// Copyright (C) 2021 - 2024 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("exporting sedml file with non-zero initial time", "[copasi][sedml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); dm->newModel(NULL, true); auto * model = dm->getModel(); auto * r = model->createReaction("R1"); r->setReactionScheme("A -> B"); model->setInitialTime(10.0); model->updateInitialValues(model->getInitialValueReference(), false); auto & task = dynamic_cast((*dm->getTaskList())["Time-Course"]); task.setScheduled(true); auto * problem = dynamic_cast< CTrajectoryProblem * >(task.getProblem()); REQUIRE(problem != nullptr); problem->setDuration(10); problem->setStepNumber(100); std::string sedml = dm->exportSEDMLToString(NULL, 1, 4); REQUIRE(sedml.find("setInitialTime(0.0); model->updateInitialValues(model->getInitialValueReference(), false); // also reset the task values, to see that hey are updated correctly problem->setDuration(1); problem->setStepNumber(10); auto * doc = readSedMLFromString(sedml.c_str()); REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0); auto * sim = dynamic_cast(doc->getSimulation(0)); REQUIRE(sim != nullptr); SEDMLImporter imp; imp.setDataModel(dm); imp.initializeContent(); imp.setSEDMLDocument(doc); imp.setCopasiModel(model); imp.updateCopasiTaskForSimulation(sim, dm->getTaskList()); REQUIRE(problem->getDuration() == 10); REQUIRE(problem->getStepNumber() == 100); delete doc; CRootContainer::removeDatamodel(dm); } TEST_CASE("exporting sedml file with non-zero start time", "[copasi][sedml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); dm->newModel(NULL, true); auto * model = dm->getModel(); auto * r = model->createReaction("R1"); r->setReactionScheme("A -> B"); auto & task = dynamic_cast< CTrajectoryTask & >((*dm->getTaskList())["Time-Course"]); task.setScheduled(true); auto * problem = dynamic_cast< CTrajectoryProblem * >(task.getProblem()); REQUIRE(problem != nullptr); problem->setOutputStartTime(5); problem->setDuration(10); problem->setStepNumber(40); std::string sedml = dm->exportSEDMLToString(NULL, 1, 4); // also reset the task values, to see that hey are updated correctly problem->setDuration(1); problem->setStepNumber(10); auto * doc = readSedMLFromString(sedml.c_str()); REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0); auto * sim = dynamic_cast< SedUniformTimeCourse * >(doc->getSimulation(0)); REQUIRE(sim != nullptr); REQUIRE(sim->getInitialTime() == 0); REQUIRE(sim->getOutputStartTime() == 5); REQUIRE(sim->getOutputEndTime() == 10); REQUIRE(sim->getNumberOfPoints() == 20); SEDMLImporter imp; imp.setDataModel(dm); imp.initializeContent(); imp.setSEDMLDocument(doc); imp.setCopasiModel(model); imp.updateCopasiTaskForSimulation(sim, dm->getTaskList()); REQUIRE(problem->getOutputStartTime() == 5); REQUIRE(problem->getDuration() == 10); REQUIRE(problem->getStepNumber() == 40); delete doc; CRootContainer::removeDatamodel(dm); } TEST_CASE("convert sedml types and