rdkit.Chem.UnitTestPandasTools module

class rdkit.Chem.UnitTestPandasTools.TestLoadSDF(methodName='runTest')

Bases: unittest.case.TestCase

gz_filename = '/scratch/RDKit_git/rdkit/Chem/test_data/pandas_load.sdf.gz'

test_empty_file()

test_ignore_mol_column()

test_load_from_sio()

test_load_gzip_file()

test_load_specify_column_names()

test_passed_in_file_is_not_closed()

test_properties()

class rdkit.Chem.UnitTestPandasTools.TestPandasTools(methodName='runTest')

Bases: unittest.case.TestCase

setUp()

tearDown()

testDoctest()

test_AddMoleculeColumnToFrame()

test_AddMurckoToFrame()

test_FrameToGridImage()

test_RestoreMonkeyPatch()

test_SaveSMILESFromFrame()

test_molge()

test_patchHeadFrame()

test_svgRendering()

class rdkit.Chem.UnitTestPandasTools.TestWriteSDF(methodName='runTest')

Bases: unittest.case.TestCase

setUp()

test_all_numeric_with_no_numeric_columns()

test_all_numeric_with_numeric_columns()

test_default_write_does_not_include_tags()

test_identifier_from_a_column()

test_specify_numeric_column()

test_specify_numeric_column_2()

test_write_to_sdf()

test_write_to_sdf_gz()

rdkit.Chem.UnitTestPandasTools.getStreamIO(sdfString)

Return a StringIO/BytesIO for the string

rdkit.Chem.UnitTestPandasTools.getTestFrame()