void
AssignmentCycles::addReactionDependencies(const Model& m, const Reaction& object)
{
unsigned int ns;
std::string thisId = object.getId();
/* loop thru the list of names in the Math
* if they refer to a Reaction, an Assignment Rule
* or an Initial Assignment add to the map
* with the variable as key
*/
List* variables = object.getKineticLaw()->getMath()
->getListOfNodes( ASTNode_isName );
for (ns = 0; ns < variables->getSize(); ns++)
{
ASTNode* node = static_cast<ASTNode*>( variables->get(ns) );
string name = node->getName() ? node->getName() : "";
if (m.getReaction(name))
{
mIdMap.insert(pair<const std::string, std::string>(thisId, name));
}
else if (m.getRule(name) && m.getRule(name)->isAssignment())
{
mIdMap.insert(pair<const std::string, std::string>(thisId, name));
}
else if (m.getInitialAssignment(name))
{
mIdMap.insert(pair<const std::string, std::string>(thisId, name));
}
}
delete variables;
}
/*
* Logs a message about species with boundary condition false
* being set by reaction and rules
*/
void
SpeciesReactionOrRule::logConflict (const Species& s, const Reaction& r)
{
msg =
//"A <species>'s quantity cannot be determined simultaneously by both "
//"reactions and rules. More formally, if the identifier of a <species> "
//"definition having 'boundaryCondition'='false' and 'constant'='false' is "
//"referenced by a <speciesReference> anywhere in a model, then this "
//"identifier cannot also appear as the value of a 'variable' in an "
//"<assignmentRule> or a <rateRule>. (References: L2V1 Section 4.6.5; L2V2 "
//"Section 4.8.6; L2V3 Section 4.8.6.)
"The species '";
msg += s.getId();
msg += "' occurs in both a rule and reaction '";
msg += r.getId();
msg += "'.";
logFailure(s);
}
/*
* Logs a message about an undefined variable in the given
* FunctionDefinition.
*/
void
KineticLawVars::logUndefined ( const Reaction& r,
const string& varname )
{
msg =
//"All species referenced in the <kineticLaw> formula of a given reaction "
//"must first be declared using <speciesReference> or "
//"<modifierSpeciesReference>. More formally, if a <species> identifier "
//"appears in a 'ci' element of a <reaction>'s <kineticLaw> formula, that "
//"same identifier must also appear in at least one <speciesReference> or "
//"<modifierSpeciesReference> in the <reaction> definition. (References: "
//"L2V2 Section 4.13.5; L2V3 Section 4.13.5.)"
"The species '";
msg += varname;
msg += "' is not listed as a product, reactant, or modifier of reaction '";
msg += r.getId();
msg += "'.";
logFailure(r);
}
TEST_F(SimpleReactionTest, CheckReaction) {
using namespace std;
using namespace Helios;
using namespace Ace;
using namespace AceReaction;
McEnvironment* environment = new McEnvironment;
string name = "92235.03c";
vector<McObject*> ace_objects;
ace_objects.push_back(new AceObject(name));
/* Setup environment */
environment->pushObjects(ace_objects.begin(), ace_objects.end());
environment->setup();
/* Get isotope from ACE reader */
NeutronTable* ace_table = dynamic_cast<NeutronTable*>(AceReader::getTable(name));
/* Get reactions (inelastic scattering) */
ReactionContainer reactions = ace_table->getReactions();
/* Inelastic scattering cross section (don't include fission and elastic scattering) */
CrossSection inelastic_xs;
/* Map of MT with cross sections */
map<int,CrossSection> mt_map;
for(ReactionContainer::const_iterator it = reactions.begin() ; it != reactions.end() ; ++it) {
/* Get angular distribution type */
int angular_data = (*it).getAngular().getKind();
/* If the reaction does not contains angular data, we reach the end "secondary" particle's reactions */
if(angular_data == Ace::AngularDistribution::no_data) break;
/* Get MT of the reaction */
int mt = (*it).getMt();
/* We shouldn't include elastic and fission here */
if(mt != 18 && mt != 2) {
/* Cross section */
CrossSection xs = (*it).getXs();
/* Sum this reaction */
inelastic_xs = inelastic_xs + xs;
/* Put the cross section on the map */
mt_map[mt] = xs;
}
}
/* Get energy grid */
vector<double> energy_grid = ace_table->getEnergyGrid();
/* Energy */
double energy = 5;
/* Interpolate on energy grid */
size_t idx = upper_bound(energy_grid.begin(), energy_grid.end(), energy) - energy_grid.begin() - 1;
double factor = (energy - energy_grid[idx]) / (energy_grid[idx + 1] - energy_grid[idx]);
double inel_total = factor * (inelastic_xs[idx + 1] - inelastic_xs[idx]) + inelastic_xs[idx];
/* Reaction histogram */
map<int,double> reaction_prob;
for(map<int,CrossSection>::const_iterator it = mt_map.begin() ; it != mt_map.end() ; ++it) {
/* Inelastic xs at this energy (total and from this reaction) */
double inel_rea = factor * ((*it).second[idx + 1] - (*it).second[idx]) + (*it).second[idx];
double prob = inel_rea / inel_total;
/* Save */
reaction_prob[(*it).first] = prob;
}
/* Sample reactions */
size_t nsamples = 100000000;
/* Get isotope */
AceIsotope* isotope = environment->getObject<AceModule,AceIsotope>(name)[0];
/* Random number */
Random random(1);
/* Samples */
map<int,double> reaction_samples;
for(size_t i = 0 ; i < nsamples ; ++i) {
Energy energy_pair(0,energy);
Reaction* rea = isotope->inelastic(energy_pair,random);
int mt = rea->getId();
reaction_samples[mt]++;
}
/* Collect samples and check results */
for(map<int,double>::iterator it = reaction_samples.begin() ; it != reaction_samples.end() ; ++it) {
(*it).second /= (double)nsamples;
/* Get difference */
double error = 100.0* fabs(reaction_prob[(*it).first] - (*it).second) / reaction_prob[(*it).first];
cout << setw(6) << (*it).first << setw(15) << scientific << (*it).second << setw(15)
<< reaction_prob[(*it).first] << setw(15) << error << endl;
}
delete environment;
}
void readSpatialSBML() {
SBMLDocument *document2 = readSBML("spatial_example0.xml");
Model *model2 = document2->getModel();
Compartment *comp;
SpatialCompartmentPlugin* cplugin;
RequiredElementsSBasePlugin* reqplugin;
for (unsigned int i = 0; i < model2->getNumCompartments(); i++) {
comp = model2->getCompartment(i);
cout << "Compartment" << i << ": " << comp->getId() << endl;
reqplugin = static_cast<RequiredElementsSBasePlugin*>(comp->getPlugin("req"));
if (!reqplugin->getMathOverridden().empty()) {
cout << "Comp" << i << " req mathOverridden: " << reqplugin->getMathOverridden() << endl;
}
cplugin = static_cast<SpatialCompartmentPlugin*>(comp->getPlugin("spatial"));
if (cplugin->getCompartmentMapping()->isSetSpatialId()) {
cout << "Comp" << i << " CMSpId: " << cplugin->getCompartmentMapping()->getSpatialId() << endl;
