// Copyright (C) 2021 - 2025 by Pedro Mendes, Rector and Visitors of the // University of Virginia, University of Heidelberg, and University // of Connecticut School of Medicine. // All rights reserved. #include "catch.hpp" extern std::string getTestFile(const std::string & fileName); #include #include #include #include TEST_CASE("1: importing sbml files", "[copasi][sbml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != NULL); SECTION("unit import") { std::string test_file = getTestFile("test-data/unit_test.xml"); auto* sbml_doc = readSBMLFromFile(test_file.c_str()); REQUIRE(sbml_doc != nullptr); auto* sbml_mod = sbml_doc->getModel(); REQUIRE(sbml_mod != nullptr); SBMLUnitSupport importer; importer.setLevelAndVersion(sbml_doc->getLevel(), sbml_doc->getVersion()); SBMLUnitSupport::SUnitInfo UnitInfo_1; UnitInfo_1.pSBML = sbml_mod->getUnitDefinition("unit_1"); REQUIRE(UnitInfo_1.pSBML != nullptr); REQUIRE(importer.createUnitExpressionFor(UnitInfo_1)); REQUIRE(UnitInfo_1.expression == "l/(nmol*s)"); SBMLUnitSupport::SUnitInfo UnitInfo_2; UnitInfo_2.pSBML = sbml_mod->getUnitDefinition("unit_2"); REQUIRE(UnitInfo_2.pSBML != nullptr); REQUIRE(importer.createUnitExpressionFor(UnitInfo_2)); REQUIRE(UnitInfo_2.expression == "d"); SBMLUnitSupport::SUnitInfo UnitInfo_3; UnitInfo_3.pSBML = sbml_mod->getUnitDefinition("unit_3"); REQUIRE(UnitInfo_3.pSBML != nullptr); REQUIRE(importer.createUnitExpressionFor(UnitInfo_3)); REQUIRE((UnitInfo_3.expression == "1/(#*d)" || UnitInfo_3.expression == "1/(d*#)")); delete sbml_doc; } SECTION("volume units") { std::string test_file = getTestFile("test-data/volume_units.xml"); auto * sbml_doc = readSBMLFromFile(test_file.c_str()); REQUIRE(sbml_doc != nullptr); auto * sbml_mod = sbml_doc->getModel(); REQUIRE(sbml_mod != nullptr); auto * unit = sbml_mod->getUnitDefinition("um3"); REQUIRE(unit != nullptr); SBMLUnitSupport importer; importer.setLevelAndVersion(sbml_doc->getLevel(), sbml_doc->getVersion()); SBMLUnitSupport::SUnitInfo UnitInfo_1; UnitInfo_1.pSBML = sbml_mod->getUnitDefinition("um3"); REQUIRE(UnitInfo_1.pSBML != nullptr); REQUIRE(importer.createUnitExpressionFor(UnitInfo_1)); REQUIRE(!UnitInfo_1.expression.empty()); delete sbml_doc; auto* dm = CRootContainer::addDatamodel(); REQUIRE(dm->importSBML(test_file) == true); const auto* model = dm->getModel(); std::string model_units = model->getVolumeUnit(); REQUIRE(model_units == UnitInfo_1.expression); // now export auto sbml_text = dm->exportSBMLToString(NULL, 3, 1); sbml_doc = readSBMLFromString(sbml_text.c_str()); sbml_mod = sbml_doc->getModel(); SBMLUnitSupport::SUnitInfo UnitInfo_2; UnitInfo_2.pSBML = sbml_mod->getUnitDefinition("volume"); REQUIRE(UnitInfo_2.pSBML != nullptr); REQUIRE(importer.createUnitExpressionFor(UnitInfo_2)); REQUIRE(model_units == UnitInfo_2.expression); delete sbml_doc; } SECTION("unit export") { REQUIRE(dm->newModel(NULL, true) == true); auto * mod = dm->getModel(); REQUIRE(mod != nullptr); auto * p = mod->createModelValue("p1"); REQUIRE(p != nullptr); p->setValue(1); p->setUnitExpression("d"); p = mod->createModelValue("p2"); REQUIRE(p != nullptr); p->setValue(1); p->setUnitExpression("1/(#*d)"); CSBMLExporter exp; auto sbml = exp.exportModelToString(*dm, 2, 4); auto * doc = readSBMLFromString(sbml.c_str()); REQUIRE(doc != nullptr); auto * sbml_mod = doc->getModel(); REQUIRE(sbml_mod != nullptr); auto * unitdef = sbml_mod->getUnitDefinition("unit_0"); REQUIRE(unitdef != nullptr); REQUIRE(unitdef->getNumUnits() == 1); auto * unit = unitdef->getUnit(0); REQUIRE(unit != nullptr); REQUIRE(unit->getScale() == 0); REQUIRE(unit->getMultiplier() == 86400); REQUIRE(unit->getExponent() == 1); REQUIRE(unit->getKind() == UNIT_KIND_SECOND); unitdef = sbml_mod->getUnitDefinition("unit_1"); REQUIRE(unitdef != nullptr); REQUIRE(unitdef->getNumUnits() == 2); unit = unitdef->getUnit(0); REQUIRE(unit != nullptr); REQUIRE(unit->getScale() == 0); REQUIRE(unit->getMultiplier() == 86400); REQUIRE(unit->getExponent() == -1); REQUIRE(unit->getKind() == UNIT_KIND_SECOND); unit = unitdef->getUnit(1); REQUIRE(unit != nullptr); REQUIRE(unit->getScale() == 0); REQUIRE(unit->getMultiplier() == 1); REQUIRE(unit->getExponent() == -1); REQUIRE(unit->getKind() == UNIT_KIND_ITEM); pdelete(doc); } CRootContainer::removeDatamodel(dm); } #include