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import os
import unittest
from pathlib import Path
from finalcif.cif.cif_file_io import CifContainer
from finalcif.tools.shred import ShredCIF
class TestShedCifWithData(unittest.TestCase):
def setUp(self) -> None:
self.cif = CifContainer(Path('test-data/p21c.cif'))
self.shred = ShredCIF(self.cif, ui=None)
self.outfile_hkl = self.cif.finalcif_file.with_suffix('.hkl')
self.outfile_res = self.cif.finalcif_file.with_suffix('.res')
def tearDown(self) -> None:
self.outfile_hkl.unlink(missing_ok=True)
self.outfile_res.unlink(missing_ok=True)
def test_no_shred(self):
self.assertEqual(self.outfile_hkl.exists(), False)
self.assertEqual(self.outfile_res.exists(), False)
self.assertEqual(self.shred._statusbar.current_message, '')
def test_shred(self):
self.shred.shred_cif()
self.assertEqual(self.outfile_res.exists(), True)
self.assertEqual(self.outfile_hkl.exists(), True)
self.assertEqual(self.shred._statusbar.current_message,
'\nFinished writing data to p21c-finalcif.res \nand p21c-finalcif.hkl.')
class TestShedCifNoData(unittest.TestCase):
def setUp(self) -> None:
self.cif = CifContainer(Path('test-data/1000007.cif'))
self.shred = ShredCIF(self.cif, ui=None)
self.outfile_hkl = self.cif.finalcif_file.with_suffix('.hkl')
self.outfile_res = self.cif.finalcif_file.with_suffix('.res')
def tearDown(self) -> None:
self.outfile_hkl.unlink(missing_ok=True)
self.outfile_res.unlink(missing_ok=True)
def test_no_shred(self):
self.assertEqual(self.outfile_hkl.exists(), False)
self.assertEqual(self.outfile_res.exists(), False)
self.assertEqual(self.shred._statusbar.current_message, '')
def test_shred(self):
self.shred.shred_cif()
self.assertEqual(self.outfile_res.exists(), False)
self.assertEqual(self.outfile_hkl.exists(), False)
self.assertEqual(self.shred._statusbar.current_message,
'No .res and .hkl file data found!')
class TestExport(unittest.TestCase):
def setUp(self) -> None:
self.cif = CifContainer(Path('tests/examples/work/cu_BruecknerJK_153F40_0m.cif'))
self.outfile_hkl = self.cif.finalcif_file.with_suffix('.hkl')
self.outfile_res = self.cif.finalcif_file.with_suffix('.res')
self.shred = ShredCIF(self.cif, ui=None)
self.shred.shred_cif()
def tearDown(self):
self.outfile_hkl.unlink(missing_ok=True)
self.outfile_res.unlink(missing_ok=True)
def test_export_hkl(self):
"""
Shredcif test
"""
test_res_file = Path('tests/examples/work/test_hkl_file.txt')
self.assertEqual(test_res_file.read_text().splitlines(keepends=True),
self.outfile_hkl.read_text().splitlines(keepends=True))
def test_export_res(self):
test_res_file = Path('tests/examples/work/test_res_file.txt')
self.assertEqual(test_res_file.read_text().splitlines(keepends=True),
self.outfile_res.read_text().splitlines(keepends=True))
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