cout << "Comp" << i << " CM_Comp: " << cplugin->getCompartmentMapping()->getCompartment() << endl;
cout << "Comp" << i << " CM_DType: " << cplugin->getCompartmentMapping()->getDomainType() << endl;
cout << "Comp" << i << " CM_UnitSz: " << cplugin->getCompartmentMapping()->getUnitSize() << endl;
}
}
Species *sp;
SpatialSpeciesRxnPlugin* srplugin;
for (unsigned int i = 0; i < model2->getNumSpecies(); i++) {
sp = model2->getSpecies(i);
cout << "Species" << i << ": " << sp->getId() << endl;
srplugin = static_cast<SpatialSpeciesRxnPlugin*>(sp->getPlugin("spatial"));
if (srplugin->getIsSpatial()) {
cout << "species" << i << " isSpatial: " << srplugin->getIsSpatial() << endl;
}
}
Parameter *param;
SpatialParameterPlugin* pplugin;
for (unsigned int i = 0; i < model2->getNumParameters(); i++) {
param = model2->getParameter(i);
cout << "Parameter" << i << ": " << param->getId() << endl;
reqplugin = static_cast<RequiredElementsSBasePlugin*>(param->getPlugin("req"));
if (!reqplugin->getMathOverridden().empty()) {
cout << "Parameter" << i << " req mathOverridden: " << reqplugin->getMathOverridden() << endl;
}
pplugin = static_cast<SpatialParameterPlugin*>(param->getPlugin("spatial"));
if (pplugin->getSpatialSymbolReference()->isSetSpatialId()) {
cout << "Parameter" << i << " SpRefId: " << pplugin->getSpatialSymbolReference()->getSpatialId() << endl;
cout << "Parameter" << i << " SpRefType: " << pplugin->getSpatialSymbolReference()->getType() << endl;
}
if (pplugin->getDiffusionCoefficient()->isSetVariable()) {
cout << "Diff_" << i << " SpeciesVarId: " << pplugin->getDiffusionCoefficient()->getVariable() << endl;
cout << "Diff_" << i << " SpCoordIndex: " << pplugin->getDiffusionCoefficient()->getCoordinateIndex() << endl;
}
if (pplugin->getAdvectionCoefficient()->isSetVariable()) {
cout << "Adv_" << i << " SpeciesVarId: " << pplugin->getAdvectionCoefficient()->getVariable() << endl;
cout << "Adv_" << i << " SpCoordIndex: " << pplugin->getAdvectionCoefficient()->getCoordinateIndex() << endl;
}
if (pplugin->getBoundaryCondition()->isSetVariable()) {
cout << "BC_" << i << " SpeciesVarId: " << pplugin->getBoundaryCondition()->getVariable() << endl;
cout << "BC_" << i << " SpCoordBoundary: " << pplugin->getBoundaryCondition()->getCoordinateBoundary() << endl;
cout << "BC_" << i << " SpBoundaryType: " << pplugin->getBoundaryCondition()->getType() << endl;
}
}
Reaction *rxn;
for (unsigned int i = 0; i < model2->getNumReactions(); i++) {
rxn = model2->getReaction(i);
cout << "Reaction" << i << ": " << rxn->getId() << endl;
srplugin = static_cast<SpatialSpeciesRxnPlugin*>(rxn->getPlugin("spatial"));
if (srplugin->getIsLocal()) {
cout << "rxn" << i << " isLocal: " << srplugin->getIsLocal() << endl;
}
}
Rule *rule;
for (unsigned int i = 0; i < model2->getNumRules(); i++) {
rule = model2->getRule(i);
cout << "Rule" << i << ": " << rule->getVariable() << endl;
}
//
// Get a SpatialModelPlugin object plugged in the model object.
//
// The type of the returned value of SBase::getPlugin() function is
// SBasePlugin*, and thus the value needs to be cast for the
// corresponding derived class.
//
SpatialModelPlugin* mplugin2;
mplugin2 = static_cast<SpatialModelPlugin*>(model2->getPlugin("spatial"));
cout << "URI: " << mplugin2->getURI() << endl;
cout << "prefix: " << mplugin2->getPrefix() << endl;
// get a Geometry object via SpatialModelPlugin object.
Geometry* geometry2 = mplugin2->getGeometry();
cout << "Geometry coordSystem: " << geometry2->getCoordinateSystem() << endl;
// get a CoordComponent object via the Geometry object.
CoordinateComponent* coordComp = geometry2->getCoordinateComponent(0);
std::cout << "CoordComponent spatialId: " << coordComp->getSpatialId() << std::endl;
std::cout << "CoordComponent compType: " << coordComp->getComponentType() << std::endl;
std::cout << "CoordComponent sbmlUnit: " << coordComp->getSbmlUnit() << std::endl;
std::cout << "CoordComponent index: " << coordComp->getIndex() << std::endl;
BoundaryMin* minX = coordComp->getBoundaryMin();
std::cout << "minX name: " << minX->getSpatialId() << std::endl;
std::cout << "minX value: " << minX->getValue() << std::endl;
BoundaryMax* maxX = coordComp->getBoundaryMax();
std::cout << "maxX name: " << maxX->getSpatialId() << std::endl;
std::cout << "maxX value: " << maxX->getValue() << std::endl;
// get a DomainType object via the Geometry object.
DomainType* domainType2 = geometry2->getDomainType(0);
std::cout << "DomainType spatialId: " << domainType2->getSpatialId() << std::endl;
std::cout << "DomainType spatialDim: " << domainType2->getSpatialDimensions() << std::endl;
// get a Domain object via the Geometry object.
Domain* domain = geometry2->getDomain(0);
std::cout << "Domain1 spatialId: " << domain->getSpatialId() << std::endl;
std::cout << "Domain1 implicit: " << domain->getImplicit() << std::endl;
std::cout << "Domain1 domainType: " << domain->getDomainType() << std::endl;
std::cout << "Domain1 Shape: " << domain->getShapeId() << std::endl;
// get an internal point via the domain object
InteriorPoint* internalPt = domain->getInteriorPoint(0);
std::cout << "InternalPt_1 coord1: " << internalPt->getCoord1() << std::endl;
// get a Domain object via the Geometry object.
domain = geometry2->getDomain(1);
std::cout << "Domain2 spatialId: " << domain->getSpatialId() << std::endl;
std::cout << "Domain2 implicit: " << domain->getImplicit() << std::endl;
std::cout << "Domain2 domainType: " << domain->getDomainType() << std::endl;
std::cout << "Domain2 Shape: " << domain->getShapeId() << std::endl;
// get an internal point via the domain object
internalPt = domain->getInteriorPoint(0);
std::cout << "InternalPt_2 coord1: " << internalPt->getCoord1() << std::endl;
// get an AdjacentDomains object via the Geometry object.
AdjacentDomains* adjDomain = geometry2->getAdjacentDomains(0);
std::cout << "AdjDomain spatialId: " << adjDomain->getSpatialId() << std::endl;
std::cout << "AdjDomain domain1: " << adjDomain->getDomain1() << std::endl;
std::cout << "AdjDomain domain2: " << adjDomain->getDomain2() << std::endl;
// get the different GeometryDefinition objects via the Geometry object.
GeometryDefinition* gd;
for (unsigned int i = 0; i < geometry2->getNumGeometryDefinitions(); i++) {
gd = geometry2->getGeometryDefinition(i);
if (gd->isAnalyticGeometry()) {
AnalyticGeometry* analyticalGeom = static_cast<AnalyticGeometry*>(gd);
std::cout << "AnalGeom spatialId: " << analyticalGeom->getSpatialId() << std::endl;
// analVol from analGeom.
