C++ KineticLaw::setMath方法代码示例

void createKineticLawForReaction(Reaction* reaction)
{
  if (reaction == NULL)
    return;
  reaction->unsetKineticLaw();
  KineticLaw *law = reaction->getKineticLaw();
  if (law == NULL)
  {
    law = reaction->createKineticLaw();
    LocalParameter* fluxValue = law->createLocalParameter();
    fluxValue->initDefaults();
    fluxValue->setId("FLUX_VALUE");
    fluxValue->setValue(0);
    fluxValue->setUnits("dimensionless");
    ASTNode* astn = SBML_parseFormula("FLUX_VALUE");
    law->setMath(astn);
    delete astn;
  }

  LocalParameter* LB = law->getLocalParameter("LOWER_BOUND");
  if (LB == NULL)
  {
    LB = law->createLocalParameter();
    LB->initDefaults();
    LB->setId("LOWER_BOUND");
    LB->setUnits("dimensionless");
    LB->setValue(-std::numeric_limits<double>::infinity());
  }

  LocalParameter* UB = law->getLocalParameter("UPPER_BOUND");
  if (UB == NULL)
  {
    UB = law->createLocalParameter();
    UB->initDefaults();
    UB->setId("UPPER_BOUND");
    UB->setUnits("dimensionless");
    LB->setValue(std::numeric_limits<double>::infinity());
  }

  LocalParameter* param = law->getLocalParameter("OBJECTIVE_COEFFICIENT");
  if (param == NULL)
  {
    param = law->createLocalParameter();
    param->initDefaults();
    param->setId("OBJECTIVE_COEFFICIENT");
    param->setUnits("dimensionless");
    param->setValue(0);
  }

}

END_TEST

START_TEST ( test_KineticLaw )
{
  KineticLaw* kl = new KineticLaw(2, 4);
   
  fail_unless (!(kl->hasRequiredElements()));

  kl->setMath(SBML_parseFormula("kl"));

  fail_unless (kl->hasRequiredElements());

  delete kl;
}

void 
convertPow(SBMLDocument* doc, 
           bool shouldChangePow, 
           bool inlineCompartmentSizes)
{

  Model* model = SBMLDocument_getModel(doc);
  if (model == NULL)
  {
    return;
  }

  std::map<string, double> compartmentValueMap;
  if (inlineCompartmentSizes)
  {
    for(unsigned int i = 0; i < model->getNumCompartments(); ++i)
    {
      Compartment* c = model->getCompartment(i);
      compartmentValueMap[c->getId()] = c->getSize();
    }
  }

  for(unsigned int i = 0; i < model->getNumReactions(); ++i)
  {
    Reaction* r  = model->getReaction(i);
    KineticLaw* kl = r->getKineticLaw();
    const char* strKineticFormula;
    if (kl == NULL)
    {
      strKineticFormula = "";
    }
    else
    {
      strKineticFormula = KineticLaw_getFormula(kl);
      if (strKineticFormula == NULL)
      {
        continue;
      }
    }

    ASTNode* ast_Node	= SBML_parseFormula (strKineticFormula);
    if (ast_Node != NULL)
    {
      changePow(ast_Node, compartmentValueMap, shouldChangePow);
      kl->setMath (ast_Node);
    }
    delete ast_Node;
  }
}

//.........这里部分代码省略.........
  ASTNode* astMath = new ASTNode(AST_TIMES);

  astMath->addChild(new ASTNode(AST_DIVIDE));
  ASTNode* astDivide = astMath->getLeftChild();

  astDivide->addChild(new ASTNode(AST_TIMES));
  ASTNode* astTimes = astDivide->getLeftChild();

  astTimes->addChild(new ASTNode(AST_NAME));
  astTimes->getLeftChild()->setName("vm");

  astTimes->addChild(new ASTNode(AST_NAME));
  astTimes->getRightChild()->setName("s1");

  astDivide->addChild(new ASTNode(AST_PLUS));
  ASTNode* astPlus = astDivide->getRightChild();

  astPlus->addChild(new ASTNode(AST_NAME));
  astPlus->getLeftChild()->setName("km");

  astPlus->addChild(new ASTNode(AST_NAME));
  astPlus->getRightChild()->setName("s1");


  astMath->addChild(new ASTNode(AST_NAME));
  astMath->getRightChild()->setName("cell");

