// #######################################################################
SpeciesReference* SBML_formatter::species2SpeciesReference(const Species* species, const Reaction* rxn, string addToSpeciesID){
  string value = species->getId(); 
  
  SpeciesReference* SR = new SpeciesReference(species->getLevel(), species->getVersion());
  
  value = species->getId();

  if (addToSpeciesID != ""){
    // sets the species name, as 
    value.append(addToSpeciesID);
  }
  
  SR->setSpecies(value);
  
  SR->setStoichiometry(1);
  SR->setId((value.append("_ref_")).append(dtostr(unique)));
  value.clear();
  value.append(species->getId());
  SR->setName((value.append("_in_rxn_")).append(rxn->getId()));
  // unique is a static variable which allows anything that needs a modelwide unique value to get
  // one;
  unique++;

  return SR;
}
END_TEST

START_TEST ( test_SpeciesReference )
{
  SpeciesReference* sr = new SpeciesReference(2, 4);
  
  fail_unless (!(sr->hasRequiredAttributes()));

  sr->setSpecies("sr");

  fail_unless (sr->hasRequiredAttributes());

  delete sr;
}
예제 #3
0
END_TEST


START_TEST (test_WriteL3SBML_SpeciesReference)
{
  const char* expected = "<speciesReference species=\"s\""
    " stoichiometry=\"3\" constant=\"true\"/>";


  SpeciesReference *sr = D->createModel()->createReaction()->createReactant();
  sr->setSpecies("s");
  sr->setStoichiometry(3);
  sr->setConstant(true);

  char* sbml = sr->toSBML();
  fail_unless( equals(expected, sbml) );
  safe_free(sbml);
}
END_TEST


START_TEST ( test_SpeciesReference_Reactant_parent_add )
{
    SpeciesReference *sr = new SpeciesReference(2, 4);
    Reaction *r = new Reaction(2, 4);

    sr->setSpecies("s");
    r->addReactant(sr);

    delete sr;

    ListOf *lo = r->getListOfReactants();

    fail_unless(lo == r->getReactant(0)->getParentSBMLObject());
    fail_unless(r == lo->getParentSBMLObject());
}
/**
 *
 * Creates an SBML model represented in "7.2 Example involving units"
 * in the SBML Level 2 Version 4 Specification.
 *
 */
SBMLDocument* createExampleInvolvingUnits()
{
  const unsigned int level   = Level;
  const unsigned int version = Version;

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

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

  // Adds the namespace for XHTML to the SBMLDocument object.  We need this
  // because we will add notes to the model.  (By default, the SBML document
  // created by SBMLDocument only declares the SBML XML namespace.)

  sbmlDoc->getNamespaces()->add("http://www.w3.org/1999/xhtml", "xhtml");

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

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

  //---------------------------------------------------------------------------
  //
  // Creates UnitDefinition objects inside the Model object.
  //
  //---------------------------------------------------------------------------

  // Temporary pointers (reused more than once below).

  UnitDefinition* unitdef;
  Unit *unit;

  //---------------------------------------------------------------------------  
  // (UnitDefinition1) Creates an UnitDefinition object ("substance").
  //
  // This has the effect of redefining the default unit of subtance for the
  // whole model.
  //---------------------------------------------------------------------------

  unitdef = model->createUnitDefinition();
  unitdef->setId("substance");

  //  Creates an Unit inside the UnitDefinition object 

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_MOLE);
  unit->setScale(-3);

  //--------------------------------------------------------------------------------
  // (UnitDefinition2) Creates an UnitDefinition object ("mmls") 
  //--------------------------------------------------------------------------------
    
  // Note that we can reuse the pointers 'unitdef' and 'unit' because the
  // actual UnitDefinition object (along with the Unit objects within it)
  // is already attached to the Model object.

  unitdef = model->createUnitDefinition();
  unitdef->setId("mmls");
    
  //  Creates an Unit inside the UnitDefinition object ("mmls")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_MOLE);
  unit->setScale(-3);

  //  Creates an Unit inside the UnitDefinition object ("mmls")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_LITRE);
  unit->setExponent(-1);

  //  Creates an Unit inside the UnitDefinition object ("mmls")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_SECOND);
  unit->setExponent(-1);

  //--------------------------------------------------------------------------------
  // (UnitDefinition3) Creates an UnitDefinition object ("mml") 
  //--------------------------------------------------------------------------------
    
  unitdef = model->createUnitDefinition();
  unitdef->setId("mml");
    
  //  Creates an Unit inside the UnitDefinition object ("mml")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_MOLE);
  unit->setScale(-3);

  //  Creates an Unit inside the UnitDefinition object ("mml")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_LITRE);
  unit->setExponent(-1);


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

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

  // Creates a Compartment object ("cell")

  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. 
  //
  //---------------------------------------------------------------------------
  
  // Temporary pointer (reused more than once below).
  