AnalyticVolume* av = analyticalGeom->getAnalyticVolume(0);
std::cout << "AnalVol spatialId: " << av->getSpatialId() << std::endl;
std::cout << "AnalVol domainType: " << av->getDomainType() << std::endl;
std::cout << "AnalVol funcType: " << av->getFunctionType() << std::endl;
std::cout << "AnalVol ordinal: " << av->getOrdinal() << std::endl;
const ASTNode* mathNode = av->getMath();
char* mathStr = writeMathMLToString(mathNode);
std::cout << "AnalVol math: " << mathStr << std::endl;
}
if (gd->isSampledFieldGeometry()) {
SampledFieldGeometry* sfGeom = static_cast<SampledFieldGeometry*>(gd);
std::cout << "SampledFieldGeom spatialId: " << sfGeom->getSpatialId() << std::endl;
// sampledField from sfGeom
SampledField* sf = sfGeom->getSampledField();
std::cout << "SampledField spatialId: " << sf->getSpatialId() << std::endl;
std::cout << "SampledField dataType: " << sf->getDataType() << std::endl;
std::cout << "SampledField interpolation: " << sf->getInterpolationType() << std::endl;
std::cout << "SampledField encoding: " << sf->getEncoding() << std::endl;
std::cout << "SampledField numSamples1: " << sf->getNumSamples1() << std::endl;
std::cout << "SampledField numSamples2: " << sf->getNumSamples2() << std::endl;
std::cout << "SampledField numSamples3: " << sf->getNumSamples3() << std::endl;
const ImageData* id = sf->getImageData();
int* samples = new int[id->getSamplesLength()];
id->getSamples(samples);
std::cout << "ImageData samples[0]: " << samples[0] << std::endl;
std::cout << "ImageData samplesLen: " << id->getSamplesLength() << std::endl;
std::cout << "ImageData dataType: " << id->getDataType() << std::endl;
// sampledVolVol from sfGeom.
SampledVolume* sv = sfGeom->getSampledVolume(0);
std::cout << "SampledVol spatialId: " << sv->getSpatialId() << std::endl;
std::cout << "SampledVol domainType: " << sv->getDomainType() << std::endl;
std::cout << "SampledVol sampledVal: " << sv->getSampledValue() << std::endl;
std::cout << "SampledVol min: " << sv->getMinValue() << std::endl;
std::cout << "SampledVol max: " << sv->getMaxValue() << std::endl;
}
if (gd->isParametricGeometry()) {
ParametricGeometry* pGeom = static_cast<ParametricGeometry*>(gd);
std::cout << "ParametricGeometry spatialId: " << pGeom->getSpatialId() << std::endl;
// parametricObject from pGeom
ParametricObject* pObj = pGeom->getParametricObject(0);
std::cout << "ParametricObj spatialId: " << pObj->getSpatialId() << std::endl;
std::cout << "ParametricObj domain: " << pObj->getDomain() << std::endl;
std::cout << "ParametricObj polygonType: " << pObj->getPolygonType() << std::endl;
const PolygonObject* po = pObj->getPolygonObject();
int* ptInd = new int[po->getIndicesLength()];
po->getPointIndices(ptInd);
std::cout << "PolygonObj ptIndices[0]: " << ptInd[0] << std::endl;
std::cout << "PolygonObj indLen: " << po->getIndicesLength() << std::endl;
// SpatialPoint from pGeom.
SpatialPoint* sp = pGeom->getSpatialPoint(0);
std::cout << "SpatialPt spatialId: " << sp->getSpatialId() << std::endl;
std::cout << "SpatialPt domain: " << sp->getDomain() << std::endl;
std::cout << "SpatialPt coord1: " << sp->getCoord1() << std::endl;
std::cout << "SpatialPt coord2: " << sp->getCoord2() << std::endl;
std::cout << "SpatialPt coord3: " << sp->getCoord3() << std::endl;
}
if (gd->isCSGeometry()) {
CSGeometry* csGeom = static_cast<CSGeometry*>(gd);
std::cout << "CSGeometry spatialId: " << csGeom->getSpatialId() << std::endl;
// CSGObject-CSGOperator from csGeom
CSGObject* csgo;
for (unsigned int i = 0; i < csGeom->getNumCSGObjects(); i++) {
csgo = csGeom->getCSGObject(i);
std::cout << "CSGObject spatialId: " << csgo->getSpatialId() << std::endl;
std::cout << "CSGObject domainType: " << csgo->getDomainType() << std::endl;
const CSGNode* csgnode = csgo->getCSGNodeRoot();
if (csgnode->isCSGTransformation()) {
CSGTransformation* transf = (CSGTransformation*)csgnode;
if (transf->isCSGScale()) {
CSGScale* scale = static_cast<CSGScale*>(transf);
std::cout << "CSGScale scaleX: " << scale->getScaleX() << std::endl;
std::cout << "CSGScale scaleY: " << scale->getScaleY() << std::endl;
std::cout << "CSGScale scaleZ: " << scale->getScaleZ() << std::endl;
const CSGNode* scaleChild = scale->getChild();
if (scaleChild->isCSGPrimitive()) {
CSGPrimitive* prim = (CSGPrimitive*)scaleChild;
std::cout << "CSGPrimitive primitiveType: " << prim->getPrimitiveType() << std::endl;
}
}
}
if (csgnode->isCSGSetOperator()) {
CSGSetOperator* setop = (CSGSetOperator*)(csgnode);
std::cout << "CSGSetOperator opType: " << setop->getOperationType() << std::endl;
for (unsigned int k = 0; k < setop->getNumCSGNodeChildren(); k++) {
CSGNode* csgNode = setop->getCSGNodeChild(k);
std::cout << "CSGNode type: " << csgNode->getTypeCode() << std::endl;
}
}
}
}
}
delete document2;
}
/**
* Load a gene network from an SBML file. Overrides Structure.load(). Format must
* be equal GeneNetwork.SBML. Note, the SBML file must be in the exact same format
* as the SBML files produced by writeSBML(). In particular, we assume that reactions are listed
* *ordered* as we do in writeSBML().
* @param filename URL to the file describing the network to load
* @param format File format (GML, DOT, etc.)
