Exemplo n.º 1
0
LIBSBML_CPP_NAMESPACE_USE

int
main (int argc, char *argv[])
{
    if (argc != 2)
    {
        cout << endl << "Usage: printUnits filename" << endl << endl;
        return 1;
    }

    const char* filename   = argv[1];
    SBMLDocument* document = readSBML(filename);

    if (document->getNumErrors() > 0)
    {
        cerr << "Encountered the following SBML errors:" << endl;
        document->printErrors(cerr);
        return 1;
    }

    Model* model = document->getModel();

    if (model == 0)
    {
        cout << "No model present." << endl;
        return 1;
    }

    unsigned int i,j;
    for (i = 0; i < model->getNumSpecies(); i++)
    {
        Species* s = model->getSpecies(i);
        cout << "Species " << i << ": "
             << UnitDefinition::printUnits(s->getDerivedUnitDefinition()) << endl;
    }

    for (i = 0; i < model->getNumCompartments(); i++)
    {
        Compartment *c = model->getCompartment(i);
        cout << "Compartment " << i << ": "
             << UnitDefinition::printUnits(c->getDerivedUnitDefinition())
             << endl;
    }

    for (i = 0; i < model->getNumParameters(); i++)
    {
        Parameter *p = model->getParameter(i);
        cout << "Parameter " << i << ": "
             << UnitDefinition::printUnits(p->getDerivedUnitDefinition())
             << endl;
    }


    for (i = 0; i < model->getNumInitialAssignments(); i++)
    {
        InitialAssignment *ia = model->getInitialAssignment(i);
        cout << "InitialAssignment " << i << ": "
             << UnitDefinition::printUnits(ia->getDerivedUnitDefinition()) << endl;
        cout << "        undeclared units: ";
        cout << (ia->containsUndeclaredUnits() ? "yes\n" : "no\n");
    }

    for (i = 0; i < model->getNumEvents(); i++)
    {
        Event *e = model->getEvent(i);
        cout << "Event " << i << ": " << endl;

        if (e->isSetDelay())
        {
            cout << "Delay: "
                 << UnitDefinition::printUnits(e->getDelay()->getDerivedUnitDefinition()) << endl;
            cout << "        undeclared units: ";
            cout << (e->getDelay()->containsUndeclaredUnits() ? "yes\n" : "no\n");
        }

        for (j = 0; j < e->getNumEventAssignments(); j++)
        {
            EventAssignment *ea = e->getEventAssignment(j);
            cout << "EventAssignment " << j << ": "
                 << UnitDefinition::printUnits(ea->getDerivedUnitDefinition()) << endl;
            cout << "        undeclared units: ";
            cout << (ea->containsUndeclaredUnits() ? "yes\n" : "no\n");
        }
    }

    for (i = 0; i < model->getNumReactions(); i++)
    {
        Reaction *r = model->getReaction(i);

        cout << "Reaction " << i << ": " << endl;

        if (r->isSetKineticLaw())
        {
            cout << "Kinetic Law: "
                 << UnitDefinition::printUnits(r->getKineticLaw()->getDerivedUnitDefinition()) << endl;
            cout << "        undeclared units: ";
            cout << (r->getKineticLaw()->containsUndeclaredUnits() ? "yes\n" : "no\n");
        }

        for (j = 0; j < r->getNumReactants(); j++)
        {
            SpeciesReference *sr = r->getReactant(j);

            if (sr->isSetStoichiometryMath())
            {
                cout << "Reactant stoichiometryMath" << j << ": "
                     << UnitDefinition::printUnits(sr->getStoichiometryMath()->getDerivedUnitDefinition()) << endl;
                cout << "        undeclared units: ";
                cout << (sr->getStoichiometryMath()->containsUndeclaredUnits() ? "yes\n" : "no\n");
            }
        }

        for (j = 0; j < r->getNumProducts(); j++)
        {
            SpeciesReference *sr = r->getProduct(j);

            if (sr->isSetStoichiometryMath())
            {
                cout << "Product stoichiometryMath" << j << ": "
                     << UnitDefinition::printUnits(sr->getStoichiometryMath()->getDerivedUnitDefinition()) << endl;
                cout << "        undeclared units: ";
                cout << (sr->getStoichiometryMath()->containsUndeclaredUnits() ? "yes\n" : "no\n");
            }
        }
    }

