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# ----------------------------------------------------------------------------
# "THE BEER-WARE LICENSE" (Revision 42):
# Daniel Kratzert <dkratzert@gmx.de> wrote this file. As long as you retain
# this notice you can do whatever you want with this stuff. If we meet some day,
# and you think this stuff is worth it, you can buy me a beer in return.
# ----------------------------------------------------------------------------
import unittest
from pathlib import Path
from PyQt5.QtCore import Qt
from PyQt5.QtWidgets import QTabWidget
from gemmi.cif import as_string
from finalcif.appwindow import AppWindow
from finalcif.cif.cif_file_io import CifContainer
from finalcif.tools.misc import unify_line_endings
class TestLoops(unittest.TestCase):
def setUp(self) -> None:
self.testcif = Path('tests/examples/1979688.cif').resolve()
Path('tests/examples/1979688-finalcif_changes.cif').unlink(missing_ok=True)
self.myapp = AppWindow(self.testcif, unit_test=True)
self.myapp.running_inside_unit_test = True
self.myapp.hide() # For full screen view
self.myapp.ui.LoopsPushButton.click()
self.myapp.ui.trackChangesCifCheckBox.setChecked(False)
def tearDown(self) -> None:
self.myapp.cif.finalcif_file.unlink(missing_ok=True)
self.myapp.close()
Path('tests/examples/1979688-finalcif_changes.cif').unlink(missing_ok=True)
def get_index_of(self, loopkey: str = ''):
tabw: QTabWidget = self.myapp.ui.LoopsTabWidget
tab = -1
for tab in range(tabw.count()):
if tabw.tabText(tab).startswith(loopkey):
break
else:
tab = -1
return tab
def test_get_index_of_tab(self):
self.assertEqual(2, self.get_index_of('CIF Author'))
def test_loop_data(self):
index = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('Citations')).model().index(0, 1)
self.assertEqual('10.1021/acs.orglett.0c01078', index.data())
def test_loop_data_atoms_aniso(self):
index = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('Displacement Para')).model().index(0, 1)
self.assertEqual('0.0161(10)', index.data())
def test_loop_audit_author_name(self):
index = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('CIF Author')).model().index(0, 0)
self.assertEqual('Daniel Kratzert', index.data())
def test_loop_audit_author_address(self):
index = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('CIF Author')).model().index(0, 1)
self.assertEqual(unify_line_endings('University of Freiburg\nGermany'), unify_line_endings(index.data()))
def test_loop_dots(self):
index = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('Bonds')).model().index(1, 3)
self.assertEqual('.', index.data())
def test_loop_question_marks(self):
index = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('Bonds')).model().index(1, 4)
self.assertEqual('?', index.data())
def test_loop_no_edit(self):
self.myapp.ui.SaveCifButton.click()
c = CifContainer(self.myapp.cif.finalcif_file)
self.assertEqual('0.0181', c.loops[3].val(0, 2))
def test_loop_edit_one_single_field(self):
model = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('Scattering')).model()
model.setData(model.index(0, 2), 'foo bar', role=Qt.EditRole)
self.myapp.ui.SaveCifButton.click()
c = CifContainer(self.myapp.cif.finalcif_file)
self.assertEqual('foo bar', as_string(c.loops[3].val(0, 2)))
class TestLoopsMove(unittest.TestCase):
def setUp(self) -> None:
self.testcif = Path('tests/examples/1979688.cif').resolve()
# TODO: make tests where changes file is active:
Path('tests/examples/1979688-finalcif_changes.cif').unlink(missing_ok=True)
self.myapp = AppWindow(self.testcif, unit_test=True)
self.myapp.running_inside_unit_test = True
self.myapp.hide() # For full screen view
self.myapp.ui.LoopsPushButton.click()
def tearDown(self) -> None:
self.myapp.cif.finalcif_file.unlink(missing_ok=True)
self.myapp.close()
Path('tests/examples/1979688-finalcif_changes.cif').unlink(missing_ok=True)
def get_index_of(self, loopkey: str = ''):
tabw: QTabWidget = self.myapp.ui.LoopsTabWidget
tab = -1
for tab in range(tabw.count()):
if tabw.tabText(tab).startswith(loopkey):
break
else:
tab = -1
return tab
def set_current_index_to_row_col(self, row, col, tab='Scattering'):
view = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of(tab))
index = view.model().index(row, col)
view.setCurrentIndex(index)
return view
def test_order_of_scattering_factors_table(self):
"""
The original order of the loo is C, H, O from top to bottom.