* @throws IOException
*/
void GeneNetwork::load_sbml(const char *filename) {
SBMLDocument* document;
SBMLReader reader;
document = reader.readSBML(filename);
unsigned int errors = document->getNumErrors();
if (errors > 0) {
std::cerr << "Failed to open file " << filename << std::endl;
exit(1);
}
Model *m = document->getModel();
// -----------------------------------------
// Set the network size and create the genes
// do not count the species _void_
int size = m->getNumSpecies() - 1;
ListOfSpecies *species = m->getListOfSpecies();
for (int g=0; g < size; g++) {
if (species->get(g)->getId() != "_void_") {
//HillGene hg = new HillGene(this);
//hg.setLabel(species.get(g).getId());
HillGene *n = new HillGene(species->get(g)->getId());
//n.setLabel(species->get(g)->getId());
nodes_.push_back(*n);
delete n;
}
}
x_ = Vec_DP(nodes_.size());
x_ = 0;
y_ = Vec_DP(nodes_.size());
y_ = 0;
//vector<string> parameterNames; // the names of the parameters
//vector<double> parameterValues; // the values of the parameters
std::map<std::string, double> params;
std::vector<std::string> inputNodes; // the indexes of the inputs
HillGene src, tgt;
Parameter *param;
// 2 loops for one gene: both synthesis and degradation reactions
// (we assume that reactions are listed *ordered* as we do in writeSBML())
//int counter = 0;
for (unsigned int i=0; i < m->getNumReactions(); i++) {
Reaction *re = m->getReaction(i);
std::string id = re->getId();
std::stringstream ss;
ss << i;
//::logging::log::emit<Debug>() << id.c_str() <<
// ::logging::log::endl;
tgt = nodes_.at(getIndexOfNode(getGeneReactantId(id)));
//tgt->setLabel(getGeneReactantId(*re));
//SpeciesReference *rt = re->getReactant(0);
//Node *tgt = new HillGene();
//tgt->setLabel(rt->getSpecies());
//ListOfSpeciesReferences *modifiers = re->getListOfModifiers();
for (unsigned int j=0; j < re->getNumModifiers(); j++) {
ModifierSpeciesReference *md = re->getModifier(j);
src = nodes_.at(getIndexOfNode(md->getSpecies()));
inputNodes.push_back(src.getLabel());
// set output genes
std::vector<std::string> outputs = src.getOutputGenes();
outputs.push_back(tgt.getLabel());
src.setOutputGenes(outputs);
// The edge type is unknown for now, it is initialized later
Edge *e = new Edge(&src, &tgt, "+-");
edges_.push_back(*e);
//delete src;
delete e;
}
KineticLaw *kl = re->getKineticLaw();
for(unsigned int j=0; j < kl->getNumParameters(); j++) {
param = kl->getParameter(j);
params[param->getId()] = param->getValue();
//char buf[256];
//sprintf(buf, "%s\t%f", param->getId().c_str(), param->getValue());
//::logging::log::emit<Info>() << buf << ::logging::log::endl;
}
//::logging::log::emit<Info>() << ::logging::log::dec << params.size() <<
// ::logging::log::endl;
// in the second iteration for this gene
if (i%2 == 1) {
// set parameters in gene
//tgt.initialization(params, inputNodes);
nodes_.at(getIndexOfNode(getGeneReactantId(id))).initialization(params, inputNodes);;
//char buf[256];
//sprintf(buf, "%f", params["k_1"]);
//::logging::log::emit<Info>() << buf << ::logging::log::endl;
inputNodes.clear(); // don't clear because the reference was copied to the gene
//parameterNames.clear(); // reset (they were not copied)
//parameterValues.clear();
params.clear();
}
//counter++;
}
//setEdgeTypesAccordingToDynamicalModel();
//signed_ = true;
//delete document;
//delete n;
//delete e;
}
void SBML_sim::loadSBML(SBMLDocument * doc)
{
if (!doc || doc->getNumErrors() > 0)
{
}
else
{
Model * model = doc->getModel();
ListOfParameters * params = model->getListOfParameters();
ListOfReactions * reacs = model->getListOfReactions();
ListOfSpecies * species = model->getListOfSpecies();
ListOfSpeciesTypes * types = model->getListOfSpeciesTypes();
ListOfEvents * events = model->getListOfEvents();
ListOfRules * rules = model->getListOfRules();
vector<string> assignmentEquations, rateEquations, eventTriggers;
vector< vector<string> > eventResponses;
if (events)
for (int i=0; i < events->size(); ++i)
{
Event * e = events->get(i);
eventTriggers.push_back( SBML_formulaToString( e->getTrigger()->getMath() ) );
ListOfEventAssignments * eventAssn = e->getListOfEventAssignments();
vector<string> responses;
string s;
for (int j=0; j < eventAssn->size(); ++j)
{
s = eventAssn->get(j)->getVariable();
s.append("=");
s.append( SBML_formulaToString( eventAssn->get(j)->getMath() ) );
responses.push_back(s);
}
eventResponses.push_back( responses );
}
if (rules)
for (int i=0; i < rules->size(); ++i)
{
Rule * r = rules->get(i);
if (r->isAssignment())
{
AssignmentRule * ar = (AssignmentRule*)r;
assignmentVariables.push_back(ar->getVariable());
assignmentValues.push_back(1.0);
assignmentEquations.push_back(ar->getFormula());
}
}
if (species)
for (int i=0; i < species->size(); ++i)
if (!species->get(i)->getConstant() && !species->get(i)->getBoundaryCondition())
{
variableNames.push_back(species->get(i)->getId());
if (species->get(i)->isSetInitialAmount())
variableValues.push_back(species->get(i)->getInitialAmount());
else
if (species->get(i)->isSetInitialConcentration())
variableValues.push_back(species->get(i)->getInitialConcentration());
else
variableValues.push_back(0.0);
}
else
{
parameterNames.push_back(species->get(i)->getId());
if (species->get(i)->isSetInitialAmount())
parameterValues.push_back(species->get(i)->getInitialAmount());
else
if (species->get(i)->isSetInitialConcentration())
parameterValues.push_back(species->get(i)->getInitialConcentration());
else
parameterValues.push_back(0.0);
}
if (params)
for (int i=0; i < params->size(); ++i)
{
parameterNames.push_back(params->get(i)->getId());
parameterValues.push_back(params->get(i)->getValue());
}
int numReacs = 0;
if (reacs)
numReacs = reacs->size();
stoichiometryMatrix = new double[ numReacs * variableNames.size() ];
for (int i=0; i < numReacs; ++i)
{
Reaction * r = reacs->get(i);
reactionNames.push_back(r->getId());
rateEquations.push_back(r->getKineticLaw()->getFormula());
ListOfSpeciesReferences * reactants = r->getListOfReactants(),
* products = r->getListOfProducts();
for (int j=0; j < variableNames.size(); ++j)
{
stoichiometryMatrix[ j*numReacs + i ] = 0.0;
for (int k=0; k < reactants->size(); ++k)
if (reactants->get(k) && reactants->get(k)->getSpecies() == variableNames[j])
stoichiometryMatrix[ j*numReacs + i ] -= 1.0;
//stoichiometryMatrix[ j*numReacs + i ] -= SpeciesReference_getStoichiometry(reactants->get(k));
for (int k=0; k < products->size(); ++k)
if (products->get(k) && products->get(k)->getSpecies() == variableNames[j])
stoichiometryMatrix[ j*numReacs + i ] += 1.0;
//stoichiometryMatrix[ j*numReacs + i ] += SpeciesReference_getStoichiometry(reactants->get(k));
}
}
for (int i=0; i < rateEquations.size(); ++i)
{
mu::Parser p;
addSBMLFunctions(p);
p.SetExpr(rateEquations[i]);
for (int j=0; j < variableNames.size(); ++j)
p.DefineVar("time",&(this->time));
for (int j=0; j < variableNames.size(); ++j)
p.DefineVar("Time",&(this->time));
for (int j=0; j < variableNames.size(); ++j)
p.DefineVar(variableNames[j],&variableValues[j]);
for (int j=0; j < parameterNames.size(); ++j)
p.DefineVar(parameterNames[j],¶meterValues[j]);
for (int j=0; j < assignmentVariables.size(); ++j)
p.DefineVar(assignmentVariables[j],&assignmentValues[j]);
p.SetVarFactory(muparser_add_variable, (void*)this);
try
{
p.Eval();
rateEqns.push_back(p);
}
catch(...)