    for (i = 0; i < model->getNumRules(); i++)
    {
        Rule *r = model->getRule(i);
        cout << "Rule " << i << ": "
             << UnitDefinition::printUnits(r->getDerivedUnitDefinition()) << endl;
        cout << "        undeclared units: ";
        cout << (r->containsUndeclaredUnits() ? "yes\n" : "no\n");
    }

    delete document;
    return 0;
}
Exemplo n.º 2
0
/* create MOLECULE */
map< string,Id > SbmlReader::createMolecule( map< string,Id > &idMap )
{	
	map<string,Id>molMap;
	static const Cinfo* moleculeCinfo = initMoleculeCinfo();
	static const Finfo* modeFinfo = moleculeCinfo->findFinfo( "mode" );
	static const Finfo* nInitFinfo = moleculeCinfo->findFinfo( "nInit" );	
	static const Cinfo* kincomptCinfo = initKinComptCinfo();
	static const Finfo* dimensionFinfo = kincomptCinfo->findFinfo( "numDimensions" );
	static const Finfo* sizeFinfo = kincomptCinfo->findFinfo( "size" );
	int num_species = model_->getNumSpecies();
	//cout << "num species: " << num_species << endl;
	for ( int sindex = 0; sindex < num_species; sindex++ )
	{
		Species* s = model_->getSpecies(sindex);
		if (!s){
			//cout << "species " << sindex << " is nul" << endl;
			continue;
		}
		std::string compt = "";		
		if ( s->isSetCompartment() )		
			compt = s->getCompartment();
		if (compt.length()< 1){
			cout << "compt is empty for species "<< sindex << endl;
			continue;
		}
		string id = s->getId();
		//cout<<"species is :"<<id<<endl;
		if (id.length() < 1){
			continue;
		}
		/*std::string name = "";
		if ( s->isSetName() ){
			name = s->getName();
		}*/ 
		Id comptEl = idMap[compt];
		molecule_ = Neutral::create( "Molecule",id,comptEl,Id::scratchId() );//create Molecule
		molMap[id] = comptEl; 
		elmtMap_[id] = Eref( molecule_ );
		//printNotes(s);
		UnitDefinition * ud = s->getDerivedUnitDefinition();
		assert(ud != NULL);
		/*string udef = UnitDefinition::printUnits(ud);
		//cout << "species unit :" << udef << endl;*/
		double initvalue =0.0;
		if ( s->isSetInitialConcentration() )
			initvalue = s->getInitialConcentration();
		else if ( s->isSetInitialAmount() )
			initvalue = s->getInitialAmount() ;
		else {
			cout << "Invalid SBML: Either initialConcentration or initialAmount must be set." << endl;
			return molMap;
		}
		double transvalue = transformUnits(1,ud);
		//cout << "initAmount: " << initvalue << endl;
		transvalue *= initvalue;
		//cout << "transvalue: " << transvalue << endl;
		unsigned int dimension;
        	get< unsigned int >( comptEl.eref(), dimensionFinfo,dimension );
		bool initconc = s->isSetInitialConcentration();
		if ( dimension > 0 &&  initconc) { 
			double size;
			get< double > (comptEl.eref(),sizeFinfo,size); 		
			transvalue *= size;	
		}
		::set< double >( molecule_, nInitFinfo, transvalue ); //initialAmount 	
		bool cons=s->getConstant(); 
		bool bcondition = s->getBoundaryCondition();
		if (cons){
			::set< int >( molecule_,modeFinfo,4 );
			//cout << "set constant 4" << endl;
		}else if (bcondition) {
			::set< int >( molecule_,modeFinfo,1 );
			//cout << "set constant 1" << endl;
		}else {
			::set< int >( molecule_,modeFinfo,0 );
			//cout << "set constant 0" << endl;	
		}
	}
	return molMap;
}
Exemplo n.º 3
0
/* create MOLECULE  */
const SbmlReader::sbmlStr_mooseId SbmlReader::createMolecule( map< string,Id > &comptSidMIdMap) {
    Shell* shell = reinterpret_cast< Shell* >( Id().eref().data() );
    map< string, Id >molSidcmptMIdMap;
    double transvalue = 0.0;
    int num_species = model_->getNumSpecies();

