'b': 5.0, 'c': 'foobar', 'd': {'foo': 'bar'}} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertIsInstance(obj.a, int) | ||
self.assertEqual(obj.a, 1) | ||
self.assertIsInstance(obj.b, float) | ||
self.assertEqual(obj.b, 5.0) | ||
self.assertEqual(obj.c, 'foobar') | ||
self.assertEqual(obj.d, {'foo': 'bar'}) | ||
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def test_save_numpy(self): | ||
"""Test saving numpy array""" | ||
obj = PseudoRMGObject(a=np.array([1.0, 2.0, 3.0])) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'a': [1.0, 2.0, 3.0]} | ||
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self.assertEqual(result, expected) | ||
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def test_save_object(self): | ||
"""Test saving another object""" | ||
obj = PseudoRMGObject(a=PseudoRMGObject(b='foobar')) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', 'a': {'class': 'PseudoRMGObject', 'b': 'foobar'}} | ||
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self.assertEqual(result, expected) | ||
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def test_read_object(self): | ||
"""Test reading an object""" | ||
data = {'a': {'class': 'PseudoRMGObject', 'b': 'foobar'}} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertIsInstance(obj.a, PseudoRMGObject) | ||
self.assertEqual(obj.a.b, 'foobar') | ||
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def test_save_object_list(self): | ||
"""Test saving a list of objects""" | ||
obj = PseudoRMGObject(a=[PseudoRMGObject(b='foobar'), PseudoRMGObject(c=5.0)]) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', | ||
'a': [{'class': 'PseudoRMGObject', 'b': 'foobar'}, | ||
{'class': 'PseudoRMGObject', 'c': 5.0}]} | ||
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self.assertEqual(result, expected) | ||
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def test_read_object_list(self): | ||
"""Test reading a list of objects""" | ||
data = {'a': [{'class': 'PseudoRMGObject', 'b': 'foobar'}, | ||
{'class': 'PseudoRMGObject', 'c': 5.0}]} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertIsInstance(obj.a, list) | ||
self.assertEqual(len(obj.a), 2) | ||
self.assertIsInstance(obj.a[0], PseudoRMGObject) | ||
self.assertEqual(obj.a[0].b, 'foobar') | ||
self.assertIsInstance(obj.a[1], PseudoRMGObject) | ||
self.assertEqual(obj.a[1].c, 5.0) | ||
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def test_save_empty_list(self): | ||
"""Test saving an empty list""" | ||
obj = PseudoRMGObject(a=[PseudoRMGObject(b='foobar'), PseudoRMGObject(c=5.0)], b=[]) | ||
result = obj.as_dict() | ||
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expected = {'class': 'PseudoRMGObject', | ||
'a': [{'class': 'PseudoRMGObject', 'b': 'foobar'}, | ||
{'class': 'PseudoRMGObject', 'c': 5.0}], | ||
'b': []} | ||
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self.assertEqual(result, expected) | ||
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def test_read_empty_list(self): | ||
"""Test reading an smpty list""" | ||
data = {'a': [{'class': 'PseudoRMGObject', 'b': 'foobar'}, | ||
{'class': 'PseudoRMGObject', 'c': 5.0}], | ||
'b': []} | ||
obj = PseudoRMGObject() | ||
obj.make_object(data, class_dict={'PseudoRMGObject': PseudoRMGObject}) | ||
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self.assertIsInstance(obj.a, list) | ||
self.assertEqual(len(obj.a), 2) | ||
self.assertIsInstance(obj.a[0], PseudoRMGObject) | ||
self.assertEqual(obj.a[0].b, 'foobar') | ||
self.assertIsInstance(obj.a[1], PseudoRMGObject) | ||
self.assertEqual(obj.a[1].c, 5.0) | ||
self.assertEqual(obj.b, []) | ||
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################################################################################ | ||
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if __name__ == '__main__': | ||
unittest.main(testRunner=unittest.TextTestRunner(verbosity=2)) |