{
//reactionNames.clear();
//rateEqns.clear();
break;
}
}
for (int i=0; i < assignmentEquations.size(); ++i)
{
mu::Parser p;
addSBMLFunctions(p);
p.SetExpr(assignmentEquations[i]);
for (int j=0; j < variableNames.size(); ++j)
p.DefineVar(variableNames[j],&variableValues[j]);
for (int j=0; j < parameterNames.size(); ++j)
p.DefineVar(parameterNames[j],¶meterValues[j]);
for (int j=0; j < assignmentVariables.size(); ++j)
p.DefineVar(assignmentVariables[j],&assignmentValues[j]);
//p.SetVarFactory(muparser_add_variable, (void*)this);
try
{
p.Eval();
assignmentEqns.push_back(p);
}
catch(...)
{
std::cout << assignmentEquations[i] << std::endl;
//assignmentVariables.clear();
//assignmentEqns.clear();
break;
}
}
for (int i=0; i < eventTriggers.size(); ++i)
{
mu::Parser p;
addSBMLFunctions(p);
p.SetExpr(eventTriggers[i]);
for (int j=0; j < variableNames.size(); ++j)
p.DefineVar("time",&(this->time));
for (int j=0; j < variableNames.size(); ++j)
p.DefineVar("Time",&(this->time));
for (int j=0; j < variableNames.size(); ++j)
p.DefineVar(variableNames[j],&variableValues[j]);
for (int j=0; j < parameterNames.size(); ++j)
p.DefineVar(parameterNames[j],¶meterValues[j]);
for (int j=0; j < assignmentVariables.size(); ++j)
p.DefineVar(assignmentVariables[j],&assignmentValues[j]);
try
{
p.Eval();
//resposes for the trigger
vector<mu::Parser> responses;
for (int j=0; j < eventResponses[i].size(); ++j)
{
mu::Parser p;
addSBMLFunctions(p);
p.SetExpr(eventResponses[i][j]);
try
{
p.Eval();
responses.push_back(p);
}
catch(...) {}
}
if (responses.size() > 0)
{
triggerEqns.push_back(p);
responseEqns.push_back(responses);
}
}
catch(...)
{
//assignmentVariables.clear();
//assignmentEqns.clear();
break;
}
}
//delete params;
//delete reacs;
}
}
//create REACTION
void SbmlReader::createReaction( map< string,Id > &molMap )
{
map< string,double > rctMap;
map< string,double >::iterator rctMap_iter;
map< string,double >pdtMap;
map< string,double >::iterator pdtMap_iter;
map< string,Eref >::iterator elemt_iter;
map< string,EnzymeInfo >enzInfoMap;
double rctorder,pdtorder;
static const Cinfo* moleculeCinfo = initMoleculeCinfo();
static const Finfo* reacFinfo =moleculeCinfo->findFinfo( "reac" );
static const Cinfo* reactionCinfo = initReactionCinfo();
static const Finfo* subFinfo = reactionCinfo->findFinfo( "sub" );
static const Finfo* prdFinfo = reactionCinfo->findFinfo( "prd" );
static const Finfo* kfFinfo = reactionCinfo->findFinfo( "kf" );
static const Finfo* kbFinfo = reactionCinfo->findFinfo( "kb" );
Reaction* reac;
for ( unsigned int r = 0; r < model_->getNumReactions(); r++ )
{
reac = model_->getReaction( r );
const string id=reac->getId();
//cout<<"reaction is "<<id<<endl;
std::string name;
if ( reac->isSetName() ){
name = reac->getName();
}
string grpname = getAnnotation( reac,enzInfoMap );
if ( (grpname != "") && (enzInfoMap[grpname].stage == 3) )
setupEnzymaticReaction( enzInfoMap[grpname],grpname );
else if ( grpname == "" )
{
if ( reac->getNumModifiers()> 0 )
setupMMEnzymeReaction( reac,id );
else{
bool rev=reac->getReversible();
bool fast=reac->getFast();
if ( fast ){
cout<<"warning: for now fast attribute is not handled"<<endl;
errorFlag_ = true;
}
int numRcts = reac->getNumReactants();
int numPdts = reac->getNumProducts();
if ( numRcts == 0 && numPdts != 0 ){
const SpeciesReference* pdt = reac->getProduct( 0 );
std::string spName = pdt->getSpecies();
Id parent = molMap.find( spName )->second; //gives compartment of spName
string parentCompt = parent()->name();
//cout<<"parent of reactant :"<<parentCompt<<endl;
ostringstream spId;
spId <<id<<"_Src";
molecule_ = Neutral::create( "Molecule",spId.str(),parent,Id::scratchId() );//create Molecule
molMap[spId.str()] = parent;
elmtMap_[spId.str()] = Eref( molecule_ );
::set< double >( molecule_,"conc", 1 );
::set< int >( molecule_,"mode",4 );
reaction_ = Neutral::create( "Reaction",id,parent,Id::scratchId() ); //create Reaction
Eref( reaction_ ).add( subFinfo->msg(),elmtMap_[spId.str()],reacFinfo->msg(),ConnTainer::Default );
}
else{
const SpeciesReference* rect=reac->getReactant(0);
std::string sp=rect->getSpecies();
Id m = molMap.find(sp)->second; //gives compartment of sp
reaction_ = Neutral::create( "Reaction",id,m,Id::scratchId() ); //create Reaction
double rctcount=0.0;
rctMap.clear();
for ( unsigned int rt=0;rt<reac->getNumReactants();rt++ )
{
const SpeciesReference* rct=reac->getReactant(rt);
sp=rct->getSpecies();
rctMap_iter = rctMap.find(sp);
if ( rctMap_iter != rctMap.end() ){
rctcount = rctMap_iter->second;
}
else {
rctcount = 0.0;
}
rctcount += rct->getStoichiometry();
rctMap[sp] = rctcount;
for ( int i=0;(int)i<rct->getStoichiometry();i++ )
{
Eref(reaction_).add( subFinfo->msg(),elmtMap_[sp],reacFinfo->msg(),ConnTainer::Default );
}
}
}
double pdtcount = 0.0;
pdtMap.clear();
for ( unsigned int pt=0;pt<reac->getNumProducts();pt++ )
{
const SpeciesReference* pdt=reac->getProduct(pt);
std::string sp=pdt->getSpecies();
pdtMap_iter = pdtMap.find(sp);
if ( pdtMap_iter != pdtMap.end() ){
pdtcount = pdtMap_iter->second;
}
else {
pdtcount = 0.0;
}
pdtcount += pdt->getStoichiometry();
pdtMap[sp] = pdtcount;
for ( int i=0;i<pdt->getStoichiometry();i++ )
{
Eref(reaction_).add( prdFinfo->msg(),elmtMap_[sp],reacFinfo->msg(),ConnTainer::Default );
}
}
//order of reactants
rctorder = 0.0;
string rsp = "",psp = "";
for ( rctMap_iter=rctMap.begin();rctMap_iter!=rctMap.end();rctMap_iter++ )
{
rctorder += rctMap_iter->second;
rsp=rctMap_iter->first; //species of the reactant
}
//cout<<"rct order = "<<rctorder<<endl;
//order of products
pdtorder = 0.0;
for ( pdtMap_iter=pdtMap.begin();pdtMap_iter!=pdtMap.end();pdtMap_iter++ )
{
pdtorder += pdtMap_iter->second;
psp=pdtMap_iter->first; //species of the product
}
//cout<<"pdt order = "<<pdtorder<<endl;
if ( reac->isSetKineticLaw() )
{ KineticLaw * klaw=reac->getKineticLaw();
//vector< double > rate = getKLaw( klaw,rev );
vector< double > rate;
rate.clear();
getKLaw( klaw,rev,rate );
if ( errorFlag_ )
return;
else if ( !errorFlag_ ){
::set< double >( reaction_, kfFinfo, rate[0] );