  //---------------------------------------------
  //
  // set the Math element
  //
  //------------------------------------------------

  kl->setMath(astMath);
  delete astMath;


  //---------------------------------------------------------------------------
  // (Reaction2) Creates a Reaction object ("v2").
  //---------------------------------------------------------------------------

  reaction = model->createReaction();
  reaction->setId("v2");

  //---------------------------------------------------------------------------
  // Creates Reactant objects inside the Reaction object ("v2"). 
  //---------------------------------------------------------------------------

  // (Reactant2) Creates a Reactant object that references Species "s1"
  // in the model.

  spr = reaction->createReactant();
  spr->setSpecies("s1");

  //---------------------------------------------------------------------------
  // Creates a Product object inside the Reaction object ("v2"). 
  //---------------------------------------------------------------------------

  // Creates a Product object that references Species "s2" in the model. 

  spr = reaction->createProduct();
  spr->setSpecies("s2");

  //---------------------------------------------------------------------------
  // Creates a KineticLaw object inside the Reaction object ("v2"). 
  //---------------------------------------------------------------------------

//.........这里部分代码省略.........
   //
   // create node representing
   //        <apply>
   //          <times/>
   //          <ci> cytosol </ci>
   //          <apply>
   //            <minus/>
   //            <apply>
   //              <times/>
   //              <ci> kon </ci>
   //              <ci> E </ci>
   //              <ci> S </ci>
   //            </apply>
   //            <apply>
   //              <times/>
   //              <ci> koff </ci>
   //              <ci> ES </ci>
   //            </apply>
   //          </apply>
   //        </apply>
   //
   //--------------------------------------------

   ASTNode* astMath = new ASTNode(AST_TIMES);
   astMath->addChild(astCytosol);
   astMath->addChild(astMinus);

   //---------------------------------------------
   //
   // set the Math element
   //
   //------------------------------------------------

   kl->setMath(astMath);

  // KineticLaw::setMath(const ASTNode*) sets the math of the KineticLaw object
  // to a copy of the given ASTNode, and thus basically the caller should delete 
  // the original ASTNode object if the caller has the ownership of the object to 
  // avoid memory leak.

   delete astMath;


  //---------------------------------------------------------------------------
  // Creates local Parameter objects inside the KineticLaw object.
  //---------------------------------------------------------------------------

  // Creates a Parameter ("kon")

  Parameter* para = kl->createParameter();
  para->setId("kon");
  para->setValue(1000000);
  para->setUnits("litre_per_mole_per_second");

  // Creates a Parameter ("koff")

  para = kl->createParameter();
  para->setId("koff");
  para->setValue(0.2);
  para->setUnits("per_second");


  //---------------------------------------------------------------------------
  // (Reaction2) Creates a Reaction object ("vcat") .
  //---------------------------------------------------------------------------
  

/**
 *
 * Creates an SBML model represented in "7.8 Example involving function definitions"
 * in the SBML Level 2 Version 4 Specification.
 *
 */
SBMLDocument* createExampleInvolvingFunctionDefinitions()
{
  const unsigned int level   = Level;
  const unsigned int version = Version;

  //---------------------------------------------------------------------------
  //
  // Creates an SBMLDocument object 
  //
  //---------------------------------------------------------------------------

  SBMLDocument* sbmlDoc = new SBMLDocument(level,version);

  //---------------------------------------------------------------------------
  //
  // Creates a Model object inside the SBMLDocument object. 
  //
  //---------------------------------------------------------------------------