"""
view = self.myapp.ui.LoopsTabWidget.widget(self.get_index_of('Scattering'))
self.assertEqual('C', view.model().index(0, 0).data())
self.assertEqual('H', view.model().index(1, 0).data())
self.assertEqual('O', view.model().index(2, 0).data())
def test_row_col_selection(self):
"""
Now move the second row down:
"""
view = self.set_current_index_to_row_col(1, 0)
self.assertEqual(1, view.currentIndex().row())
self.assertEqual(0, view.currentIndex().column())
def test_move_row_down_from_middle(self):
view = self.set_current_index_to_row_col(1, 0)
view._row_down(None)
self.assertEqual('C', view.model().index(0, 0).data())
self.assertEqual('O', view.model().index(1, 0).data())
self.assertEqual('H', view.model().index(2, 0).data())
def test_move_row_down_from_middle_save_and_load_again(self):
view = self.set_current_index_to_row_col(1, 0)
view._row_down(None)
self.myapp.ui.SaveCifButton.click()
c = CifContainer(self.myapp.cif.finalcif_file)
self.assertEqual('C', as_string(c.loops[3].val(0, 0)))
self.assertEqual('O', as_string(c.loops[3].val(1, 0)))
self.assertEqual('H', as_string(c.loops[3].val(2, 0)))
def test_move_row_down_from_middle_save_and_load_again_for_angles(self):
view = self.set_current_index_to_row_col(1, 0, tab='Angles')
view._row_down(None)
self.myapp.ui.SaveCifButton.click()
c = CifContainer(self.myapp.cif.finalcif_file)
# Check weather the dots and numbers are quoted correctly and *not* like
# ['O1', 'C1', 'C14', '105.9(2)', "''", "''", "''"]
self.assertEqual("['O1', 'C1', 'C14', '105.9(2)', '.', '.', '?']", str(c.loops[7].values[:7]))
def test_move_row_down_from_end(self):
view = self.set_current_index_to_row_col(2, 0)
view._row_down(None)
self.assertEqual('C', view.model().index(0, 0).data())
self.assertEqual('H', view.model().index(1, 0).data())
self.assertEqual('O', view.model().index(2, 0).data())
def test_move_row_down_from_end_save_and_load_again(self):
view = self.set_current_index_to_row_col(2, 0)
view._row_down(None)
self.myapp.ui.SaveCifButton.click()
c = CifContainer(self.myapp.cif.finalcif_file)
self.assertEqual('C', as_string(c.loops[3].val(0, 0)))
self.assertEqual('H', as_string(c.loops[3].val(1, 0)))
self.assertEqual('O', as_string(c.loops[3].val(2, 0)))
def test_move_row_up_from_middle(self):
view = self.set_current_index_to_row_col(1, 0)
view._row_up(None)
self.assertEqual('H', view.model().index(0, 0).data())
self.assertEqual('C', view.model().index(1, 0).data())
self.assertEqual('O', view.model().index(2, 0).data())
def test_move_row_up_from_middle_save_and_load_again(self):
view = self.set_current_index_to_row_col(1, 0)
view._row_up(None)
self.myapp.ui.SaveCifButton.click()
c = CifContainer(self.myapp.cif.finalcif_file)
self.assertEqual('H', as_string(c.loops[3].val(0, 0)))
self.assertEqual('C', as_string(c.loops[3].val(1, 0)))
self.assertEqual('O', as_string(c.loops[3].val(2, 0)))
def test_move_row_up_from_start(self):
view = self.set_current_index_to_row_col(0, 0)
view._row_up(None)
self.assertEqual('C', view.model().index(0, 0).data())
self.assertEqual('H', view.model().index(1, 0).data())
self.assertEqual('O', view.model().index(2, 0).data())
def test_move_row_up_from_start_save_and_load_again(self):
view = self.set_current_index_to_row_col(0, 0)
view._row_up(None)
self.myapp.ui.SaveCifButton.click()
c = CifContainer(self.myapp.cif.finalcif_file)
self.assertEqual('C', as_string(c.loops[3].val(0, 0)))
self.assertEqual('H', as_string(c.loops[3].val(1, 0)))
self.assertEqual('O', as_string(c.loops[3].val(2, 0)))
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