Ejemplo n.º 1
0
        private static int Main(string[] args)
        {
            var retval = 0;
            var sbmlns = new SBMLNamespaces(3, 1, "comp", 1);

            // create the document
            var document = new SBMLDocument(sbmlns);

            //Create our submodel
            var compdoc = (CompSBMLDocumentPlugin)(document.getPlugin("comp"));

            compdoc.setRequired(true);
            var mod1 = compdoc.createModelDefinition();

            mod1.setId("enzyme");
            mod1.setName("enzyme");
            var comp = mod1.createCompartment();

            comp.setSpatialDimensions(3);
            comp.setConstant(true);
            comp.setId("comp");
            comp.setSize(1L);
            var spec = new Species(3, 1);

            spec.setCompartment("comp");
            spec.setHasOnlySubstanceUnits(false);
            spec.setConstant(false);
            spec.setBoundaryCondition(false);
            spec.setId("S");
            mod1.addSpecies(spec);
            spec.setId("E");
            mod1.addSpecies(spec);
            spec.setId("D");
            mod1.addSpecies(spec);
            spec.setId("ES");
            mod1.addSpecies(spec);
            var rxn = new Reaction(3, 1);

            rxn.setReversible(true);
            rxn.setFast(false);
            var rxn2 = new Reaction(rxn);

            rxn.setId("J0");
            rxn2.setId("J1");
            var sr = new SpeciesReference(3, 1);

            sr.setConstant(true);
            sr.setStoichiometry(1);
            sr.setSpecies("S");
            rxn.addReactant(sr);
            sr.setSpecies("E");
            rxn.addReactant(sr);
            rxn2.addProduct(sr);
            sr.setSpecies("ES");
            rxn.addProduct(sr);
            rxn2.addReactant(sr);
            sr.setSpecies("D");
            rxn2.addProduct(sr);

            mod1.addReaction(rxn);
            mod1.addReaction(rxn2);

            // create the Model
            var model = document.createModel();

            model.setId("aggregate");

            // Create a submodel
            var mplugin = (CompModelPlugin)(model.getPlugin("comp"));
            var submod1 = mplugin.createSubmodel();

            submod1.setId("submod1");
            submod1.setModelRef("enzyme");

            var submod2 = new Submodel();

            submod2.setId("submod2");
            submod2.setModelRef("enzyme");
            mplugin.addSubmodel(submod2);

            libsbml.writeSBMLToFile(document, "enzyme_model.xml");
            document = libsbml.readSBMLFromFile("enzyme_model.xml");
            if (document == null)
            {
                Console.WriteLine("Error reading back in file.");
                retval = -1;
            }
            else
            {
                document.setConsistencyChecks(libsbml.LIBSBML_CAT_UNITS_CONSISTENCY, false);
                document.checkConsistency();
                if (document.getErrorLog().getNumFailsWithSeverity(2) > 0 ||
                    document.getErrorLog().getNumFailsWithSeverity(3) > 0)
                {
                    var stream = new OStringStream();
                    document.printErrors(stream);
                    Console.WriteLine("Errors encoutered when round-tripping  SBML file: \n" +
                                      stream.str());
                    retval = -1;
                }
                libsbml.writeSBMLToFile(document, "enzyme_model_rt.xml");
            }
            return(retval);
        }
        public static int Main(string[] args)
        {
            int            retval = 0;
            SBMLNamespaces sbmlns = new SBMLNamespaces(3, 1, "comp", 1);

            // create the document
            SBMLDocument document = new SBMLDocument(sbmlns);

            // create the Model
            Model model = document.createModel();

            // create a replacement parameter
            Parameter parameter = model.createParameter();

            parameter.setId("x");
            parameter.setConstant(true);

            // create a parameter to be a conversion factor
            Parameter param2 = model.createParameter();

            param2.setId("x_conv");
            param2.setMetaId("_110013");
            param2.setConstant(true);

            // create a parameter to be a conversion factor
            Parameter param3 = model.createParameter();

            param3.setId("lcf");
            param3.setConstant(true);

