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["libcellml"] @@ -5206,12 +5229,12 @@ escher = ["bezier"] lems = ["pint", "pylems", "pyneuroml"] logging = ["capturer"] neuroml = ["libneuroml", "pyneuroml"] -rba = ["rbapy"] +rba = [] sbml = ["python-libsbml"] simularium = ["simulariumio"] smoldyn = ["smoldyn"] [metadata] lock-version = "2.0" -python-versions = "~3.10" -content-hash = "f7a8c98fd072357b67212f2d8ad1974fb8b7edb79ff2bd6dd337264f197fa2b4" +python-versions = "^3.9" +content-hash = "16189a615a9de90c88e979991e00bc15227a13fbba12a506d51c5a1471779da1" diff --git a/pyproject.toml b/pyproject.toml index 420c4f9a..46333c60 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -21,7 +21,7 @@ include = [ ] [tool.poetry.dependencies] -python = "~3.10" +python = "^3.9" appdirs = "*" biopython = "*" cement = "*" @@ -58,7 +58,7 @@ pylems = {version = "*", optional = true} pyneuroml = {version = ">=0.5.18", optional = true} pint = {version = "*", optional = true} libneuroml = {version = "*", optional = true} -rbapy = { version = "*", optional = true } +#rbapy = { git = "https://github.com/biosimulators/RBApy.git", rev="d82e1ade319cb503f6e28759a0cbeffccabd89e8", optional = true } python-libsbml = {version = "*", optional = true} smoldyn = {version = ">=2.66", optional = true} simulariumio = {version = "*", optional = true} @@ -111,18 +111,17 @@ dependencies = { pylems = "*", pyneuroml = "*", pint = "*" } optional = true dependencies = { libneuroml = "*", pyneuroml = ">=0.5.18" } -[tool.poetry.group.rba] -optional = true -# in requirements.optional.txt, rbapy was specified as: -# -# [rba] -# python -m pip install git+https://github.com/biosimulators/RBApy.git#egg=rbapy -# - dependencies = { rbapy = "*" } -# -# if using official release (not biosimulators fork), use: -# dependencies = { rbapy = "*" } - +#[tool.poetry.group.rba] +#optional = true +## in requirements.optional.txt, rbapy was specified as: +## +## [rba] +## python -m pip install git+https://github.com/biosimulators/RBApy.git#egg=rbapy +## +# dependencies = { rbapy = { git = "https://github.com/biosimulators/RBApy.git", rev="d82e1ade319cb503f6e28759a0cbeffccabd89e8" } } +## +## if using official release (not biosimulators fork), use: +## dependencies = { rbapy = "*" } [tool.poetry.group.sbml] optional = true diff --git a/tests/model_lang/rba/test_rba_utils.py b/tests/model_lang/rba/test_rba_utils.py index 5fc6eaaa..071c634f 100644 --- a/tests/model_lang/rba/test_rba_utils.py +++ b/tests/model_lang/rba/test_rba_utils.py @@ -1,79 +1,80 @@ -from biosimulators_utils.model_lang.rba.utils import get_parameters_variables_outputs_for_simulation -from biosimulators_utils.sedml.data_model import SteadyStateSimulation -import math -import os +# from biosimulators_utils.model_lang.rba.utils import get_parameters_variables_outputs_for_simulation +# from biosimulators_utils.sedml.data_model import SteadyStateSimulation +# import math +# import os import unittest class RbaUtilsTestCase(unittest.TestCase): - FIXTURES_DIRNAME = os.path.join(os.path.dirname(__file__), '..', '..', 'fixtures', 'rba') - - def test_get_parameters_variables_for_simulation(self): - filename = os.path.join(self.FIXTURES_DIRNAME, 'Escherichia-coli-K12-WT.zip') - params, sims, vars, plots = get_parameters_variables_outputs_for_simulation(filename, None, SteadyStateSimulation) - - self.assertEqual(len(params), 1620) - - param = next(param for param in params if param.id == 'parameter_amino_acid_concentration_Y_MIN') - self.assertEqual(param.name, 'Value of parameter "Y_MIN" of function "amino_acid_concentration"') - self.assertEqual(param.target, 'parameters.functions.amino_acid_concentration.parameters.Y_MIN') - self.assertEqual(param.new_value, '-inf') - - self.assertEqual(len(sims), 