Update coverage on Readme

Author: github-actions[bot]

pytest-coverage.txt

@@ -6,7 +6,7 @@ collected 53 items
 
 test/test_calculations.py ..................
 test/test_calculations_for_atoms_lists.py ................
-test/test_end_to_end.py Done!, execution time: 5.233330011367798 s
+test/test_end_to_end.py Done!, execution time: 5.476518154144287 s
 python
 .
 test/test_input_data.py .................
@@ -67,4 +67,4 @@ TOTAL
 
 1 file skipped due to complete coverage.
 
-======================= 53 passed, 3 warnings in 22.30s ========================
+======================= 53 passed, 3 warnings in 22.18s ========================

pytest.xml

@@ -1 +1 @@
-<?xml version="1.0" encoding="utf-8"?><testsuites><testsuite name="pytest" errors="0" failures="0" skipped="0" tests="53" time="22.309" timestamp="2023-03-13T15:32:21.153854" hostname="fv-az244-608"><testcase classname="test.test_calculations.TestHistogram" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations.TestHistogram" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_calculate[1.7]" time="0.001" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_calculate[INF]" time="0.000" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test__get_list_of_coordination_numbers" time="0.000" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_calculate_statistics" time="0.001" /><testcase classname="test.test_calculations.TestQiUnits" name="test_calculate[1.7]" time="0.000" /><testcase classname="test.test_calculations.TestQiUnits" name="test_calculate[INF]" time="0.000" /><testcase classname="test.test_calculations.TestQiUnits" name="test_calculate_statistics" time="0.000" /><testcase classname="test.test_calculations.TestQiUnits" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestConnections" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations.TestConnections" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestBondLength" name="test_calculate" time="2.460" /><testcase classname="test.test_calculations.TestBondLength" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestCovalence" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations.TestCovalence" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestEndToEnd" name="test_end_to_end" time="0.288" /><testcase classname="test.test_calculations_for_atoms_lists.Test_FromPairOfAtoms" name="test__get_unique_atom_symbols" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestHistogramsFromPairOfAtoms" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestHistogramsFromPairOfAtoms" name="test_remove_duplicates" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestHistogramsFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestCoordinationNumbersFromPairOfAtoms" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestCoordinationNumbersFromPairOfAtoms" name="test_calculate_statistics" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestCoordinationNumbersFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestConnectionsFromPairOfAtoms" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestConnectionsFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestBondLengthFromPairOfAtoms" name="test_calculate" time="5.710" /><testcase classname="test.test_calculations_for_atoms_lists.TestBondLengthFromPairOfAtoms" name="test_to_string" time="5.701" /><testcase classname="test.test_calculations_for_atoms_lists.TestCovalenceFromPairOfAtoms" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestCovalenceFromPairOfAtoms" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestQiUnitsFromPairOfAtoms" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestQiUnitsFromPairOfAtoms" name="test_calculate_statistics" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestQiUnitsFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_end_to_end.TestEndToEnd" name="test_execute_app_in_cmd[python]" time="5.367" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[0-response0]" time="0.129" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[1-response1]" time="0.131" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[253-response2]" time="0.131" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[254-response3]" time="0.131" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[0-response0]" time="0.126" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[1-response1]" time="0.125" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[253-response2]" time="0.128" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[254-response3]" time="0.128" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_mayer_bond_orders" time="0.258" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_unit_cell" time="0.008" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_input_data" time="0.508" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_return_data" time="0.508" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_check_atom_symbol_in_MBO[Fe-True]" time="0.001" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_check_atom_symbol_in_MBO[X-False]" time="0.001" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_get_mayer_bond_orders_list_between_two_atoms" time="0.000" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_get_atoms_ids" time="0.000" /><testcase classname="test.test_input_data.TestCoordinatesOfAtoms" name="test_get_distance_between_atoms" time="0.133" /><testcase classname="test.test_settings.TestSettings" name="test_save_data" time="0.004" /></testsuite></testsuites>