            // Convert parameter to the plugin version so we can add the new attributes and replacements to it.
            CompSBasePlugin splugin = (CompSBasePlugin)(parameter.getPlugin("comp"));

            // Add a replaced element.
            ReplacedElement rep1 = splugin.createReplacedElement();
            int             rv   = rep1.setSubmodelRef("submod1");

            rv = rep1.setConversionFactor("x_conv");
            rv = rep1.setIdRef("param1");

            // Add a second replaced element in a different way.
            ReplacedElement rep2 = new ReplacedElement();

            rv = rep2.setSubmodelRef("submod2");
            rv = rep2.setDeletion("del1");
            rv = splugin.addReplacedElement(rep2);

            //Now create a replaced element that points into a submodel.
            rep2.unsetDeletion();
            rep2.setIdRef("submod2");
            SBaseRef sbr5 = rep2.createSBaseRef();

            sbr5.setIdRef("submodelG");
            SBaseRef sbr6 = sbr5.createSBaseRef();

            sbr6.setIdRef("buriedElement");
            splugin.addReplacedElement(rep2);


            // Create a submodel
            CompModelPlugin        mplugin = (CompModelPlugin)(model.getPlugin("comp"));
            CompSBMLDocumentPlugin compdoc = (CompSBMLDocumentPlugin)(document.getPlugin("comp"));

            compdoc.setRequired(true);

            ModelDefinition moddef1 = compdoc.createModelDefinition();

            moddef1.setId("Mod1");
            Parameter m1param1 = moddef1.createParameter();

            m1param1.setId("param1");
            m1param1.setConstant(true);
            Parameter m1param2 = moddef1.createParameter();

            m1param2.setId("param2");
            m1param2.setConstant(false);
            m1param2.setValue(3.2);

            ModelDefinition moddef2 = new ModelDefinition();

            moddef2.setId("Mod2");
            Parameter subparam2 = moddef2.createParameter();

            subparam2.setId("subparam2");
            subparam2.setConstant(false);
            compdoc.addModelDefinition(moddef2);


            ExternalModelDefinition extmod1 = compdoc.createExternalModelDefinition();

            extmod1.setId("ExtMod1");
            extmod1.setSource("urn:miriam:biomodels.db:BIOMD0000000127");

            ExternalModelDefinition extmod2 = new ExternalModelDefinition();

            extmod2.setId("ExtMod2");
            extmod2.setSource("otherfile.xml");
            extmod2.setModelRef("modelnamethere");
            extmod2.setMd5("406022s908ge74sklj");
            compdoc.addExternalModelDefinition(extmod2);

            Submodel submod1 = mplugin.createSubmodel();

            submod1.setId("submod1");
            submod1.setModelRef("Mod1");
            Deletion del1 = submod1.createDeletion();

            del1.setId("deletionA");
            del1.setIdRef("param2");

            Submodel submod2 = new Submodel();

            submod2.setId("submod2");
            submod2.setModelRef("ExtMod1");
            submod2.setSubstanceConversionFactor("subcf");
            submod2.setTimeConversionFactor("tcf");
            submod2.setExtentConversionFactor("xtf");
            Deletion del2 = new Deletion();

            del2.setId("deletionB");
            del2.setMetaIdRef("_0010110");
            rv = submod2.addDeletion(del2);
            del2.setId("deletionC");
            del2.unsetMetaIdRef();
            del2.setPortRef("port2");
            rv = submod2.addDeletion(del2);
            del2.unsetId();
            del2.unsetPortRef();
            del2.setUnitRef("mph");
            rv = submod2.addDeletion(del2);
            del2.unsetUnitRef();
            del2.setIdRef("submodG");
            SBaseRef sbr = del2.createSBaseRef();

            sbr.setIdRef("element5");
            rv = submod2.addDeletion(del2);
            Deletion del3 = new Deletion();

            del3.setIdRef("submodG");
            SBaseRef sbr2 = new SBaseRef();

            sbr2.setIdRef("subsubmodQ");
            SBaseRef subsbr = sbr2.createSBaseRef();

            subsbr.setPortRef("toBdel");
            del3.setSBaseRef(sbr2);
            submod2.addDeletion(del3);
            mplugin.addSubmodel(submod2);