  Model* model = sbmlDoc->createModel();
  model->setId("functionExample");

  //---------------------------------------------------------------------------
  //
  // Creates a FunctionDefinition object inside the Model object. 
  //
  //---------------------------------------------------------------------------

  FunctionDefinition* fdef = model->createFunctionDefinition();
  fdef->setId("f");

  // Sets a math (ASTNode object) to the FunctionDefinition object.

  string mathXMLString = "<math xmlns=\"http://www.w3.org/1998/Math/MathML\">"
                         "  <lambda>"
                         "    <bvar>"
                         "      <ci> x </ci>"
                         "    </bvar>"
                         "    <apply>"
                         "      <times/>"
                         "      <ci> x </ci>"
                         "      <cn> 2 </cn>"
                         "    </apply>"
                         "  </lambda>"
                         "</math>";

  ASTNode* astMath = readMathMLFromString(mathXMLString.c_str());
  fdef->setMath(astMath);
  delete astMath;


  //---------------------------------------------------------------------------
  //
  // Creates a Compartment object inside the Model object. 
  //
  //---------------------------------------------------------------------------

  Compartment* comp;
  const string compName = "compartmentOne";

  // Creates a Compartment object ("compartmentOne")

  comp = model->createCompartment();
  comp->setId(compName);
 
  // Sets the "size" attribute of the Compartment object.
  //
  //   The units of this Compartment object is the default SBML 
  //   units of volume (litre), and thus we don't have to explicitly invoke 
  //   setUnits("litre") function to set the default units.
  //
  comp->setSize(1);


  //---------------------------------------------------------------------------
  //
  // Creates Species objects inside the Model object. 
  //
  //---------------------------------------------------------------------------
  
  Species* sp;

  //---------------------------------------------------------------------------
  // (Species1) Creates a Species object ("S1")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setId("S1");

  // Sets the "compartment" attribute of the Species object to identify the 
  // compartnet in which the Species object located.

  sp->setCompartment(compName);

//.........这里部分代码省略.........