  Species *sp;

  //---------------------------------------------------------------------------
  // (Species1) Creates a Species object ("x0")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setId("x0");

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

  sp->setCompartment(compName);

  // Sets the "initialConcentration" attribute of the Species object.
  //
  //  The units of this Species object is determined by two attributes of this 
  //  Species object ("substanceUnits" and "hasOnlySubstanceUnits") and the
  //  "spatialDimensions" attribute of the Compartment object ("cytosol") in which 
  //  this species object is located.
  //  Since the default values are used for "substanceUnits" (substance (mole)) 
  //  and "hasOnlySubstanceUnits" (false) and the value of "spatialDimension" (3) 
  //  is greater than 0, the units of this Species object is  moles/liters . 
  //
  sp->setInitialConcentration(1);

  //---------------------------------------------------------------------------
  // (Species2) Creates a Species object ("x1")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setId("x1");
  sp->setCompartment(compName);
  sp->setInitialConcentration(1);

  //---------------------------------------------------------------------------
  // (Species3) Creates a Species object ("s1")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setCompartment(compName);
  sp->setId("s1");
  sp->setInitialConcentration(1);

  //---------------------------------------------------------------------------
  // (Species4) Creates a Species object ("s2")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setCompartment(compName);
  sp->setId("s2");
  sp->setInitialConcentration(1);

  //---------------------------------------------------------------------------
  //
  // Creates global Parameter objects inside the Model object. 
  //
  //---------------------------------------------------------------------------

  Parameter* para;

  // Creates a Parameter ("vm")  

  para = model->createParameter();
  para->setId("vm");
  para->setValue(2);
  para->setUnits("mmls");

  // Creates a Parameter ("km")  

  para = model->createParameter();
  para->setId("km");
  para->setValue(2);
  para->setUnits("mml");


  //---------------------------------------------------------------------------
  //
  // Creates Reaction objects inside the Model object. 
  //
  //---------------------------------------------------------------------------
  
  // Temporary pointers.

  Reaction* reaction;
  SpeciesReference* spr;
  KineticLaw* kl;

  //---------------------------------------------------------------------------
  // (Reaction1) Creates a Reaction object ("v1").
  //---------------------------------------------------------------------------

  reaction = model->createReaction();
  reaction->setId("v1");

  //---------------------------------------------------------------------------
  // Creates Reactant objects inside the Reaction object ("v1"). 
  //---------------------------------------------------------------------------

  // (Reactant1) Creates a Reactant object that references Species "x0"
  // in the model.

  spr = reaction->createReactant();
  spr->setSpecies("x0");

  //---------------------------------------------------------------------------
  // Creates a Product object inside the Reaction object ("v1"). 
  //---------------------------------------------------------------------------

  // Creates a Product object that references Species "s1" in the model. 

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

  //---------------------------------------------------------------------------
  // Creates a KineticLaw object inside the Reaction object ("v1"). 
  //---------------------------------------------------------------------------
  
  kl = reaction->createKineticLaw();

  // Creates a <notes> element in the KineticLaw object.
  // Here we illustrate how to do it using a literal string.  This requires
  // known the required syntax of XHTML and the requirements for SBML <notes>
  // elements.  Later below, we show how to create notes using objects instead
  // of strings.

  string notesString = "<xhtml:p> ((vm * s1)/(km + s1)) * cell </xhtml:p>";
  kl->setNotes(notesString);

  //---------------------------------------------------------------------------
  // Creates an ASTNode object which represents the following KineticLaw object.
  //
  //  <math xmlns=\"http://www.w3.org/1998/Math/MathML\">
  //   <apply>
  //     <times/>
  //     <apply>
  //       <divide/>
  //       <apply>
  //         <times/>
  //           <ci> vm </ci>
  //           <ci> s1 </ci>
  //       </apply>
  //       <apply>
  //         <plus/>
  //           <ci> km </ci>
  //           <ci> s1 </ci>
  //       </apply>
  //     </apply>
  //     <ci> cell </ci>
  //    </apply>
  //  </math>
  //---------------------------------------------------------------------------