            Port port1 = mplugin.createPort();

            port1.setId("port1");
            port1.setMetaIdRef("_110013");
            Port port2 = new Port();

            port2.setId("port2");
            port2.setIdRef("x");
            mplugin.addPort(port2);
            port2.setId("port3");
            port2.setIdRef("submod2");
            port2.setSBaseRef(sbr2);
            mplugin.addPort(port2);

            libsbml.writeSBMLToFile(document, "comp_example1.xml");
            document = libsbml.readSBMLFromFile("comp_example1.xml");
            if (document == null)
            {
                Console.WriteLine("Error reading back in file.");
                retval = -1;
            }
            else
            {
                document.setConsistencyChecks(libsbml.LIBSBML_CAT_UNITS_CONSISTENCY, false);
                document.checkConsistency();
                if (document.getErrorLog().getNumFailsWithSeverity(2) > 0 ||
                    document.getErrorLog().getNumFailsWithSeverity(3) > 0)
                {
                    OStringStream stream = new OStringStream();
                    document.printErrors(stream);
                    Console.WriteLine("Errors encoutered when round-tripping  SBML file: \n" +
                                      stream.str());
                    retval = -1;
                }
                libsbml.writeSBMLToFile(document, "comp_example1_rt.xml");
            }

            return(retval);
        }
        private static int Main(string[] args)
        {
            var retval = 0;
            var sbmlns = new SBMLNamespaces(3, 1, "comp", 1);

            // create the document
            var document = new SBMLDocument(sbmlns);
            var compdoc  = (CompSBMLDocumentPlugin)(document.getPlugin("comp"));

            compdoc.setRequired(true);

            var mod1 = compdoc.createModelDefinition();

            mod1.setId("enzyme");
            mod1.setName("enzyme");
            var comp = mod1.createCompartment();

            comp.setSpatialDimensions(3);
            comp.setConstant(true);
            comp.setId("comp");
            comp.setSize(1L);
            var spec = new Species(sbmlns);

            //We have to construct it this way because we get the comp plugin from it later.
            spec.setCompartment("comp");
            spec.setHasOnlySubstanceUnits(false);
            spec.setConstant(false);
            spec.setBoundaryCondition(false);
            spec.setId("S");
            mod1.addSpecies(spec);
            spec.setId("E");
            mod1.addSpecies(spec);
            spec.setId("D");
            mod1.addSpecies(spec);
            spec.setId("ES");
            mod1.addSpecies(spec);

            var rxn = new Reaction(sbmlns);

            rxn.setReversible(true);
            rxn.setFast(false);
            var rxn2 = new Reaction(sbmlns);

            rxn2.setReversible(true);
            rxn2.setFast(false);
            rxn.setId("J0");
            rxn2.setId("J1");
            var sr = new SpeciesReference(3, 1);

            sr.setConstant(true);
            sr.setStoichiometry(1);
            sr.setSpecies("S");
            rxn.addReactant(sr);
            sr.setSpecies("E");
            rxn.addReactant(sr);
            rxn2.addProduct(sr);
            sr.setSpecies("ES");
            rxn.addProduct(sr);
            rxn2.addReactant(sr);
            sr.setSpecies("D");
            rxn2.addProduct(sr);

            mod1.addReaction(rxn);
            mod1.addReaction(rxn2);

            var mod1plug = (CompModelPlugin)(mod1.getPlugin("comp"));
            var m1port   = new Port();

            m1port.setIdRef("comp");
            m1port.setId("comp_port");
            mod1plug.addPort(m1port);
            m1port.setIdRef("S");
            m1port.setId("S_port");
            mod1plug.addPort(m1port);
            m1port.setIdRef("E");
            m1port.setId("E_port");
            mod1plug.addPort(m1port);
            m1port.setIdRef("D");
            m1port.setId("D_port");
            mod1plug.addPort(m1port);
            m1port.setIdRef("ES");
            m1port.setId("ES_port");
            mod1plug.addPort(m1port);
            m1port.setIdRef("J0");
            m1port.setId("J0_port");
            mod1plug.addPort(m1port);
            m1port.setIdRef("J1");
            m1port.setId("J1_port");
            mod1plug.addPort(m1port);