/** @cond doxygenLibsbmlInternal */
int 
Replacing::updateIDs(SBase* oldnames, SBase* newnames)
{
  int ret = LIBSBML_OPERATION_SUCCESS;
  SBMLDocument* doc = getSBMLDocument();
  if (oldnames->isSetId() && !newnames->isSetId()) {
    if (doc) {
      string error = "Unable to transform IDs in Replacing::updateIDs during replacement:  the '" + oldnames->getId() + "' element's replacement does not have an ID set.";
      doc->getErrorLog()->logPackageError("comp", CompMustReplaceIDs, getPackageVersion(), getLevel(), getVersion(), error, getLine(), getColumn());
    }
    return LIBSBML_INVALID_OBJECT;
  }
  if (oldnames->isSetMetaId() && !newnames->isSetMetaId()) {
    if (doc) {
      string error = "Unable to transform IDs in Replacing::updateIDs during replacement:  the replacement of the element with metaid '" + oldnames->getMetaId() + "' does not have a metaid.";
      doc->getErrorLog()->logPackageError("comp", CompMustReplaceMetaIDs, getPackageVersion(), getLevel(), getVersion(), error, getLine(), getColumn());
    }
    return LIBSBML_INVALID_OBJECT;
  }
  //LS DEBUG Somehow we need to check identifiers from other packages here (like spatial id's).  How, exactly, is anyone's guess.
  Model* replacedmod = const_cast<Model*>(CompBase::getParentModel(oldnames));
  KineticLaw* replacedkl;
  ASTNode newkl;
  if (replacedmod==NULL) {
    if (doc) {
      string error = "Unable to transform IDs in Replacing::updateIDs during replacement:  the replacement of '" + oldnames->getId() + "' does not have a valid model.";
      doc->getErrorLog()->logPackageError("comp", CompModelFlatteningFailed, getPackageVersion(), getLevel(), getVersion(), error, getLine(), getColumn());
    }
    return LIBSBML_INVALID_OBJECT;
  }
  List* allElements = replacedmod->getAllElements();
  string oldid = oldnames->getId();
  string newid = newnames->getId();
  if (!oldid.empty()) {
    switch(oldnames->getTypeCode()) {
    case SBML_UNIT_DEFINITION:
      replacedmod->renameUnitSIdRefs(oldid, newid);
      for (unsigned int e=0; e<allElements->getSize(); e++) {
        SBase* element = static_cast<SBase*>(allElements->get(e));
        element->renameUnitSIdRefs(oldid, newid);
      }
      break;
    case SBML_LOCAL_PARAMETER:
      replacedkl = static_cast<KineticLaw*>(oldnames->getAncestorOfType(SBML_KINETIC_LAW));
      if (replacedkl->isSetMath()) {
        newkl = *replacedkl->getMath();
        newkl.renameSIdRefs(oldid, newid);
        replacedkl->setMath(&newkl);
      }
      break;
    case SBML_COMP_PORT:
      break;
      //LS DEBUG And here is where we would need some sort of way to check if the id wasn't an SId for some objects.
    default:
      replacedmod->renameSIdRefs(oldnames->getId(), newnames->getId());
      for (unsigned int e=0; e<allElements->getSize(); e++) {
        SBase* element = static_cast<SBase*>(allElements->get(e));
        element->renameSIdRefs(oldid, newid);
      }
    }
  }
  string oldmetaid = oldnames->getMetaId();
  string newmetaid = newnames->getMetaId();
  if (oldnames->isSetMetaId()) {
    replacedmod->renameMetaIdRefs(oldmetaid, newmetaid);
    for (unsigned int e=0; e<allElements->getSize(); e++) {
      SBase* element = static_cast<SBase*>(allElements->get(e));
      element->renameMetaIdRefs(oldmetaid, newmetaid);
    }
  }
  //LS DEBUG And here is where we would need some sort of way to check for ids that were not 'id' or 'metaid'.
  delete allElements;
  return ret;
}

int Submodel::convertTimeAndExtentWith(const ASTNode* tcf, const ASTNode* xcf, const ASTNode* klmod)
{
  if (tcf==NULL && xcf==NULL) return LIBSBML_OPERATION_SUCCESS;
  Model* model = getInstantiation();
  if (model==NULL) {
    //getInstantiation sets its own error messages.
    return LIBSBML_OPERATION_FAILED;
  }
  ASTNode tcftimes(AST_TIMES);
  ASTNode tcfdiv(AST_DIVIDE);
  if (tcf != NULL) {
    tcftimes.addChild(tcf->deepCopy());
    tcfdiv.addChild(tcf->deepCopy());
  }
  ASTNode rxndivide(AST_DIVIDE);
  if (klmod != NULL) {
    ASTNode rxnref(AST_NAME);
    rxndivide.addChild(rxnref.deepCopy());
    rxndivide.addChild(klmod->deepCopy());
  }
  List* allElements = model->getAllElements();
  for (ListIterator iter = allElements->begin(); iter != allElements->end(); ++iter)
  {
    SBase* element = static_cast<SBase*>(*iter);
    assert(element != NULL);
    ASTNode* ast1 = NULL;
    ASTNode* ast2 = NULL;
    Constraint* constraint = NULL;
    Delay* delay = NULL;
    EventAssignment* ea = NULL;
    InitialAssignment* ia = NULL;
    KineticLaw* kl = NULL;
    Priority* priority = NULL;
    RateRule* rrule = NULL;
    Rule* rule = NULL;
    Submodel* submodel = NULL;
    Trigger* trigger = NULL;
    string cf = "";
    //Reaction math will be converted below, in the bits with the kinetic law.  But because of that, we need to handle references *to* the reaction:  even if it has no kinetic law, the units have changed, and this needs to be reflected by the flattening routine.
    if (rxndivide.getNumChildren() != 0 && element->getTypeCode()==SBML_REACTION && element->isSetId()) {
      rxndivide.getChild(0)->setName(element->getId().c_str());
      for (ListIterator iter = allElements->begin(); iter != allElements->end(); ++iter)
      {
        SBase* subelement = static_cast<SBase*>(*iter);
        subelement->replaceSIDWithFunction(element->getId(), &rxndivide);
      }
    }