    if (num_species == 0) {
        baseId = Id();
        errorFlag_ = true;
        return molSidcmptMIdMap;
    }

    for ( int sindex = 0; sindex < num_species; sindex++ ) {
        Species* spe = model_->getSpecies(sindex);
        if (!spe) {
            continue;
        }
        std::string compt = "";
        if ( spe->isSetCompartment() ) {
            compt = spe->getCompartment();
        }
        if (compt.length()< 1) {
            //cout << "compt is empty for species "<< sindex << endl;
            continue;
        }
        string id = spe->getId();
        if (id.length() < 1) {
            continue;
        }
        std::string name = "";
        if ( spe->isSetName() ) {
            name = spe->getName();
            name = nameString(name);
        }
        if (name.empty())
            name = id;

        double initvalue =0.0;
        if ( spe->isSetInitialConcentration() )
            initvalue = spe->getInitialConcentration();
        else if ( spe->isSetInitialAmount() )
            initvalue = spe->getInitialAmount() ;
        else {
            unsigned int nr = model_->getNumRules();
            bool found = false;
            for ( unsigned int r = 0; r < nr; r++ ) {
                Rule * rule = model_->getRule(r);
                bool assignRule = rule->isAssignment();
                if ( assignRule ) {
                    string rule_variable = rule->getVariable();
                    if (rule_variable.compare(id) == 0) {
                        found = true;
                        break;
                    }
                }
            }
            if (found == false) {
                cout << "Invalid SBML: Either initialConcentration or initialAmount must be set or it should be found in assignmentRule but non happening for " << spe->getName() <<endl;
                return molSidcmptMIdMap;
            }
        }
        Id comptEl = comptSidMIdMap[compt];
        Id meshEntry = Neutral::child( comptEl.eref(), "mesh" );
        bool constant = spe->getConstant();
        bool boundaryCondition = spe->getBoundaryCondition();
        if (boundaryCondition == true)
            cout << "Pools having BoundaryCondition true " << name <<endl;
        Id pool;
        //If constant is true then its equivalent to BuffPool in moose
        if (constant == true)
            //if( (boundaryCondition == true) && (constant==false))
            pool = shell->doCreate("BufPool",comptEl,name,1);
        else
            pool = shell->doCreate("Pool", comptEl, name ,1);
        molSidcmptMIdMap[id] = comptEl;
        //Map to Molecule SBML id to Moose Id
        molSidMIdMap_[id] = pool;

        //shell->doAddMsg( "OneToOne",pool, "mesh", meshEntry, "mesh" );
        bool bcondition = spe->getBoundaryCondition();
        if ( constant == true && bcondition == false)
            cout <<"The species "<< name << " should not appear in reactant or product as per sbml Rules"<< endl;

        unsigned int spatialDimen =Field< unsigned int >::get( comptEl, "numDimensions");

        UnitDefinition * ud = spe->getDerivedUnitDefinition();
        assert(ud != NULL);
        bool hasonlySubUnit = spe->getHasOnlySubstanceUnits();

        //double v = Field< double >::get( comptEl.path(), "volume" );
        transvalue = transformUnits(1,ud,"substance",hasonlySubUnit);
        if (hasonlySubUnit) {
            // In Moose, no. of molecules (nInit) and unit is "item"
            if (spatialDimen > 0 && spe->isSetInitialAmount() ) {
                //transvalue *= initvalue;
                initvalue *=transvalue;
                Field < double> :: set( pool, "nInit", initvalue);
            }
        } else {
            //transvalue *=initvalue;
            initvalue *=transvalue;
            Field <double> :: set(pool, "concInit",initvalue);
        }
        //cout << " poolMap_ "<< name << " " <<transvalue << " "<< hasonlySubUnit;
        //poolMap_.insert(make_pair(id,make_tuple(name,transvalue,hasonlySubUnit)));
    }
    return molSidcmptMIdMap;

}