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# -*- coding: utf-8 -*-
#
# Copyright (c) 2017, the cclib development team
#
# This file is part of cclib (http://cclib.github.io) and is distributed under
# the terms of the BSD 3-Clause License.
"""Unit tests for utilities."""
import unittest
from cclib.parser import utils
class ConvertorTest(unittest.TestCase):
def test_convertor(self):
self.assertEqual("%.3f" % utils.convertor(8.0, "eV", "cm-1"),
"64524.354")
class PeriodicTableTest(unittest.TestCase):
def setUp(self):
self.t = utils.PeriodicTable()
def test_periodictable(self):
self.assertEqual(self.t.element[6], 'C')
self.assertEqual(self.t.number['C'], 6)
self.assertEqual(self.t.element[44], 'Ru')
self.assertEqual(self.t.number['Au'], 79)
class WidthSplitterTest(unittest.TestCase):
def test_default(self):
"""Does the splitter remove empty fields by default properly?"""
fixed_splitter = utils.WidthSplitter((4, 3, 5, 6, 10, 10, 10, 10, 10, 10))
line_full = " 60 H 10 s 0.14639 0.00000 0.00000 -0.00000 -0.00000 0.00000"
line_truncated = " 1 C 1 s -0.00000 -0.00000 0.00000"
ref_full = ['60', 'H', '10', 's', '0.14639', '0.00000', '0.00000', '-0.00000', '-0.00000', '0.00000']
ref_truncated = ['1', 'C', '1', 's', '-0.00000', '-0.00000', '0.00000']
tokens_full = fixed_splitter.split(line_full)
tokens_truncated = fixed_splitter.split(line_truncated)
self.assertEqual(ref_full, tokens_full)
self.assertEqual(ref_truncated, tokens_truncated)
def test_no_truncation(self):
"""Does the splitter return even the empty fields when asked?"""
fixed_splitter = utils.WidthSplitter((4, 3, 5, 6, 10, 10, 10, 10, 10, 10))
line = " 1 C 1 s -0.00000 -0.00000 0.00000"
ref_not_truncated = ['1', 'C', '1', 's', '-0.00000', '-0.00000', '0.00000', '', '', '']
tokens_not_truncated = fixed_splitter.split(line, truncate=False)
self.assertEqual(ref_not_truncated, tokens_not_truncated)
if __name__ == "__main__":
unittest.main()
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