    //Submodels need their timeConversionFactor and extentConversionFactor attributes converted.  We're moving top-down, so all we need to do here is fix the conversion factor attributes themselves, pointing them to new parameters if need be.
    if ((tcf !=NULL || xcf != NULL) && element->getTypeCode()==SBML_COMP_SUBMODEL) {
      submodel = static_cast<Submodel*>(element);
      if (tcf != NULL) {
        if (submodel->isSetTimeConversionFactor()) {
          createNewConversionFactor(cf, tcf, submodel->getTimeConversionFactor(), model);
          submodel->setTimeConversionFactor(cf);
        }
        else {
          submodel->setTimeConversionFactor(tcf->getName());
        }
      }
      if (xcf != NULL) {
        if (submodel->isSetExtentConversionFactor()) {
          createNewConversionFactor(cf, xcf, submodel->getExtentConversionFactor(), model);
          submodel->setExtentConversionFactor(cf);
        }
        else {
          submodel->setExtentConversionFactor(xcf->getName());
        }
      }
    }
    if (tcf==NULL) {
      if (klmod !=NULL && element->getTypeCode()==SBML_KINETIC_LAW) {
        kl = static_cast<KineticLaw*>(element);
        if (kl->isSetMath()) {
          ast1 = new ASTNode(AST_TIMES);
          ast1->addChild(klmod->deepCopy());
          ast1->addChild(kl->getMath()->deepCopy());
          kl->setMath(ast1);
          delete ast1;
        }
      }
    }
    else {
      // All math 'time' and 'delay' csymbols must still be converted.
      // Also, several constructs are modified directly.
      switch(element->getTypeCode()) {
        //This would be a WHOLE LOT SIMPLER if there was a 'hasMath' class in libsbml.  But even so, it would have to
        // handle the kinetic laws, rate rules, and delays separately.
      case SBML_KINETIC_LAW:
        //Kinetic laws are multiplied by 'klmod'.
        kl = static_cast<KineticLaw*>(element);
        ast1 = kl->getMath()->deepCopy();
        convertCSymbols(ast1, &tcfdiv, &tcftimes);
        if (klmod !=NULL) {
          kl = static_cast<KineticLaw*>(element);
          if (kl->isSetMath()) {
            ast2 = new ASTNode(AST_TIMES);
            ast2->addChild(klmod->deepCopy());
            ast2->addChild(ast1);
            kl->setMath(ast2);
//.........这里部分代码省略.........