            //Define the 'simple' model
            var mod2 = compdoc.createModelDefinition();

            mod2.setId("simple");
            var comp2 = mod2.createCompartment();

            comp2.setSpatialDimensions(3);
            comp2.setConstant(true);
            comp2.setId("comp");
            comp2.setSize(1L);

            spec.setCompartment("comp");
            spec.setHasOnlySubstanceUnits(false);
            spec.setConstant(false);
            spec.setBoundaryCondition(false);
            spec.setId("S");
            spec.setInitialConcentration(5);
            mod2.addSpecies(spec);
            spec.setId("D");
            spec.setInitialConcentration(10);
            mod2.addSpecies(spec);

            var rxn3 = new Reaction(sbmlns);

            //We have to construct it this way because we get the comp plugin from it later.
            rxn3.setReversible(true);
            rxn3.setFast(false);
            rxn3.setId("J0");

            var sr2 = new SpeciesReference(3, 1); //These will not need plugins.

            sr2.setConstant(true);
            sr2.setStoichiometry(1);
            sr2.setSpecies("S");
            rxn3.addReactant(sr2);
            sr2.setSpecies("D");
            rxn3.addProduct(sr2);

            mod2.addReaction(rxn3);

            var mod2plug = (CompModelPlugin)(mod2.getPlugin("comp"));
            var port     = new Port();

            port.setId("S_port");
            port.setIdRef("S");
            mod2plug.addPort(port);

            var port2 = mod2plug.createPort();

            port2.setId("D_port");
            port2.setIdRef("D");

            port.setId("comp_port");
            port.setIdRef("comp");
            mod2plug.addPort(port);

            port.setId("J0_port");
            port.setIdRef("J0");
            mod2plug.addPort(port);

            // create the Model
            var model = document.createModel();

            model.setId("complexified");

            // Set the submodels
            var mplugin = (CompModelPlugin)(model.getPlugin("comp"));
            var submod1 = mplugin.createSubmodel();

            submod1.setId("A");
            submod1.setModelRef("enzyme");
            var submod2 = mplugin.createSubmodel();

            submod2.setId("B");
            submod2.setModelRef("simple");
            var del = submod2.createDeletion();

            del.setPortRef("J0_port");
            del.setId("oldrxn");

            // Synchronize the compartments
            var mcomp = model.createCompartment();

            mcomp.setSpatialDimensions(3);
            mcomp.setConstant(true);
            mcomp.setId("comp");
            mcomp.setSize(1L);
            var compartplug = (CompSBasePlugin)(mcomp.getPlugin("comp"));
            var re          = new ReplacedElement();

            re.setIdRef("comp");
            re.setSubmodelRef("A");
            compartplug.addReplacedElement(re);
            re.setSubmodelRef("B");
            re.unsetIdRef();
            re.setPortRef("comp_port");
            compartplug.addReplacedElement(re);

            //Synchronize the species
            spec.setId("S");
            spec.setInitialConcentration(5);
            var specplug = (CompSBasePlugin)(spec.getPlugin("comp"));
            var sre      = specplug.createReplacedElement();

            sre.setSubmodelRef("A");
            sre.setIdRef("S");
            var sre2 = specplug.createReplacedElement();

            sre2.setSubmodelRef("B");
            sre2.setPortRef("S_port");
            model.addSpecies(spec);

            spec.setId("D");
            spec.setInitialConcentration(10);
            sre.setIdRef("D");
            sre2.setPortRef("D_port");
            model.addSpecies(spec);

            spec.setId("E");
            spec.unsetInitialConcentration();
            sre.unsetIdRef();
            sre2.unsetIdRef();
            sre.setPortRef("E_port");
            sre2.setDeletion("oldrxn");
            model.addSpecies(spec);

            spec.setId("ES");
            spec.unsetInitialConcentration();
            sre.setPortRef("ES_port");
            sre2.setDeletion("oldrxn");
            model.addSpecies(spec);