1) - sim = sims[0] - self.assertIsInstance(sim, SteadyStateSimulation) - self.assertEqual(sim.algorithm.kisao_id, 'KISAO_0000669') - self.assertEqual(sim.algorithm.changes, []) - - self.assertEqual(len(vars), 15766) - - self.assertEqual(vars[0].id, 'objective') - self.assertEqual(vars[0].name, 'Value of objective') - self.assertEqual(vars[0].target, 'objective') - - var = next(var for var in vars if var.id == 'M_pqq_p') - self.assertEqual(var.name, 'Dual of constraint "M_pqq_p"') - self.assertEqual(var.target, 'constraints.M_pqq_p') - - var = next(var for var in vars if var.id == 'test_process_2_machinery') - self.assertEqual(var.name, 'Primal of variable "test_process_2_machinery"') - self.assertEqual(var.target, 'variables.test_process_2_machinery') - - def test_get_parameters_variables_for_simulation_native_ids_data_types(self): - filename = os.path.join(self.FIXTURES_DIRNAME, 'Escherichia-coli-K12-WT.zip') - params, sims, vars, plots = get_parameters_variables_outputs_for_simulation(filename, None, SteadyStateSimulation, native_ids=True, native_data_types=True) - - self.assertEqual(len(params), 1620) - - param = next(param for param in params if param.id == 'amino_acid_concentration.Y_MIN') - self.assertEqual(param.name, None) - self.assertEqual(param.target, 'parameters.functions.amino_acid_concentration.parameters.Y_MIN') - self.assertEqual(param.new_value, -math.inf) - - self.assertEqual(len(sims), 1) - sim = sims[0] - self.assertIsInstance(sim, SteadyStateSimulation) - self.assertEqual(sim.algorithm.kisao_id, 'KISAO_0000669') - self.assertEqual(sim.algorithm.changes, []) - - self.assertEqual(len(vars), 15766) - - self.assertEqual(vars[0].id, None) - self.assertEqual(vars[0].name, None) - self.assertEqual(vars[0].target, 'objective') - - var = next(var for var in vars if var.id == 'M_pqq_p') - self.assertEqual(var.name, None) - self.assertEqual(var.target, 'constraints.M_pqq_p') - - var = next(var for var in vars if var.id == 'test_process_2_machinery') - self.assertEqual(var.name, None) - self.assertEqual(var.target, 'variables.test_process_2_machinery') - - def test_get_parameters_variables_for_simulation_error_handling(self): - with self.assertRaises(ValueError): - get_parameters_variables_outputs_for_simulation(None, None, None) - - filename = os.path.join(self.FIXTURES_DIRNAME, 'Escherichia-coli-K12-WT.zip') - with self.assertRaises(NotImplementedError): - get_parameters_variables_outputs_for_simulation(filename, None, None) + pass + # FIXTURES_DIRNAME = os.path.join(os.path.dirname(__file__), '..', '..', 'fixtures', 'rba') + + # def test_get_parameters_variables_for_simulation(self): + # filename = os.path.join(self.FIXTURES_DIRNAME, 'Escherichia-coli-K12-WT.zip') + # params, sims, vars, plots = get_parameters_variables_outputs_for_simulation(filename, None, SteadyStateSimulation) + # + # self.assertEqual(len(params), 1620) + # + # param = next(param for param in params if param.id == 'parameter_amino_acid_concentration_Y_MIN') + # self.assertEqual(param.name, 'Value of parameter "Y_MIN" of function "amino_acid_concentration"') + # self.assertEqual(param.target, 'parameters.functions.amino_acid_concentration.parameters.Y_MIN') + # self.assertEqual(param.new_value, '-inf') + # + # self.assertEqual(len(sims), 1) + # sim = sims[0] + # self.assertIsInstance(sim, SteadyStateSimulation) + # self.assertEqual(sim.algorithm.kisao_id, 'KISAO_0000669') + # self.assertEqual(sim.algorithm.changes, []) + # + # self.assertEqual(len(vars), 15766) + # + # self.assertEqual(vars[0].id, 'objective') + # self.assertEqual(vars[0].name, 'Value of objective') + # self.assertEqual(vars[0].target, 'objective') + # + # var = next(var for var in vars if var.id == 'M_pqq_p') + # self.assertEqual(var.name, 'Dual of constraint "M_pqq_p"') + # self.assertEqual(var.target, 'constraints.M_pqq_p') + # + # var = next(var for var in vars if var.id == 'test_process_2_machinery') + # self.assertEqual(var.name, 'Primal of variable "test_process_2_machinery"') + # self.assertEqual(var.target, 'variables.test_process_2_machinery') + # + # def test_get_parameters_variables_for_simulation_native_ids_data_types(self): + # filename = os.path.join(self.FIXTURES_DIRNAME, 'Escherichia-coli-K12-WT.zip') + # params, sims, vars, plots = get_parameters_variables_outputs_for_simulation(filename, None, SteadyStateSimulation, native_ids=True, native_data_types=True) + # + # self.assertEqual(len(params), 1620) + # + # param = next(param for param in params if param.id == 'amino_acid_concentration.Y_MIN') + # self.assertEqual(param.name, None) + # self.assertEqual(param.target, 'parameters.functions.amino_acid_concentration.parameters.Y_MIN') + # self.assertEqual(param.new_value, -math.inf) + # + # self.assertEqual(len(sims), 1) + # sim = sims[0] + # self.assertIsInstance(sim, SteadyStateSimulation) + # self.assertEqual(sim.algorithm.kisao_id, 'KISAO_0000669') + # self.assertEqual(sim.algorithm.changes, []) + # + # self.assertEqual(len(vars), 15766) + # + # self.assertEqual(vars[0].id, None) + # self.assertEqual(vars[0].name, None) + # self.assertEqual(vars[0].target, 'objective') + # + # var = next(var for var in vars if var.id == 'M_pqq_p') + # self.assertEqual(var.name, None) + # self.assertEqual(var.target, 'constraints.M_pqq_p') + # + # var = next(var for var in vars if var.id == 'test_process_2_machinery') + # self.assertEqual(var.name, None) + # self.assertEqual(var.target, 'variables.test_process_2_machinery') + # + # def test_get_parameters_variables_for_simulation_error_handling(self): + # with self.assertRaises(ValueError): + # get_parameters_variables_outputs_for_simulation(None, None, None) + # + # filename = os.path.join(self.FIXTURES_DIRNAME, 'Escherichia-coli-K12-WT.zip') + # with self.assertRaises(NotImplementedError): + # get_parameters_variables_outputs_for_simulation(filename, None, None) diff --git a/tests/model_lang/rba/test_rba_validation.py b/tests/model_lang/rba/test_rba_validation.py index b8fd3751..c262f6a3 100644 --- a/tests/model_lang/rba/test_rba_validation.py +++ b/tests/model_lang/rba/test_rba_validation.py @@ -1,40 +1,41 @@ -from biosimulators_utils.model_lang.rba import validation -from biosimulators_utils.utils.core import flatten_nested_list_of_strings -import os -import rba +# from biosimulators_utils.model_lang.rba import validation +# from biosimulators_utils.utils.core import flatten_nested_list_of_strings +# import os +# import rba import unittest class RbaValidationTestCase(unittest.TestCase): - FIXTURE_DIRNAME = os.path.join(os.path.dirname(__file__), '..', '..', 'fixtures', 'rba') + pass + # FIXTURE_DIRNAME = os.path.join(os.path.dirname(__file__), '..', '..', 'fixtures', 'rba') - def test(self): - filename = os.path.join(self.FIXTURE_DIRNAME, 'Escherichia-coli-K12-WT.zip') - errors, warnings, model = validation.validate_model(filename) - self.assertEqual(errors, []) - self.assertEqual(warnings, []) - self.assertIsInstance(model, rba.model.RbaModel) - - filename = None - errors, warnings, model = validation.validate_model(filename) - self.assertIn('is not a path', flatten_nested_list_of_strings(errors)) - self.assertEqual(warnings, []) - self.assertEqual(model, None) - - filename = os.path.join(self.FIXTURE_DIRNAME, 'not exist.zip') - errors, warnings, model = validation.validate_model(filename) - self.assertIn('does not