# ---------------------------------------------------------------------------- # "THE BEER-WARE LICENSE" (Revision 42): # Daniel Kratzert 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)))