colors", "[copasi][sedml]") { REQUIRE(SEDMLUtils::argbToRgba("112233") == "#112233"); REQUIRE(SEDMLUtils::argbToRgba("#F0C800") == "#F0C800"); REQUIRE(SEDMLUtils::argbToRgba("#FFF0C800") == "#F0C800FF"); REQUIRE(SEDMLUtils::argbToRgba("FFF0C800") == "#F0C800FF"); REQUIRE(SEDMLUtils::argbToRgba("FFF0C800", false) == "F0C800FF"); REQUIRE(SEDMLUtils::argbToRgba("#FF0000", false) == "FF0000"); REQUIRE(SEDMLUtils::rgbaToArgb("112233") == "#112233"); REQUIRE(SEDMLUtils::rgbaToArgb("#F0C800") == "#F0C800"); REQUIRE(SEDMLUtils::rgbaToArgb("#F0C800FF") == "#FFF0C800"); REQUIRE(SEDMLUtils::rgbaToArgb("F0C800FF") == "#FFF0C800"); REQUIRE(SEDMLUtils::rgbaToArgb("F0C800FF", false) == "FFF0C800"); REQUIRE(SEDMLUtils::rgbaToArgb("#FF0000", false) == "FF0000"); REQUIRE(SEDMLUtils::lineTypeFromSed(SEDML_LINETYPE_SOLID) == (int) CPlotItem::LineStyle::Solid); REQUIRE(SEDMLUtils::lineTypeFromSed(SEDML_LINETYPE_DASH) == (int) CPlotItem::LineStyle::Dashed); REQUIRE(SEDMLUtils::lineTypeFromSed(SEDML_LINETYPE_DOT) == (int) CPlotItem::LineStyle::Dotted); REQUIRE(SEDMLUtils::lineTypeToSed((int) CPlotItem::LineStyle::Solid) == SEDML_LINETYPE_SOLID); REQUIRE(SEDMLUtils::lineTypeToSed((int) CPlotItem::LineStyle::Dashed) == SEDML_LINETYPE_DASH); REQUIRE(SEDMLUtils::lineTypeToSed((int) CPlotItem::LineStyle::Dotted) == SEDML_LINETYPE_DOT); REQUIRE(SEDMLUtils::symbolFromSed(SEDML_MARKERTYPE_CIRCLE) == (int) CPlotItem::SymbolType::Circle); REQUIRE(SEDMLUtils::symbolFromSed(SEDML_MARKERTYPE_STAR) == (int) CPlotItem::SymbolType::Star); REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::Circle) == SEDML_MARKERTYPE_CIRCLE); REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::Star) == SEDML_MARKERTYPE_STAR); REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::LargeCross) == SEDML_MARKERTYPE_PLUS); REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::SmallCross) == SEDML_MARKERTYPE_PLUS); REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::Plus) == SEDML_MARKERTYPE_PLUS); } TEST_CASE("importing new curves and plots", "[copasi][sedml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); REQUIRE( dm->importSEDML( getTestFile("test-data/test_shaded_area_overlap_order.sedml") ) == true); auto* plots = dm->getPlotDefinitionList(); REQUIRE(plots->size() == 1); // test that we can export it again std::string sedml = dm->exportSEDMLToString(NULL, 1, 4); // export with sbml namespaces CSEDMLExporter exp; exp.setSBMLNamespaces(3, 1); std::string sedmlwith_ns = exp.exportModelAndTasksToString(*dm, "model.xml", 1, 4); REQUIRE(sedmlwith_ns.find("http://www.sbml.org/sbml/level3/version1/core") != std::string::npos); CRootContainer::removeDatamodel(dm); } TEST_CASE("importing variables with terms", "[copasi][sedml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); REQUIRE(dm->importSEDML(getTestFile("test-data/concentration_amount.sedml")) == true); auto * plots = dm->getPlotDefinitionList(); REQUIRE(plots->size() == 3); CRootContainer::removeDatamodel(dm); } TEST_CASE("export / import nested scan", "[copasi][sedml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); REQUIRE(dm->loadModel(getTestFile("test-data/NestedScan.cps"), NULL) == true); auto sedml = dm->exportSEDMLToString(NULL, 1, 4); auto * doc = readSedMLFromString(sedml.c_str()); REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0); REQUIRE(doc->getDataGenerator("Rtot_1_task3") == NULL); REQUIRE(doc->getDataGenerator("Rtot_1_task5") != NULL); // the model has a timecourse, and a steady state scan with 3 variables, as such it should not be complex REQUIRE(SedmlInfo(doc).isComplex() == false); // if we had another time course then it should be complex { auto * task = doc->getTask(0)->clone(); task->setId("anotherTaks"); doc->getListOfTasks()->appendAndOwn(task); REQUIRE(SedmlInfo(doc).isComplex() == true); } delete doc; // now import SedmlImportOptions opts; opts.setSkipModelImport(true); dm->importSEDMLFromString(sedml, "", NULL, true, &opts); REQUIRE(dynamic_cast< CScanProblem * >(dm->getTaskList()->operator[]("Scan").getProblem())->getNumberOfScanItems() == 3); CRootContainer::removeDatamodel(dm); } TEST_CASE("Export different plot styles", "[copasi][sedml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); REQUIRE(dm->loadModel(getTestFile("test-data/brusselator.cps"), NULL) == true); auto * m = dm->getModel(); REQUIRE(m != NULL); // export sbml so we have sbml ids std::string sbml = dm->exportSBMLToString(NULL, 3, 1); // export sedml std::string sedml = dm->exportSEDMLToString(NULL, 1, 4); auto * doc = readSedMLFromString(sedml.c_str()); REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0); delete doc; CRootContainer::removeDatamodel(dm); } TEST_CASE("generating variables with terms", "[copasi][sedml]") { auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); REQUIRE(dm->loadModel(getTestFile("test-data/brusselator.cps"), NULL) == true); auto * m = dm->getModel(); auto * pMV = m->createModelValue("g_mv", 1); // export to sbml so we have sbml ids for everything std::string sbml = dm->exportSBMLToString(NULL, 3, 1); { REQUIRE(VariableInfo(m).getSymbol() == SEDML_TIME_URN); REQUIRE(VariableInfo(m->getValueReference()).getSymbol() == SEDML_TIME_URN); } { REQUIRE(VariableInfo(&m->getCompartments()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfCompartments/sbml:compartment[@id='compartment']"); REQUIRE(VariableInfo(m->getCompartments()[0].getRateReference()).getTerm() == SEDML_KISAO_RATE); } { REQUIRE(VariableInfo(&m->getMetabolites()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfSpecies/sbml:species[@id='X']"); REQUIRE(VariableInfo(m->getMetabolites()[0].getConcentrationReference()).getTerm() == SEDML_KISAO_CONCENTRATION); REQUIRE(VariableInfo(m->getMetabolites()[0].getValueReference()).getTerm() == SEDML_KISAO_PARTICLENUMBER); REQUIRE(VariableInfo(m->getMetabolites()[0].getConcentrationRateReference()).getTerm() == SEDML_KISAO_CONCENTRATION_RATE); REQUIRE(VariableInfo(m->getMetabolites()[0].getRateReference()).getTerm() == SEDML_KISAO_PARTICLE_RATE); } { REQUIRE(VariableInfo(&m->getModelValues()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfParameters/sbml:parameter[@id='g_mv']"); REQUIRE(VariableInfo(m->getModelValues()[0].getRateReference()).getTerm() == SEDML_KISAO_RATE); } { REQUIRE(VariableInfo(&m->getReactions()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfReactions/sbml:reaction[@id='R1']"); REQUIRE(VariableInfo(m->getReactions()[0].getFluxReference()).getTerm() == SEDML_KISAO_FLUX); REQUIRE(VariableInfo(m->getReactions()[0].getParameterObjects("k1").at(0)).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfReactions/sbml:reaction[@id='R1']/sbml:kineticLaw/sbml:listOfParameters/sbml:parameter[@id='k1']"); } CRootContainer::removeDatamodel(dm); } TEST_CASE("importing document with remote model should fail", "[copasi][sedml]") { // generate sedml auto* doc = new SedDocument(1, 4); auto* model = doc->createModel(); model->setId("model"); model->setLanguage("urn:sedml:language:sbml"); model->setSource("urn:miriam:biomodels.db:BIOMD0000000005"); auto sedml = writeSedMLToStdString(doc); delete doc; auto * dm = CRootContainer::addDatamodel(); REQUIRE(dm != nullptr); try { dm->importSEDMLFromString(sedml, "", NULL, true); } catch (const CCopasiException& e) { REQUIRE(e.getMessage().getText().find("remote") != std::string::npos); } CRootContainer::removeDatamodel(dm); }