  //
  // In the following code, ASTNode objects, which construct an ASTNode tree 
  // of the above math, are created and added in the order of preorder traversal 
  // of the tree (i.e. the order corresponds to the nested structure of the above 
  // MathML elements), and thus the following code maybe a bit more efficient but 
  // maybe a bit difficult to read.
  //

  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"). 
  //---------------------------------------------------------------------------
  
  kl = reaction->createKineticLaw();

  // Sets a notes (by XMLNode) to the KineticLaw object.
  //
  // The following code is an alternative to using setNotes(const string&).
  // The equivalent code would be like this:
  //   
  //     notesString = "<xhtml:p>((vm * s2)/(km + s2))*cell</xhtml:p>";
  //     kl->setNotes(notesString);

  // Creates an XMLNode of start element (<xhtml:p>) without attributes.

  XMLNode notesXMLNode(XMLTriple("p", "", "xhtml"), XMLAttributes());

  // Adds a text element to the start element.

  notesXMLNode.addChild(XMLNode(" ((vm * s2)/(km + s2)) * cell ")); 

  // Adds it to the kineticLaw object.

  kl->setNotes(&notesXMLNode);

  //---------------------------------------------------------------------------
  // Sets a math (ASTNode object) to the KineticLaw object.
  //---------------------------------------------------------------------------

  // To create mathematical expressions, one would typically construct
  // an ASTNode tree as the above example code which creates a math of another
  // KineticLaw object.  Here, to save some space and illustrate another approach 
  // of doing it, we will write out the formula in MathML form and then use a 
  // libSBML convenience function to create the ASTNode tree for us.  
  // (This is a bit dangerous; it's very easy to make mistakes when writing MathML 
  // by hand, so in a real program, we would not really want to do it this way.)

  string mathXMLString = "<math xmlns=\"http://www.w3.org/1998/Math/MathML\">"
                         "  <apply>"
                         "    <times/>"
                         "    <apply>"
                         "      <divide/>"
                         "      <apply>"
                         "        <times/>"
                         "        <ci> vm </ci>"
                         "        <ci> s2 </ci>"
                         "      </apply>"
                         "      <apply>"
                         "        <plus/>"
                         "          <ci> km </ci>"
                         "          <ci> s2 </ci>"
                         "      </apply>"
                         "    </apply>"
                         "    <ci> cell </ci>"
                         "  </apply>"
                         "</math>";

  astMath = readMathMLFromString(mathXMLString.c_str());
  kl->setMath(astMath);
  delete astMath;


  //---------------------------------------------------------------------------
  // (Reaction3) Creates a Reaction object ("v3").
  //---------------------------------------------------------------------------

  reaction = model->createReaction();
  reaction->setId("v3");

  //---------------------------------------------------------------------------
  // Creates Reactant objects inside the Reaction object ("v3"). 
  //---------------------------------------------------------------------------

  // (Reactant2) Creates a Reactant object that references Species "s2"
  // in the model.

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

  //---------------------------------------------------------------------------
  // Creates a Product object inside the Reaction object ("v3"). 
  //---------------------------------------------------------------------------

  // Creates a Product object that references Species "x1" in the model. 

  spr = reaction->createProduct();
  spr->setSpecies("x1");


  //---------------------------------------------------------------------------
  // Creates a KineticLaw object inside the Reaction object ("v3"). 
  //---------------------------------------------------------------------------
  
  kl = reaction->createKineticLaw();

  // Sets a notes (by string) to the KineticLaw object.

  notesString = "<xhtml:p> ((vm * x1)/(km + x1)) * cell </xhtml:p>";
  kl->setNotes(notesString);

  //---------------------------------------------------------------------------
  // Sets a math (ASTNode object) to the KineticLaw object.
  //---------------------------------------------------------------------------

  mathXMLString = "<math xmlns=\"http://www.w3.org/1998/Math/MathML\">"
                  "  <apply>"
                  "    <times/>"
                  "    <apply>"
                  "      <divide/>"
                  "      <apply>"
                  "        <times/>"
                  "        <ci> vm </ci>"
                  "        <ci> x1 </ci>"
                  "      </apply>"
                  "      <apply>"
                  "        <plus/>"
                  "          <ci> km </ci>"
                  "          <ci> x1 </ci>"
                  "      </apply>"
                  "    </apply>"
                  "    <ci> cell </ci>"
                  "  </apply>"
                  "</math>";

  astMath = readMathMLFromString(mathXMLString.c_str());
  kl->setMath(astMath);
  delete astMath;