void Module::CreateSBMLModel()
{
  Model* sbmlmod = m_sbml.createModel();
  sbmlmod->setId(m_modulename);
  sbmlmod->setName(m_modulename);
  sbmlmod->setNotes("<body xmlns=\"http://www.w3.org/1999/xhtml\"><p> Originally created by libAntimony " VERSION_STRING " (using libSBML " LIBSBML_DOTTED_VERSION ") </p></body>");
  char cc = g_registry.GetCC();
  //User-defined functions
  for (size_t uf=0; uf<g_registry.GetNumUserFunctions(); uf++) {
    const UserFunction* userfunction = g_registry.GetNthUserFunction(uf);
    assert(userfunction != NULL);
    FunctionDefinition* fd = sbmlmod->createFunctionDefinition();
    fd->setId(userfunction->GetModuleName());
    ASTNode* math = parseStringToASTNode(userfunction->ToSBMLString());
    fd->setMath(math);
    delete math;
  }
  //Compartments
  Compartment* defaultCompartment = sbmlmod->createCompartment();
  defaultCompartment->setId(DEFAULTCOMP);
  defaultCompartment->setConstant(true);
  defaultCompartment->setSize(1);
  defaultCompartment->setSBOTerm(410); //The 'implicit compartment'
  size_t numcomps = GetNumVariablesOfType(allCompartments);
  for (size_t comp=0; comp<numcomps; comp++) {
    const Variable* compartment = GetNthVariableOfType(allCompartments, comp);
    Compartment* sbmlcomp = sbmlmod->createCompartment();
    sbmlcomp->setId(compartment->GetNameDelimitedBy(cc));
    if (compartment->GetDisplayName() != "") {
      sbmlcomp->setName(compartment->GetDisplayName());
    }
    sbmlcomp->setConstant(compartment->GetIsConst());
    formula_type ftype = compartment->GetFormulaType();
    assert (ftype == formulaINITIAL || ftype==formulaASSIGNMENT || ftype==formulaRATE);
    if (ftype != formulaINITIAL) {
      sbmlcomp->setConstant(false);
    }
    const Formula* formula = compartment->GetFormula();
    if (formula->IsDouble()) {
      sbmlcomp->setSize(atof(formula->ToSBMLString().c_str()));
    }
    SetAssignmentFor(sbmlmod, compartment);
  }

  //Species
  size_t numspecies = GetNumVariablesOfType(allSpecies);
  for (size_t spec=0; spec < numspecies; spec++) {
    const Variable* species = GetNthVariableOfType(allSpecies, spec);
    Species* sbmlspecies = sbmlmod->createSpecies();
    sbmlspecies->setId(species->GetNameDelimitedBy(cc));
    if (species->GetDisplayName() != "") {
      sbmlspecies->setName(species->GetDisplayName());
    }
    sbmlspecies->setConstant(false); //There's no need to try to distinguish between const and var for species.
    if (species->GetIsConst()) {
      sbmlspecies->setBoundaryCondition(true);
    }
    else {
      sbmlspecies->setBoundaryCondition(false);
    }
    const Variable* compartment = species->GetCompartment();
    if (compartment == NULL) {
      sbmlspecies->setCompartment(defaultCompartment->getId());
    }
    else {
      sbmlspecies->setCompartment(compartment->GetNameDelimitedBy(cc));
    }
    const Formula* formula = species->GetFormula();
    if (formula->IsDouble()) {
      sbmlspecies->setInitialConcentration(atof(formula->ToSBMLString().c_str()));
    }
    else if (formula->IsAmountIn(species->GetCompartment())) {
      sbmlspecies->setInitialAmount(formula->ToAmount());
    }
    SetAssignmentFor(sbmlmod, species);
  }

  //Formulas
  size_t numforms = GetNumVariablesOfType(allFormulas);
  for (size_t form=0; form < numforms; form++) {
    const Variable* formvar = GetNthVariableOfType(allFormulas, form);
    const Formula*  formula = formvar->GetFormula();
    Parameter* param = sbmlmod->createParameter();
    param->setId(formvar->GetNameDelimitedBy(cc));
    if (formvar->GetDisplayName() != "") {
      param->setName(formvar->GetDisplayName());
    }
    param->setConstant(formvar->GetIsConst());
    if (formula->IsDouble()) {
      param->setValue(atof(formula->ToSBMLString().c_str()));
    }
    SetAssignmentFor(sbmlmod, formvar);
    formula_type ftype = formvar->GetFormulaType();
    assert (ftype == formulaINITIAL || ftype==formulaASSIGNMENT || ftype==formulaRATE);
    if (ftype != formulaINITIAL) {
      param->setConstant(false);
    }
  }

  //Reactions
//.........这里部分代码省略.........