            //Synchronize the reactions
            var rxn1plug = (CompSBasePlugin)(rxn.getPlugin("comp"));
            var rxn2plug = (CompSBasePlugin)(rxn2.getPlugin("comp"));
            var deletion = new ReplacedElement();

            deletion.setDeletion("oldrxn");
            deletion.setSubmodelRef("B");
            rxn1plug.addReplacedElement(deletion);
            rxn2plug.addReplacedElement(deletion);
            var re2 = new ReplacedElement();

            re2.setSubmodelRef("A");
            re2.setPortRef("J0_port");
            rxn1plug.addReplacedElement(re2);
            re2.setPortRef("J1_port");
            rxn2plug.addReplacedElement(re2);

            model.addReaction(rxn);
            model.addReaction(rxn2);


            libsbml.writeSBMLToFile(document, "spec_example4.xml");
            document = libsbml.readSBMLFromFile("spec_example4.xml");
            if (document == null)
            {
                Console.WriteLine("Error reading back in file.");
                retval = -1;
            }
            else
            {
                document.setConsistencyChecks(libsbml.LIBSBML_CAT_UNITS_CONSISTENCY, false);
                document.checkConsistency();
                if (document.getErrorLog().getNumFailsWithSeverity(2) > 0 ||
                    document.getErrorLog().getNumFailsWithSeverity(3) > 0)
                {
                    var stream = new OStringStream();
                    document.printErrors(stream);
                    Console.WriteLine("Errors encoutered when round-tripping  SBML file: \n" +
                                      stream.str());
                    retval = -1;
                }
                libsbml.writeSBMLToFile(document, "spec_example4_rt.xml");
            }
            return(retval);
        }
    static void Main(string[] args)
    {
        SBMLNamespaces sbmlns = new SBMLNamespaces(3, 1, "multi", 1);

        // create the document

        SBMLDocument document = new SBMLDocument(sbmlns);

        // set the required attribute to true
        SBMLDocumentPlugin docPlug =
            (SBMLDocumentPlugin)(document.getPlugin("multi"));

        docPlug.setRequired(true);


        // create the Model

        Model model = document.createModel();

        // create the compartments

        Compartment c = model.createCompartment();

        c.setId("membrane");
        c.setConstant(true);

        // set the multi attribute isType via the compartmentPlugin
        MultiCompartmentPlugin compPlug =
            (MultiCompartmentPlugin)(c.getPlugin("multi"));

        compPlug.setIsType(true);

        // create the speciesTypes

        MultiModelPlugin modelPlug =
            (MultiModelPlugin)(model.getPlugin("multi"));

        MultiSpeciesType st = modelPlug.createMultiSpeciesType();

        st.setId("stX");
        st.setCompartment("membrane");

        // create species
        Species s = model.createSpecies();

        s.setId("s1");
        s.setCompartment("membrane");
        s.setBoundaryCondition(false);
        s.setHasOnlySubstanceUnits(false);
        s.setConstant(false);

        // set the multi attribute speciesType via the compartmentPlugin
        MultiSpeciesPlugin spPlug =
            (MultiSpeciesPlugin)(s.getPlugin("multi"));

        spPlug.setSpeciesType("stX");

        // create species feature
        SpeciesFeature sf = spPlug.createSpeciesFeature();

        sf.setSpeciesFeatureType("a");
        sf.setOccur(1);
        sf.setComponent("b");

        SpeciesFeatureValue sfv = sf.createSpeciesFeatureValue();

        sfv.setValue("c");

        // create a subListOfSpeciesFeatures
        SubListOfSpeciesFeatures subloSF = spPlug.createSubListOfSpeciesFeatures();

        subloSF.setRelation(libsbml.Relation_fromString("and"));

        // add speciesFeatures to the subList
        SpeciesFeature sf1 = new SpeciesFeature(3, 1, 1);

        sf1.setSpeciesFeatureType("a1");
        sf1.setOccur(1);
        sf1.setComponent("b1");

        SpeciesFeatureValue sfv1 = sf1.createSpeciesFeatureValue();

        sfv1.setValue("c1");

        subloSF.appendAndOwn(sf1);

        sf1 = new SpeciesFeature(3, 1, 1);
        sf1.setSpeciesFeatureType("a2");
        sf1.setOccur(1);
        sf1.setComponent("b2");

        sfv1 = sf1.createSpeciesFeatureValue();
        sfv1.setValue("c2");

        subloSF.appendAndOwn(sf1);

