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Container for common test functions used in Canvas tests
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__package__ =
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Read a canvasMCS pw formatted file. (pw stands for pair-wise). |
Run a command and check return code and that the phrase "successfully completed" is printed.
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Get a map of elements in list1 to elements in list2. Fails if the mapping is not one to one. list1 and list2 are strings of comma separated integers. |
Check that two dicts representing atom mappings are equal. Functionally equivalent to assertEqual(left_map, right_map), but more precise error reporting. |
This function considers only the first two records in each file and checks that the pairwise atom mappings are consistent with the reference The current fields in a MCS csv file are: SMILES Name i_canvas_MCS_Match_Count i_canvas_MCS_Size i_canvas_MCS_Group i_canvas_MCS_Atom_Count i_canvas_MCS_Bond_Count s_canvas_MCS_Atom_List s_canvas_MCS_Bond_List s_canvas_MCS_SMARTS This checks that the SMILES, s_canvas_MCS_Atom_List and fields match. Uses assertAtomMapsEqual to check that the mapping is the same on the LHS and the RHS. |
This function checks the equivalence of each line with the corresponding line in the reference file The current fields in a MCS csv file are: SMILES Name i_canvas_MCS_Match_Count i_canvas_MCS_Size i_canvas_MCS_Group i_canvas_MCS_Atom_Count i_canvas_MCS_Bond_Count s_canvas_MCS_Atom_List s_canvas_MCS_Bond_List s_canvas_MCS_SMARTS This checks that the SMILES, s_canvas_MCS_Atom_List and fields match. Uses assertAtomMapsEqual to check that the mapping is the same on the LHS and the RHS. |
The current fields in a PW csv file are: SMILES1 Name1 SMILES2 Name2 i_canvas_MCS_Match_Count i_canvas_MCS_Size i_canvas_MCS_Group i_canvas_MCS_Atom_Count i_canvas_MCS_Bond_Count s_canvas_MCS_Atom_List1 s_canvas_MCS_Bond_List1 s_canvas_MCS_SMARTS1 s_canvas_MCS_Atom_List2 s_canvas_MCS_Bond_List2 s_canvas_MCS_SMARTS2 This checks that the SMILES, s_canvas_MCS_Atom_List and fields match. Uses assertAtomMapsEqual to check that the mapping is the same on the LHS and the RHS. |
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