test package

Submodules

test.test_performance module

test.test_py2opsin module

class test.test_py2opsin.Test_py2opsin(methodName='runTest')

Bases: TestCase

Test the various functionalities of py2opsin.

classmethod setUpClass()

Hook method for setting up class fixture before running tests in the class.

test_allow_multiple_options()

Test whether py2opsin can handle multiple arguments passed to it

test_helpful_warning()

Raise warnings when input cannot be parsed.

test_invalid_output_helpful_error()

Typo in the output specification should be greeted with helpful error.

test_invalid_output_spec()

Invalid output specification should raise a runtime error.

test_list_with_errors()

Test whether OPSIN will return a list if there is at least one failed translation

test_multiprocessing()

py2opsin should safely work when run with multiprocessing

test_name_to_cml()

Tests converting IUPAC names to CML format

test_name_to_extendedsmiles()

Tests converting IUPAC names to Extended SMILES

test_name_to_inchi_fixedh()

Tests converting IUPAC names to standard InChI with fixed H

test_name_to_smiles()

Tests converting IUPAC names to SMILES strings

test_name_to_stdinchi()

Tests converting IUPAC names to standard InChI

test_name_to_stdinchikey()

Tests converting IUPAC names to standard InChI keys

Module contents