exist', flatten_nested_list_of_strings(errors)) - self.assertEqual(warnings, []) - self.assertEqual(model, None) - - filename = __file__ - errors, warnings, model = validation.validate_model(filename) - self.assertIn('is not a valid RBA', flatten_nested_list_of_strings(errors)) - self.assertEqual(warnings, []) - self.assertEqual(model, None) - - filename = os.path.join(self.FIXTURE_DIRNAME, 'Escherichia-coli-K12-WT-invalid.zip') - errors, warnings, model = validation.validate_model(filename) - self.assertIn('is not a valid RBA', flatten_nested_list_of_strings(errors)) - self.assertEqual(warnings, []) - self.assertEqual(model, None) + # def test(self): + # filename = os.path.join(self.FIXTURE_DIRNAME, 'Escherichia-coli-K12-WT.zip') + # errors, warnings, model = validation.validate_model(filename) + # self.assertEqual(errors, []) + # self.assertEqual(warnings, []) + # self.assertIsInstance(model, rba.model.RbaModel) + # + # filename = None + # errors, warnings, model = validation.validate_model(filename) + # self.assertIn('is not a path', flatten_nested_list_of_strings(errors)) + # self.assertEqual(warnings, []) + # self.assertEqual(model, None) + # + # filename = os.path.join(self.FIXTURE_DIRNAME, 'not exist.zip') + # errors, warnings, model = validation.validate_model(filename) + # self.assertIn('does not exist', flatten_nested_list_of_strings(errors)) + # self.assertEqual(warnings, []) + # self.assertEqual(model, None) + # + # filename = __file__ + # errors, warnings, model = validation.validate_model(filename) + # self.assertIn('is not a valid RBA', flatten_nested_list_of_strings(errors)) + # self.assertEqual(warnings, []) + # self.assertEqual(model, None) + # + # filename = os.path.join(self.FIXTURE_DIRNAME, 'Escherichia-coli-K12-WT-invalid.zip') + # errors, warnings, model = validation.validate_model(filename) + # self.assertIn('is not a valid RBA', flatten_nested_list_of_strings(errors)) + # self.assertEqual(warnings, []) + # self.assertEqual(model, None) diff --git a/tests/sedml/test_sedml_validation.py b/tests/sedml/test_sedml_validation.py index c8d9376e..1eef9617 100644 --- a/tests/sedml/test_sedml_validation.py +++ b/tests/sedml/test_sedml_validation.py @@ -903,16 +903,16 @@ def test_validate_model_with_language(self): self.assertIn("is not valid against the schema", flatten_nested_list_of_strings(errors)) self.assertEqual(warnings, []) - # RBA - filename = os.path.join(os.path.dirname(__file__), '..', 'fixtures', 'rba', 'Escherichia-coli-K12-WT.zip') - errors, warnings, _ = validation.validate_model_with_language(filename, data_model.ModelLanguage.RBA) - self.assertEqual(errors, []) - self.assertEqual(warnings, []) - - filename = os.path.join(os.path.dirname(__file__), '..', 'fixtures', 'rba', 'Escherichia-coli-K12-WT-invalid.zip') - errors, warnings, _ = validation.validate_model_with_language(filename, data_model.ModelLanguage.RBA) - self.assertIn("expected '>'", flatten_nested_list_of_strings(errors)) - self.assertEqual(warnings, []) + # # RBA + # filename = os.path.join(os.path.dirname(__file__), '..', 'fixtures', 'rba', 'Escherichia-coli-K12-WT.zip') + # errors, warnings, _ = validation.validate_model_with_language(filename, data_model.ModelLanguage.RBA) + # self.assertEqual(errors, []) + # self.assertEqual(warnings, []) + # + # filename = os.path.join(os.path.dirname(__file__), '..', 'fixtures', 'rba', 'Escherichia-coli-K12-WT-invalid.zip') + # errors, warnings, _ = validation.validate_model_with_language(filename, data_model.ModelLanguage.RBA) + # self.assertIn("expected '>'", flatten_nested_list_of_strings(errors)) + # self.assertEqual(warnings, []) # "Smoldyn won't load in github; 'ModuleNotFoundError: No module named 'biosimulators_simularium''" # # Smoldyn