TEST_CASE("3: creating a new model testing avogadro", "[copasi][sbml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); dm->newModel(NULL, true); auto * model = dm->getModel(); double avo_num = 6e23; model->setAvogadro(avo_num, CCore::Framework::Concentration); auto * mv = model->createModelValue("avo"); std::stringstream str; str << "<" << CObjectInterface::DataObject(model->getObject(CCommonName("Reference=Avogadro Constant")))->getValueObject()->getStringCN() << ">"; mv->setInitialExpression(str.str()); mv->setStatus(CModelEntity::Status::ASSIGNMENT); mv->setExpression(str.str()); model->compileIfNecessary(NULL); // simulate auto & task = (*dm->getTaskList())["Time-Course"]; CTrajectoryProblem * pProblem = static_cast< CTrajectoryProblem * >(task.getProblem()); pProblem->setStepNumber(2); { auto dh = CDataHandler(); dh.addDuringName(model->getModelValues()[0].getValueReference()->getCN()); task.initialize(CCopasiTask::OUTPUT_UI, &dh, NULL); task.process(true); task.restore(); REQUIRE(dh.getDuringData()[0][0] == avo_num); } { avo_num = 7e23; model->setAvogadro(avo_num, CCore::Framework::Concentration); auto dh = CDataHandler(); dh.addDuringName(model->getModelValues()[0].getValueReference()->getCN()); task.initialize(CCopasiTask::OUTPUT_UI, &dh, NULL); task.process(true); task.restore(); REQUIRE(dh.getDuringData()[0][0] == avo_num); } CRootContainer::removeDatamodel(dm); } TEST_CASE("2: importing an sbml file and saving as COPASI file", "[copasi][sbml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); std::string test_file = getTestFile("test-data/01776-sbml-l3v1.xml"); REQUIRE(dm->importSBML(test_file) == true); // create model values for amounts: auto * model = dm->getModel(); for (auto & metab : model->getMetabolites()) { std::stringstream str; str << metab.getObjectName() << "_amount"; auto * mv = model->createModelValue(str.str()); REQUIRE(mv != NULL); str.str(""); str << "<" << metab.getConcentrationReference()->getStringCN() << "> * <" << metab.getCompartment()->getValueReference()->getStringCN() << ">"; mv->setStatus(CModelEntity::Status::ASSIGNMENT); REQUIRE(mv->setExpression(str.str()).isSuccess()); REQUIRE(mv->compile().isSuccess()); } // simulate auto &task = (*dm->getTaskList())["Time-Course"]; auto dh = CDataHandler(); dh.addDuringName(model->getModelValues()[0].getValueReference()->getCN()); task.initialize(CCopasiTask::OUTPUT_UI, &dh, NULL); task.process(true); task.restore(); double val = dh.getDuringData()[0][0]; std::string copasi_model = dm->saveModelToString(); std::string sbml_model = dm->exportSBMLToString(NULL, 3, 1); CRootContainer::removeDatamodel(dm); } TEST_CASE("importing an SBML file multiple times", "[copasi][sbml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); auto * pFunDB = CRootContainer::getFunctionList(); REQUIRE(pFunDB->loadedFunctions().size() == 84); pFunDB->purgeUnusedUserDefinedFunctions(); REQUIRE(pFunDB->loadedFunctions().size() == 82); std::string test_file = getTestFile("test-data/BIOMD0000000027_url.xml"); REQUIRE(dm->importSBML(test_file) == true); REQUIRE(dm->importSBML(test_file) == true); REQUIRE(dm->importSBML(test_file) == true); std::string copasi_model = dm->saveModelToString(); std::string sbml_model = dm->exportSBMLToString(NULL, 3, 1); CRootContainer::removeDatamodel(dm); } TEST_CASE("importing an SBML file and delete used function definition", "[copasi][sbml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); std::string test_file = getTestFile("test-data/BIOMD0000000055_urn.xml"); REQUIRE(dm->importSBML(test_file) == true); auto * pFunDB = CRootContainer::getFunctionList(); for (int i = ((int)pFunDB->loadedFunctions().size()) - 1; i >= 0; --i) { auto & pFun = pFunDB->loadedFunctions()[i]; if (!pFun.isReadOnly()) { pFunDB->removeFunction(i); } } std::string copasi_model = dm->saveModelToString(); std::string sbml_model = dm->exportSBMLToString(NULL, 3, 1); CRootContainer::removeDatamodel(dm); } TEST_CASE("SBML import / export of events with particle numbers", "[copasi][sbml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); dm->newModel(NULL, true); auto * model = dm->getModel(); model->createCompartment("compartment"); REQUIRE(model->createMetabolite("A", "compartment") != NULL); model->createMetabolite("B", "compartment"); model->createMetabolite("C", "compartment"); // create