        // create a second subListOfSpeciesfeatures
        subloSF = spPlug.createSubListOfSpeciesFeatures();
        subloSF.setRelation(libsbml.Relation_fromString("or"));

        sf1 = new SpeciesFeature(3, 1, 1);
        sf1.setSpeciesFeatureType("a3");
        sf1.setOccur(1);
        sf1.setComponent("b3");

        sfv1 = sf1.createSpeciesFeatureValue();
        sfv1.setValue("c3");

        subloSF.appendAndOwn(sf1);

        sf1 = new SpeciesFeature(3, 1, 1);
        sf1.setSpeciesFeatureType("a4");
        sf1.setOccur(1);
        sf1.setComponent("b4");

        sfv1 = sf1.createSpeciesFeatureValue();
        sfv1.setValue("c4");

        subloSF.appendAndOwn(sf1);

        libsbml.writeSBML(document, "multi_example3.xml");
    }
Ejemplo n.º 5
0
        private static int Main(string[] args)
        {
            var sbmlns = new SBMLNamespaces(3, 1, "comp", 1);

            // create the document
            var document = new SBMLDocument(sbmlns);

            //Define the external model definitions
            var compdoc = (CompSBMLDocumentPlugin)(document.getPlugin("comp"));

            compdoc.setRequired(true);
            var extmod = compdoc.createExternalModelDefinition();

            extmod.setId("ExtMod1");
            extmod.setSource("enzyme_model.xml");
            extmod.setModelRef("enzyme");


            // create the main Model
            var model = document.createModel();

            // Set the submodels
            var mplugin = (CompModelPlugin)(model.getPlugin("comp"));
            var submod1 = mplugin.createSubmodel();

            submod1.setId("A");
            submod1.setModelRef("ExtMod1");
            var submod2 = mplugin.createSubmodel();

            submod2.setId("B");
            submod2.setModelRef("ExtMod1");

            // create a replacement compartment
            var comp = model.createCompartment();

            comp.setSpatialDimensions(3);
            comp.setConstant(true);
            comp.setId("comp");
            comp.setSize(1L);

            //Tell the model that this compartment replaces both of the inside ones.
            var compartplug = (CompSBasePlugin)(comp.getPlugin("comp"));
            var re          = new ReplacedElement();

            re.setIdRef("comp");
            re.setSubmodelRef("A");
            compartplug.addReplacedElement(re);
            re.setSubmodelRef("B");
            compartplug.addReplacedElement(re);

            // create a replacement species
            var spec = model.createSpecies();

            spec.setCompartment("comp");
            spec.setHasOnlySubstanceUnits(false);
            spec.setConstant(false);
            spec.setBoundaryCondition(false);
            spec.setId("S");

            //Tell the model that this species replaces both of the inside ones.
            var spp = (CompSBasePlugin)(spec.getPlugin("comp"));

            re.setIdRef("S");
            re.setSubmodelRef("A");
            spp.addReplacedElement(re);
            re.setSubmodelRef("B");
            spp.addReplacedElement(re);


            libsbml.writeSBMLToFile(document, "spec_example2.xml");
            document = libsbml.readSBMLFromFile("spec_example2.xml");
            if (document == null)
            {
                Console.WriteLine("Error reading back in file.");
                return(-1);
            }
            else
            {
                document.setConsistencyChecks(libsbml.LIBSBML_CAT_UNITS_CONSISTENCY, false);
                document.checkConsistency();
                if (document.getErrorLog().getNumFailsWithSeverity(2) > 0 ||
                    document.getErrorLog().getNumFailsWithSeverity(3) > 0)
                {
                    var stream = new OStringStream();
                    document.printErrors(stream);
                    Console.WriteLine("Errors encoutered when round-tripping  SBML file: \n" +
                                      stream.str());
                    return(-1);
                }
                libsbml.writeSBMLToFile(document, "spec_example2_rt.xml");
            }

            return(0);
        }