+<?xml version="1.0" encoding="utf-8"?><testsuites><testsuite name="pytest" errors="0" failures="0" skipped="0" tests="53" time="22.186" timestamp="2023-03-24T16:09:31.524135" hostname="fv-az459-899"><testcase classname="test.test_calculations.TestHistogram" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations.TestHistogram" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_calculate[1.7]" time="0.001" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_calculate[INF]" time="0.000" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test__get_list_of_coordination_numbers" time="0.000" /><testcase classname="test.test_calculations.TestCoordinationNumbers" name="test_calculate_statistics" time="0.001" /><testcase classname="test.test_calculations.TestQiUnits" name="test_calculate[1.7]" time="0.000" /><testcase classname="test.test_calculations.TestQiUnits" name="test_calculate[INF]" time="0.000" /><testcase classname="test.test_calculations.TestQiUnits" name="test_calculate_statistics" time="0.000" /><testcase classname="test.test_calculations.TestQiUnits" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestConnections" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations.TestConnections" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestBondLength" name="test_calculate" time="2.378" /><testcase classname="test.test_calculations.TestBondLength" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestCovalence" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations.TestCovalence" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations.TestEndToEnd" name="test_end_to_end" time="0.285" /><testcase classname="test.test_calculations_for_atoms_lists.Test_FromPairOfAtoms" name="test__get_unique_atom_symbols" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestHistogramsFromPairOfAtoms" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestHistogramsFromPairOfAtoms" name="test_remove_duplicates" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestHistogramsFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestCoordinationNumbersFromPairOfAtoms" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestCoordinationNumbersFromPairOfAtoms" name="test_calculate_statistics" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestCoordinationNumbersFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestConnectionsFromPairOfAtoms" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestConnectionsFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestBondLengthFromPairOfAtoms" name="test_calculate" time="5.525" /><testcase classname="test.test_calculations_for_atoms_lists.TestBondLengthFromPairOfAtoms" name="test_to_string" time="5.509" /><testcase classname="test.test_calculations_for_atoms_lists.TestCovalenceFromPairOfAtoms" name="test_calculate" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestCovalenceFromPairOfAtoms" name="test_to_string" time="0.000" /><testcase classname="test.test_calculations_for_atoms_lists.TestQiUnitsFromPairOfAtoms" name="test_calculate" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestQiUnitsFromPairOfAtoms" name="test_calculate_statistics" time="0.001" /><testcase classname="test.test_calculations_for_atoms_lists.TestQiUnitsFromPairOfAtoms" name="test_to_string" time="0.001" /><testcase classname="test.test_end_to_end.TestEndToEnd" name="test_execute_app_in_cmd[python]" time="5.654" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[0-response0]" time="0.145" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[1-response1]" time="0.146" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[253-response2]" time="0.145" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_populations[254-response3]" time="0.133" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[0-response0]" time="0.128" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[1-response1]" time="0.128" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[253-response2]" time="0.128" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_coordinates_of_atoms[254-response3]" time="0.128" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_mayer_bond_orders" time="0.257" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_unit_cell" time="0.009" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_load_input_data" time="0.503" /><testcase classname="test.test_input_data.TestInputDataFromCPMD" name="test_return_data" time="0.505" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_check_atom_symbol_in_MBO[Fe-True]" time="0.001" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_check_atom_symbol_in_MBO[X-False]" time="0.001" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_get_mayer_bond_orders_list_between_two_atoms" time="0.000" /><testcase classname="test.test_input_data.TestMayerBondOrders" name="test_get_atoms_ids" time="0.000" /><testcase classname="test.test_input_data.TestCoordinatesOfAtoms" name="test_get_distance_between_atoms" time="0.133" /><testcase classname="test.test_settings.TestSettings" name="test_save_data" time="0.004" /></testsuite></testsuites>