::set< double >( reaction_, kbFinfo, rate[1] );
}
}
}//else modifier
}//else
}//reaction
}//create reaction
void
CompIdBase::checkId (const Reaction& x)
{
if (x.isSetId()) doCheckId(x.getId(), x);
}
void readSpatialSBML() {
SBMLDocument *document2 = readSBML("spatial_example2.xml");
Model *model2 = document2->getModel();
Compartment *comp;
SpatialCompartmentPlugin* cplugin;
for (unsigned int i = 0; i < model2->getNumCompartments(); i++) {
comp = model2->getCompartment(i);
cout << "Compartment" << i << ": " << comp->getId() << endl;
cplugin = static_cast<SpatialCompartmentPlugin*>(comp->getPlugin("spatial"));
if (cplugin->getCompartmentMapping()->isSetId()) {
cout << "Comp" << i << " CMSpId: " << cplugin->getCompartmentMapping()->getId() << endl;
cout << "Comp" << i << " CM_DType: " << cplugin->getCompartmentMapping()->getDomainType() << endl;
cout << "Comp" << i << " CM_UnitSz: " << cplugin->getCompartmentMapping()->getUnitSize() << endl;
}
}
Species *sp;
SpatialSpeciesPlugin* srplugin;
for (unsigned int i = 0; i < model2->getNumSpecies(); i++) {
sp = model2->getSpecies(i);
cout << "Species" << i << ": " << sp->getId() << endl;
srplugin = static_cast<SpatialSpeciesPlugin*>(sp->getPlugin("spatial"));
if (srplugin->getIsSpatial()) {
cout << "species" << i << " isSpatial: " << srplugin->getIsSpatial() << endl;
}
}
Parameter *param;
SpatialParameterPlugin* pplugin;
for (unsigned int i = 0; i < model2->getNumParameters(); i++) {
param = model2->getParameter(i);
cout << "Parameter" << i << ": " << param->getId() << endl;
pplugin = static_cast<SpatialParameterPlugin*>(param->getPlugin("spatial"));
if (pplugin->isSetSpatialSymbolReference()) {
cout << "Parameter" << i << " SpRefId: " << pplugin->getSpatialSymbolReference()->getSpatialRef() << endl;
}
if (pplugin->isSetDiffusionCoefficient()) {
cout << "Diff_" << i << " SpeciesVarId: " << pplugin->getDiffusionCoefficient()->getVariable() << endl;
cout << "Diff_" << i << " Type: " << DiffusionKind_toString(pplugin->getDiffusionCoefficient()->getType()) << endl;
for (unsigned int j = 0; j < pplugin->getDiffusionCoefficient()->getNumCoordinateReferences(); ++j)
cout << "Diff_" << i << " SpCoordIndex " << j << " : " << CoordinateKind_toString(pplugin->getDiffusionCoefficient()->getCoordinateReference(j) ->getCoordinate()) << endl;
}
if (pplugin->isSetAdvectionCoefficient()) {
cout << "Adv_" << i << " SpeciesVarId: " << pplugin->getAdvectionCoefficient()->getVariable() << endl;
cout << "Adv_" << i << " SpCoordIndex: " << CoordinateKind_toString(pplugin->getAdvectionCoefficient()->getCoordinate()) << endl;
}
if (pplugin->isSetBoundaryCondition()) {
cout << "BC_" << i << " SpeciesVarId: " << pplugin->getBoundaryCondition()->getVariable() << endl;
cout << "BC_" << i << " SpCoordBoundary: " << pplugin->getBoundaryCondition()->getCoordinateBoundary() << endl;
cout << "BC_" << i << " SpBoundaryType: " << pplugin->getBoundaryCondition()->getType() << endl;
}
}
Reaction *rxn;
SpatialReactionPlugin* rplugin;
for (unsigned int i = 0; i < model2->getNumReactions(); i++) {
rxn = model2->getReaction(i);
cout << "Reaction" << i << ": " << rxn->getId() << endl;
rplugin = static_cast<SpatialReactionPlugin*>(rxn->getPlugin("spatial"));
if (rplugin->getIsLocal()) {
cout << "rxn" << i << " isLocal: " << rplugin->getIsLocal() << endl;
}
}
Rule *rule;
for (unsigned int i = 0; i < model2->getNumRules(); i++) {
rule = model2->getRule(i);
cout << "Rule" << i << ": " << rule->getVariable() << endl;
}
//
// Get a SpatialModelPlugin object plugged in the model object.
//
// The type of the returned value of SBase::getPlugin() function is
// SBasePlugin*, and thus the value needs to be cast for the
// corresponding derived class.
//
SpatialModelPlugin* mplugin2;
mplugin2 = static_cast<SpatialModelPlugin*>(model2->getPlugin("spatial"));
cout << "URI: " << mplugin2->getURI() << endl;
cout << "prefix: " << mplugin2->getPrefix() << endl;
// get a Geometry object via SpatialModelPlugin object.
Geometry* geometry2 = mplugin2->getGeometry();
cout << "Geometry coordSystem: " << geometry2->getCoordinateSystem() << endl;
// get a CoordComponent object via the Geometry object.
CoordinateComponent* coordComp = geometry2->getCoordinateComponent(0);
std::cout << "CoordComponent Id: " << coordComp->getId() << std::endl;
std::cout << "CoordComponent type: " << CoordinateKind_toString( coordComp->getType()) << std::endl;
std::cout << "CoordComponent sbmlUnit: " << coordComp->getUnit() << std::endl;
if (coordComp->isSetBoundaryMin())
{
Boundary* minX = coordComp->getBoundaryMin();
std::cout << "minX name: " << minX->getId() << std::endl;
std::cout << "minX value: " << minX->getValue() << std::endl;
}
if (coordComp->isSetBoundaryMax())
{
Boundary* maxX = coordComp->getBoundaryMax();
std::cout << "maxX name: " << maxX->getId() << std::endl;
std::cout << "maxX value: " << maxX->getValue() << std::endl;
}
// get a DomainType object via the Geometry object.
DomainType* domainType2 = geometry2->getDomainType(0);
std::cout << "DomainType Id: " << domainType2->getId() << std::endl;
std::cout << "DomainType spatialDim: " << domainType2->getSpatialDimension() << std::endl;
// get a Domain object via the Geometry object.
Domain* domain = geometry2->getDomain(0);
std::cout << "Domain1 Id: " << domain->getId() << std::endl;
std::cout << "Domain1 domainType: " << domain->getDomainType() << std::endl;
// get an internal point via the domain object
InteriorPoint* internalPt = domain->getInteriorPoint(0);
std::cout << "InternalPt_1 coord1: " << internalPt->getCoord1() << std::endl;
// get a Domain object via the Geometry object.
domain = geometry2->getDomain(1);
std::cout << "Domain2 Id: " << domain->getId() << std::endl;
std::cout << "Domain2 domainType: " << domain->getDomainType() << std::endl;
// get an internal point via the domain object
internalPt = domain->getInteriorPoint(0);
std::cout << "InternalPt_2 coord1: " << internalPt->getCoord1() << std::endl;
// get an AdjacentDomains object via the Geometry object.
