masskit.test_fixtures package¶

Submodules¶

masskit.test_fixtures.demo_fixtures module¶

masskit.test_fixtures.demo_fixtures.cho_uniq_short_parquet()¶

Module contents¶

masskit.test_fixtures.SRM1950_lumos_recordbatch(SRM1950_lumos_table)¶

masskit.test_fixtures.SRM1950_lumos_short_parquet(SRM1950_lumos_short_sdf, tmpdir_factory)¶

masskit.test_fixtures.SRM1950_lumos_short_sdf(data_dir)¶

masskit.test_fixtures.SRM1950_lumos_structarray(SRM1950_lumos_recordbatch)¶

masskit.test_fixtures.SRM1950_lumos_table(SRM1950_lumos_short_parquet)¶

masskit.test_fixtures.batch_converted_csv_files(tmpdir_factory)¶

masskit.test_fixtures.batch_converted_csv_path_file(tmpdir_factory)¶

masskit.test_fixtures.batch_converted_plain_sdf_files(tmpdir_factory)¶

masskit.test_fixtures.batch_converted_pubchem_sdf_files(tmpdir_factory)¶

masskit.test_fixtures.batch_converted_sdf_files(tmpdir_factory)¶

masskit.test_fixtures.cho_uniq_short_msp(data_dir)¶

masskit.test_fixtures.cho_uniq_short_parquet(cho_uniq_short_msp, tmpdir_factory)¶

masskit.test_fixtures.cho_uniq_short_recordbatch(cho_uniq_short_table)¶

masskit.test_fixtures.cho_uniq_short_structarray(cho_uniq_short_recordbatch)¶

masskit.test_fixtures.cho_uniq_short_table(cho_uniq_short_parquet)¶

masskit.test_fixtures.config_batch_converter_csv(test_csv, batch_converted_csv_files)¶

masskit.test_fixtures.config_batch_converter_plain_sdf(plain_sdf, batch_converted_plain_sdf_files)¶

masskit.test_fixtures.config_batch_converter_pubchem_sdf(pubchem_sdf, batch_converted_pubchem_sdf_files)¶

masskit.test_fixtures.config_batch_converter_sdf(test_new_sdf, batch_converted_sdf_files)¶

masskit.test_fixtures.config_fasta2peptides(human_uniprot_trunc_parquet, human_uniprot_trunc_fasta)¶

masskit.test_fixtures.config_reactor(reactants, tmpdir_factory)¶: configuration for running reactor_app on test data returns a factory

masskit.test_fixtures.config_shortest_path_csv(batch_converted_csv_files, batch_converted_csv_path_file)¶

masskit.test_fixtures.create_peptide_parquet_file(config_fasta2peptides)¶

masskit.test_fixtures.data_dir()¶: the directory containing the test data files

masskit.test_fixtures.human_uniprot_trunc_fasta(data_dir)¶

masskit.test_fixtures.human_uniprot_trunc_parquet(tmpdir_factory)¶

masskit.test_fixtures.plain_sdf(data_dir)¶

masskit.test_fixtures.pubchem_sdf(data_dir)¶

masskit.test_fixtures.reactants(test_molecules, test_reactants, tmpdir_factory)¶: create a fixture factory. call the returned function with parameters for the fixture

masskit.test_fixtures.test_csv(data_dir)¶

masskit.test_fixtures.test_molecules()¶: SMILES of molecules to be derivatized

masskit.test_fixtures.test_new_sdf(data_dir)¶

masskit.test_fixtures.test_num_tautomers()¶: num of tautomers to generate

masskit.test_fixtures.test_products()¶: the products of test_molecules derivatized with test_reactants

masskit.test_fixtures.test_reactants()¶: derivatives for test_molecules