  // Returns the created SBMLDocument object.
  // The returned object must be explicitly deleted by the caller,
  // otherwise memory leak will happen.

  return sbmlDoc;

}
/**
 *
 * Creates an SBML model represented in "7.1 A Simple example application of SBML"
 * in the SBML Level 2 Version 4 Specification.
 *
 */
SBMLDocument* createExampleEnzymaticReaction()
{
  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("EnzymaticReaction");

  //---------------------------------------------------------------------------
  //
  // Creates UnitDefinition objects inside the Model object.
  //
  //---------------------------------------------------------------------------

  // Temporary pointers (reused more than once below).

  UnitDefinition* unitdef;
  Unit* unit;

  //---------------------------------------------------------------------------  
  // (UnitDefinition1) Creates an UnitDefinition object ("per_second")
  //---------------------------------------------------------------------------

  unitdef = model->createUnitDefinition();
  unitdef->setId("per_second");

  //  Creates an Unit inside the UnitDefinition object 

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_SECOND);
  unit->setExponent(-1);

  //--------------------------------------------------------------------------------
  // (UnitDefinition2) Creates an UnitDefinition object ("litre_per_mole_per_second") 
  //--------------------------------------------------------------------------------
    
  // Note that we can reuse the pointers 'unitdef' and 'unit' because the
  // actual UnitDefinition object (along with the Unit objects within it)
  // is already attached to the Model object.

  unitdef = model->createUnitDefinition();
  unitdef->setId("litre_per_mole_per_second");
    
  //  Creates an Unit inside the UnitDefinition object ("litre_per_mole_per_second")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_MOLE);
  unit->setExponent(-1);

  //  Creates an Unit inside the UnitDefinition object ("litre_per_mole_per_second")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_LITRE);
  unit->setExponent(1);

  //  Creates an Unit inside the UnitDefinition object ("litre_per_mole_per_second")

  unit = unitdef->createUnit();
  unit->setKind(UNIT_KIND_SECOND);
  unit->setExponent(-1);


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

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

  // Creates a Compartment object ("cytosol")

  comp = model->createCompartment();
  comp->setId(compName);
 
  // Sets the "size" attribute of the Compartment object.
  //
  // We are not setting the units on the compartment size explicitly, so
  // the units of this Compartment object will be the default SBML units of
  // volume, which are liters.
  //
  comp->setSize(1e-14);


  //---------------------------------------------------------------------------
  //
  // Creates Species objects inside the Model object. 
  //
  //---------------------------------------------------------------------------
  
  // Temporary pointer (reused more than once below).
  
  Species *sp;

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

  // Create the Species objects inside the Model object. 

  sp = model->createSpecies();
  sp->setId("ES");
  sp->setName("ES");

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

  sp->setCompartment(compName);

  // Sets the "initialAmount" attribute of the Species object.
  //
  //  In SBML, the units of a Species object's initial quantity are
  //  determined by two attributes, "substanceUnits" and
  //  "hasOnlySubstanceUnits", and the "spatialDimensions" attribute
  //  of the Compartment object ("cytosol") in which the species
  //  object is located.  Here, we are using the default values for
  //  "substanceUnits" (which is "mole") and "hasOnlySubstanceUnits"
  //  (which is "false").  The compartment in which the species is
  //  located uses volume units of liters, so the units of these
  //  species (when the species appear in numerical formulas in the
  //  model) will be moles/liters.  
  //
  sp->setInitialAmount(0);

  //---------------------------------------------------------------------------
  // (Species2) Creates a Species object ("P")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setCompartment(compName);
  sp->setId("P");
  sp->setName("P");
  sp->setInitialAmount(0);

  //---------------------------------------------------------------------------
  // (Species3) Creates a Species object ("S")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setCompartment(compName);
  sp->setId("S");
  sp->setName("S");
  sp->setInitialAmount(1e-20);

  //---------------------------------------------------------------------------
  // (Species4) Creates a Species object ("E")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setCompartment(compName);
  sp->setId("E");
  sp->setName("E");
  sp->setInitialAmount(5e-21);

  
  //---------------------------------------------------------------------------
  //
  // Creates Reaction objects inside the Model object. 
  //
  //---------------------------------------------------------------------------
  
  // Temporary pointers.