AdjacentDomains* adjDomain = geometry2->getAdjacentDomains(0);
std::cout << "AdjDomain Id: " << adjDomain->getId() << std::endl;
std::cout << "AdjDomain domain1: " << adjDomain->getDomain1() << std::endl;
std::cout << "AdjDomain domain2: " << adjDomain->getDomain2() << std::endl;
// get an AnalyticGeometry object via the Geometry object.
GeometryDefinition* gd;
for (unsigned int i = 0; i < geometry2->getNumGeometryDefinitions(); i++) {
gd = geometry2->getGeometryDefinition(i);
if (gd->isAnalyticGeometry()) {
AnalyticGeometry* analyticalGeom = static_cast<AnalyticGeometry*>(gd);
std::cout << "AnalGeom Id: " << analyticalGeom->getId() << std::endl;
// analVol from analGeom.
AnalyticVolume* av = analyticalGeom->getAnalyticVolume(0);
std::cout << "AnalVol Id: " << av->getId() << std::endl;
std::cout << "AnalVol domainType: " << av->getDomainType() << std::endl;
std::cout << "AnalVol funcType: " << av->getFunctionType() << std::endl;
std::cout << "AnalVol ordinal: " << av->getOrdinal() << std::endl;
const ASTNode* mathNode = av->getMath();
char* mathStr = writeMathMLToString(mathNode);
std::cout << "AnalVol math: " << mathStr << std::endl;
}
if (gd->isSampledFieldGeometry()) {
SampledFieldGeometry* sfGeom = static_cast<SampledFieldGeometry*>(gd);
std::cout << "SampledFieldGeom Id: " << sfGeom->getId() << std::endl;
// sampledField from sfGeom
SampledField* sf = sfGeom->getSampledField();
std::cout << "SampledField Id: " << sf->getId() << std::endl;
std::cout << "SampledField dataType: " << sf->getDataType() << std::endl;
std::cout << "SampledField interpolation: " << sf->getInterpolationType() << std::endl;
std::cout << "SampledField encoding: " << sf->getEncoding() << std::endl;
std::cout << "SampledField numSamples1: " << sf->getNumSamples1() << std::endl;
std::cout << "SampledField numSamples2: " << sf->getNumSamples2() << std::endl;
std::cout << "SampledField numSamples3: " << sf->getNumSamples3() << std::endl;
const ImageData* id = sf->getImageData();
int* samples = new int[id->getSamplesLength()];
id->getSamples(samples);
std::cout << "ImageData samples[0]: " << samples[0] << std::endl;
std::cout << "ImageData dtype: " << id->getDataType() << std::endl;
std::cout << "ImageData samplesLen: " << id->getSamplesLength() << std::endl;
// sampledVolVol from sfGeom.
SampledVolume* sv = sfGeom->getSampledVolume(0);
std::cout << "SampledVol Id: " << sv->getId() << std::endl;
std::cout << "SampledVol domainType: " << sv->getDomainType() << std::endl;
std::cout << "SampledVol sampledVal: " << sv->getSampledValue() << std::endl;
std::cout << "SampledVol min: " << sv->getMinValue() << std::endl;
std::cout << "SampledVol max: " << sv->getMaxValue() << std::endl;
}
}
delete document2;
}
//static
void SBMLUtils::collectIds(Model* pModel, std::map<std::string, const SBase*>& ids, std::map<std::string, const SBase*>& metaIds)
{
if (pModel != NULL)
{
// the model itself
SBase* pSBase = NULL;
std::string id;
if (pModel->isSetId())
{
id = pModel->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pModel->isSetMetaId())
{
id = pModel->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// ListOfFunctionDefinitions
pSBase = pModel->getListOfFunctionDefinitions();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// all FunctionDefinitions
unsigned int i, iMax = pModel->getListOfFunctionDefinitions()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getListOfFunctionDefinitions()->get(i);
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfUnitDefinition
pSBase = pModel->getListOfUnitDefinitions();
if (pSBase != NULL)
{
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// all UnitDefinitions
// for each UnitDefinition: ListOfUnits, each Unit in ListOfUnits
unsigned int i, iMax = pModel->getListOfUnitDefinitions()->size();
for (i = 0; i < iMax; ++i)
{
/* UnitDefinitions have their ids in a different namespace
so we only consider meta ids.
*/
UnitDefinition* pUDef = pModel->getUnitDefinition(i);
assert(pUDef != NULL);
if (pUDef->isSetMetaId())
{
id = pUDef->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pUDef));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
ListOf* pList = pUDef->getListOfUnits();
if (pList != NULL)
{
if (pList->isSetMetaId())
{
id = pList->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pList));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
unsigned j, jMax = pList->size();
for (j = 0; j < jMax; ++j)
{
pSBase = pList->get(j);
assert(pSBase != NULL);
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
}
}
// ListOfCompartmentTypes
pSBase = pModel->getListOfCompartmentTypes();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// each compartment type
unsigned int i, iMax = pModel->getListOfCompartmentTypes()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getCompartmentType(i);
assert(pSBase != NULL);
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfSpeciesTypes
pSBase = pModel->getListOfSpeciesTypes();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// each species type
unsigned int i, iMax = pModel->getListOfSpeciesTypes()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getSpeciesType(i);
assert(pSBase != NULL);
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfCompartments
pSBase = pModel->getListOfCompartments();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// all compartments
unsigned int i, iMax = pModel->getListOfCompartments()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getCompartment(i);
assert(pSBase != NULL);
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfSpecies
pSBase = pModel->getListOfSpecies();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// all species
unsigned int i, iMax = pModel->getListOfSpecies()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getSpecies(i);
assert(pSBase != NULL);
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfParameters
pSBase = pModel->getListOfParameters();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// each parameter
unsigned int i, iMax = pModel->getListOfParameters()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getParameter(i);
assert(pSBase != NULL);
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfInitialAssignments
pSBase = pModel->getListOfInitialAssignments();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// each initial assignment
unsigned int i, iMax = pModel->getListOfInitialAssignments()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getInitialAssignment(i);
assert(pSBase != NULL);
// initial assignments have no ids
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfRules
pSBase = pModel->getListOfRules();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// each rule
unsigned int i, iMax = pModel->getListOfRules()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getRule(i);
assert(pSBase != NULL);
// rules don't have ids
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfConstraints
pSBase = pModel->getListOfConstraints();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// each constraint
unsigned int i, iMax = pModel->getListOfConstraints()->size();
for (i = 0; i < iMax; ++i)
{
pSBase = pModel->getConstraint(i);
assert(pSBase != NULL);
// constraints don't have ids
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
// ListOfReactions
pSBase = pModel->getListOfReactions();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// all reactions
unsigned int i, iMax = pModel->getListOfReactions()->size();
for (i = 0; i < iMax; ++i)
{
Reaction* pReaction = pModel->getReaction(i);
assert(pReaction != NULL);