event { auto * event = model->createEvent("event"); std::stringstream str; str << "<" << model->getValueReference()->getStringCN() << "> > 1"; event->setTriggerExpression(str.str()); auto & assignments = event->getAssignments(); assignments.clear(); auto * assignment = new CEventAssignment(model->getMetabolites()[0].getConcentrationReference()->getStringCN(), model); assignment->setExpression("1"); assignments.add(assignment); assignment = new CEventAssignment(model->getMetabolites()[1].getValueReference()->getStringCN(), model); assignment->setExpression("2"); assignments.add(assignment); assignment = new CEventAssignment(model->getMetabolites()[2].getStringCN(), model); assignment->setExpression("3"); assignments.add(assignment); } // save model as cps std::string cps_model = dm->saveModelToString(); // save model as sbml std::string sbml_model = dm->exportSBMLToString(NULL, 3, 1); // load model from sbml try { bool result = dm->importSBMLFromString(sbml_model); REQUIRE(result == true); } catch (const CCopasiException& e) { std::cout << e.getMessage().getText() << std::endl; REQUIRE(false); } // get event model = dm->getModel(); auto& event = model->getEvents()[0]; // ensure that targets point to correct objects REQUIRE(event.getAssignments()[0].getTargetObject() == model->getMetabolites()[0].getConcentrationReference()); REQUIRE(event.getAssignments()[1].getTargetObject() == model->getMetabolites()[1].getValueReference()); REQUIRE(event.getAssignments()[2].getTargetObject() == model->getMetabolites()[2].getConcentrationReference()); // export again for comparison std::string sbml_model_2 = dm->exportSBMLToString(NULL, 3, 1); CRootContainer::removeDatamodel(dm); } TEST_CASE("importing sbml files with initial value annotations", "[copasi][sbml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != NULL); dm->newModel(NULL, true); auto * model = dm->getModel(); auto * mv1 = model->createModelValue("A", 1); auto * mv2 = model->createModelValue("B"); std::stringstream str; str << "1 / <" << mv1->getInitialValueReference()->getCN() << ">"; mv2->setStatus(CModelEntity::Status::ASSIGNMENT); REQUIRE(mv2->setExpression(str.str()).isSuccess()); model->compileIfNecessary(NULL); std::string sbml = dm->exportSBMLToString(NULL, 2, 4); { // if imported as initial expressions, we should have 2 model values REQUIRE(dm->importSBMLFromString(sbml, NULL, true, true, true)); REQUIRE(dm->getModel()->getNumModelValues() == 2); } { // if imported without changing expressions we ought to have 3 REQUIRE(dm->importSBMLFromString(sbml, NULL, true, true, false)); REQUIRE(dm->getModel()->getNumModelValues() == 3); } CRootContainer::removeDatamodel(dm); } //#include //#include // //namespace fs = std::filesystem; // //#include // //TEST_CASE("2: importing biomodel files", "[copasi][sbml]") //{ // auto * dm = CRootContainer::addDatamodel(); // REQUIRE(dm != NULL); // // CJitCompiler::SetJitBufferSize(128000); // // bool skip = true; // // for (auto itEntry = fs::recursive_directory_iterator("/Development/temp-biomodels/original/"); // itEntry != fs::recursive_directory_iterator(); // ++itEntry) // { // const auto currentPath = itEntry->path(); // const auto filenameStr = currentPath.filename().string(); // if (filenameStr.find(".xml") == std::string::npos) // continue; // // if (filenameStr.find("SED") != std::string::npos) // continue; // // //if (skip && filenameStr.find("385") == std::string::npos) // // continue; // // skip = false; // // // try // { // bool result = dm->importSBML(currentPath.string(), NULL); // std::cout << std::setw(itEntry.depth() * 3) << ""; // std::cout << "sbml: " << filenameStr << ": " << result << '\n'; //} // catch (CCopasiException & ex) // { // std::cerr << "exception: " << ex.getMessage().getText() << '\n'; //} // catch (...) // { // std::cerr << "unknown exception!\n"; //} // // // remove unused functions // dm->newModel(NULL, true); // // auto & functions = CRootContainer::getFunctionList()->loadedFunctions(); // for (int Index = functions.size() - 1; Index >= 0 ; --Index) // { // if (!functions[Index].isReadOnly()) // CRootContainer::getFunctionList()->removeFunction(functions[Index].getKey()); //} // //} // //}