  Reaction* reaction;
  SpeciesReference* spr;
  KineticLaw* kl;

  //---------------------------------------------------------------------------
  // (Reaction1) Creates a Reaction object ("veq").
  //---------------------------------------------------------------------------

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

  // (Reactant1) Creates a Reactant object that references Species "E"
  // in the model.  The object will be created within the reaction in the
  // SBML <listOfReactants>.

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

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

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

  //---------------------------------------------------------------------------
  // (Product1) Creates a Product object that references Species "ES" in
  // the model.
  //---------------------------------------------------------------------------

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

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

  kl = reaction->createKineticLaw();

 //---------------------------------------------------------------------------
   // Creates an ASTNode object which represents the following math of the
   // KineticLaw.
   //
   //      <math xmlns="http://www.w3.org/1998/Math/MathML">
   //        <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>
   //      </math>
   //
 //---------------------------------------------------------------------------

   //------------------------------------------
   //
   // create nodes representing the variables
   //
   //------------------------------------------

   ASTNode* astCytosol = new ASTNode(AST_NAME);
   astCytosol->setName("cytosol");

   ASTNode* astKon = new ASTNode(AST_NAME);
   astKon->setName("kon");

   ASTNode* astKoff = new ASTNode(AST_NAME);
   astKoff->setName("koff");

   ASTNode* astE = new ASTNode(AST_NAME);
   astE->setName("E");

   ASTNode* astS = new ASTNode(AST_NAME);
   astS->setName("S");

   ASTNode* astES = new ASTNode(AST_NAME);
   astES->setName("ES");


   //--------------------------------------------
   //
   // create node representing
   //            <apply>
   //              <times/>
   //              <ci> koff </ci>
   //              <ci> ES </ci>
   //            </apply>
   //
   //--------------------------------------------

   ASTNode *astTimes1 = new ASTNode(AST_TIMES);
   astTimes1->addChild(astKoff);
   astTimes1->addChild(astES);

   //--------------------------------------------
   //
   // create node representing
   //            <apply>
   //              <times/>
   //              <ci> kon </ci>
   //              <ci> E </ci>
   //              <ci> S </ci>
   //            </apply>
   //
   //
   // (NOTES)
   //
   //  Since there is a restriction with an ASTNode of "<times/>" operation
   //  such that the ASTNode is a binary class and thus only two operands can
   //  be directly added, the following code in this comment block is invalid
   //  because the code directly adds three <ci> ASTNodes to <times/> ASTNode.
   //
   //    ASTNode *astTimes = new ASTNode(AST_TIMES);
   //    astTimes->addChild(astKon);
   //    astTimes->addChild(astE);
   //    astTimes->addChild(astS);
   //
   // The following valid code after this comment block creates the ASTNode
   // as a binary tree.
   //
   // Please see "Converting between ASTs and text strings" described
   // at http://sbml.org/Software/libSBML/docs/cpp-api/class_a_s_t_node.html
   // for the detailed information.
   //
   //--------------------------------------------

   ASTNode *astTimes2 = new ASTNode(AST_TIMES);
   astTimes2->addChild(astE);
   astTimes2->addChild(astS);

   ASTNode *astTimes = new ASTNode(AST_TIMES);
   astTimes->addChild(astKon);
   astTimes->addChild(astTimes2);

   //--------------------------------------------
   //
   // create node representing
   //          <apply>
   //            <minus/>
   //            <apply>
   //              <times/>
   //              <ci> kon </ci>
   //              <ci> E </ci>
   //              <ci> S </ci>
   //            </apply>
   //            <apply>
   //              <times/>
   //              <ci> koff </ci>
   //              <ci> ES </ci>
   //            </apply>
   //          </apply>
   //
   //--------------------------------------------

   ASTNode *astMinus = new ASTNode(AST_MINUS);
   astMinus->addChild(astTimes);
   astMinus->addChild(astTimes1);


   //--------------------------------------------
   //
   // 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") .
  //---------------------------------------------------------------------------
  
  reaction = model->createReaction();
  reaction->setId("vcat");
  reaction->setReversible(false);

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

  // (Reactant1) Creates a Reactant object that references Species "ES" in the
  // model.

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

  //---------------------------------------------------------------------------
  // Creates a Product object inside the Reaction object ("vcat"). 
  //---------------------------------------------------------------------------
  
  // (Product1) Creates a Product object that references Species "E" in the model.

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

  // (Product2) Creates a Product object that references Species "P" in the model.