if (pReaction->isSetId())
{
id = pReaction->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pReaction));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pReaction->isSetMetaId())
{
id = pReaction->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pReaction));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// for each reaction: ListOfSubstrates, each substrate, ListOfProducts, each
// Product, ListOfModifieres, each modifier, KineticLaw, ListOfparameters,
// each parameter
if (pReaction->getListOfReactants() != NULL)
{
pSBase = pReaction->getListOfReactants();
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
unsigned int j, jMax = pReaction->getListOfReactants()->size();
for (j = 0; j < jMax; ++j)
{
pSBase = pReaction->getReactant(j);
assert(pSBase != NULL);
// since L2V2 species references can have ids
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
if (pReaction->getListOfProducts() != NULL)
{
pSBase = pReaction->getListOfProducts();
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
unsigned int j, jMax = pReaction->getListOfProducts()->size();
for (j = 0; j < jMax; ++j)
{
pSBase = pReaction->getProduct(j);
assert(pSBase != NULL);
// since L2V2 species references can have ids
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
if (pReaction->getListOfModifiers() != NULL)
{
pSBase = pReaction->getListOfModifiers();
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
unsigned int j, jMax = pReaction->getListOfModifiers()->size();
for (j = 0; j < jMax; ++j)
{
pSBase = pReaction->getModifier(j);
assert(pSBase != NULL);
// since L2V2 species references can have ids
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
KineticLaw* pKLaw = pReaction->getKineticLaw();
if (pKLaw != NULL)
{
if (pKLaw->isSetMetaId())
{
id = pKLaw->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pKLaw));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
pSBase = pKLaw->getListOfParameters();
if (pSBase != NULL)
{
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
unsigned int j, jMax = pKLaw->getListOfParameters()->size();
for (j = 0; j < jMax; ++j)
{
pSBase = pKLaw->getParameter(j);
assert(pSBase != NULL);
// local parameters have their ids in a
// different namespace
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
}
}
}
// ListOfEvents
pSBase = pModel->getListOfEvents();
if (pSBase != NULL)
{
if (pSBase->isSetId())
{
id = pSBase->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pModel));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// each event
unsigned int i, iMax = pModel->getListOfEvents()->size();
for (i = 0; i < iMax; ++i)
{
Event* pEvent = pModel->getEvent(i);
assert(pEvent != NULL);
if (pEvent->isSetId())
{
id = pEvent->getId();
if (ids.find(id) == ids.end())
{
ids.insert(std::pair<const std::string, const SBase*>(id, pEvent));
}
else
{
CCopasiMessage(CCopasiMessage::EXCEPTION, MCSBML + 68, id.c_str());
}
}
if (pEvent->isSetMetaId())
{
id = pEvent->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pEvent));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
// in each event Trigger,Delay,ListOfEventAssignments, each event assignment
if (pEvent->isSetTrigger())
{
pSBase = pEvent->getTrigger();
assert(pSBase != NULL);
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
if (pEvent->isSetDelay())
{
pSBase = pEvent->getDelay();
assert(pSBase != NULL);
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
if (pEvent->getListOfEventAssignments() != NULL)
{
pSBase = pEvent->getListOfEventAssignments();
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
unsigned int j, jMax = pEvent->getListOfEventAssignments()->size();
for (j = 0; j < jMax; ++j)
{
pSBase = pEvent->getEventAssignment(j);
assert(pSBase != NULL);
if (pSBase->isSetMetaId())
{
id = pSBase->getMetaId();
if (metaIds.find(id) == metaIds.end())
{
metaIds.insert(std::pair<const std::string, const SBase*>(id, pSBase));
}
else
{
CCopasiMessage(CCopasiMessage::WARNING, MCSBML + 67, id.c_str());
}
}
}
}
}
}
}
}
void SbmlReader::createReaction(const map< string, Id > &molSidcmptMIdMap ) {
Reaction* reac;
map< string,double > rctMap;
map< string,double >::iterator rctMap_iter;
map< string,double >prdMap;
map< string,double >::iterator prdMap_iter;
map< string,EnzymeInfo >enzInfoMap;
for ( unsigned int r = 0; r < model_->getNumReactions(); r++ ) {
Id reaction_;
reac = model_->getReaction( r );
noOfsub_ = 0;
noOfprd_ = 0;
std:: string id; //=reac->getId();
if ( reac->isSetId() )
id = reac->getId();
std::string name;
if ( reac->isSetName() ) {
name = reac->getName();
name = nameString(name);
}
if (name.empty()) {
if (id.empty())
assert("Reaction id and name is empty");
else
name = id;
}
string grpname = getAnnotation( reac,enzInfoMap );
if ( (grpname != "") && (enzInfoMap[grpname].stage == 3) ) {
setupEnzymaticReaction( enzInfoMap[grpname],grpname ,molSidcmptMIdMap,name);
}
//if (grpname != "")
// {
//cout << "\n enz matic reaction " << enzInfoMap[grpname].stage;
//setupEnzymaticReaction( enzInfoMap[grpname],grpname ,molSidcmptMIdMap);
//}
else if ( grpname == "" ) {
if (reac->getNumModifiers() > 0)
setupMMEnzymeReaction( reac,id,name ,molSidcmptMIdMap);
else {
bool rev=reac->getReversible();
bool fast=reac->getFast();
if ( fast ) {
cout<<"warning: for now fast attribute is not handled"<<endl;
errorFlag_ = true;
}
int numRcts = reac->getNumReactants();
int numPdts = reac->getNumProducts();
if ( numRcts == 0 && numPdts != 0 ) {
cout << "Reaction with zero Substrate is not possible but exist in this model";
const SpeciesReference* pdt = reac->getProduct( 0 );
std::string spName = pdt->getSpecies();
Id parent = molSidcmptMIdMap.find( spName )->second; //gives compartment of spName
cout << " \n \t ################################# Sub = 0 and prd != 0 need to the reac ############### ";
const SpeciesReference* rect=reac->getReactant(0);
std::string sp=rect->getSpecies();
Id comptRef = molSidcmptMIdMap.find(sp)->second; //gives compartment of sp
Id meshEntry = Neutral::child( comptRef.eref(), "mesh" );
Shell* shell = reinterpret_cast< Shell* >( Id().eref().data() );
reaction_ = shell->doCreate("Reac", meshEntry, name, 1);
//shell->doAddMsg( "Single", meshEntry, "remeshReacs", reaction_, "remesh");
//Get Substrate
addSubPrd(reac,reaction_,"prd");
} //if numRcts == 0
else {
const SpeciesReference* rect=reac->getReactant(0);
std::string sp=rect->getSpecies();
Id comptRef = molSidcmptMIdMap.find(sp)->second; //gives compartment of sp
Id meshEntry = Neutral::child( comptRef.eref(), "mesh" );
Shell* shell = reinterpret_cast< Shell* >( Id().eref().data() );
reaction_ = shell->doCreate("Reac", comptRef, name, 1);
//shell->doAddMsg( "Single", meshEntry, "remeshReacs", reaction_, "remesh");
//Get Substrate
addSubPrd(reac,reaction_,"sub");
//Get Product
addSubPrd(reac,reaction_,"prd");
}
if ( reac->isSetKineticLaw() ) {
KineticLaw * klaw=reac->getKineticLaw();
//vector< double > rate = getKLaw( klaw,rev );
vector< double > rate;
rate.clear();
getKLaw( klaw,rev,rate );
if ( errorFlag_ )
return;
else if ( !errorFlag_ ) {
//cout << " Reaction name " << name << " kf " << rate[0] << " kb " << rate[1]<<endl;
Field < double > :: set( reaction_, "Kf", rate[0] );
Field < double > :: set( reaction_, "Kb", rate[1] );
/*if (numRcts > 1)
rate[0] = rate[0]*pow(1e3,1.0);
cout << "Reaction " << id << " " << name << " " << rate[0] << " " << rate[1]<<endl;
Field < double > :: set( reaction_, "Kf", rate[0] );
Field < double > :: set( reaction_, "Kb", rate[1] );
*/
}
} //issetKineticLaw
} //else
} // else grpname == ""
}//for unsigned
} //reaction