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

  //---------------------------------------------------------------------------
  // Creates a KineticLaw object inside the Reaction object ("vcat"). 
  //---------------------------------------------------------------------------
  
  kl = reaction->createKineticLaw();

  //---------------------------------------------------------------------------
  // Sets a math (ASTNode object) to the KineticLaw object.
  //---------------------------------------------------------------------------

  // To create mathematical expressions, one would typically construct
  // an ASTNode tree as the above example code which creates a math of another
  // KineticLaw object.  Here, to save some space and illustrate another approach 
  // of doing it, we will write out the formula in MathML form and then use a 
  // libSBML convenience function to create the ASTNode tree for us.  
  // (This is a bit dangerous; it's very easy to make mistakes when writing MathML 
  // by hand, so in a real program, we would not really want to do it this way.)

  string mathXMLString = "<math xmlns=\"http://www.w3.org/1998/Math/MathML\">"
                         "  <apply>"
                         "    <times/>"
                         "    <ci> cytosol </ci>"
                         "    <ci> kcat </ci>"
                         "    <ci> ES </ci>"
                         "  </apply>"
                         "</math>";

  astMath = readMathMLFromString(mathXMLString.c_str());
  kl->setMath(astMath);
  delete astMath;

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

  // Creates a Parameter ("kcat")

  para = kl->createParameter();
  para->setId("kcat");
  para->setValue(0.1);
  para->setUnits("per_second");


  // Returns the created SBMLDocument object.
  // The returned object must be explicitly deleted by the caller,
  // otherwise a memory leak will happen.

  return sbmlDoc;

}
/**
 *
 * 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);

  // Sets the "initialConcentration" attribute of the Species object.
  //
  //  The units of this Species object is determined by two attributes of this 
  //  Species object ("substanceUnits" and "hasOnlySubstanceUnits") and the
  //  "spatialDimension" attribute of the Compartment object ("cytosol") in which 
  //  this species object located.
  //  Since the default values are used for "substanceUnits" (substance (mole)) 
  //  and "hasOnlySubstanceUnits" (false) and the value of "spatialDimension" (3) 
  //  is greater than 0, the units of this Species object is  mole/litre . 
  //

  sp->setInitialConcentration(1);

  //---------------------------------------------------------------------------
  // (Species2) Creates a Species object ("S2")
  //---------------------------------------------------------------------------

  sp = model->createSpecies();
  sp->setId("S2");
  sp->setCompartment(compName);
  sp->setInitialConcentration(0);


  //---------------------------------------------------------------------------
  //
  // Creates a global Parameter object inside the Model object. 
  //
  //---------------------------------------------------------------------------

  Parameter* para;

  // Creates a Parameter ("t")  

  para = model->createParameter();
  para->setId("t");
  para->setValue(1);
  para->setUnits("second");


  //---------------------------------------------------------------------------
  //
  // Creates Reaction objects inside the Model object. 
  //
  //---------------------------------------------------------------------------
  
  // Temporary pointers.

  Reaction* reaction;
  SpeciesReference* spr;
  KineticLaw* kl;

  //---------------------------------------------------------------------------
  // (Reaction1) Creates a Reaction object ("reaction_1").
  //---------------------------------------------------------------------------

  reaction = model->createReaction();
  reaction->setId("reaction_1");
  reaction->setReversible(false);

  //---------------------------------------------------------------------------
  // Creates Reactant objects inside the Reaction object ("reaction_1"). 
  //---------------------------------------------------------------------------

  // (Reactant1) 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 ("reaction_1"). 
  //---------------------------------------------------------------------------

  // 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 ("reaction_1"). 
  //---------------------------------------------------------------------------
  
  kl = reaction->createKineticLaw();

  //---------------------------------------------------------------------------
  // Sets a math (ASTNode object) to the KineticLaw object.
  //---------------------------------------------------------------------------

  mathXMLString = "<math xmlns=\"http://www.w3.org/1998/Math/MathML\">"
                  "  <apply>"
                  "  <divide/>"
                  "    <apply>"
                  "      <times/>"
                  "      <apply>"
                  "        <ci> f </ci>"
                  "        <ci> S1 </ci>"
                  "      </apply>"
                  "      <ci> compartmentOne </ci>"
                  "    </apply>"
                  "    <ci> t </ci>"
                  "  </apply>"
                  "</math>";

  astMath = readMathMLFromString(mathXMLString.c_str());
  kl->setMath(astMath);
  delete astMath;


  // Returns the created SBMLDocument object.
  // The returned object must be explicitly deleted by the caller,
  // otherwise memory leak will happen.

  return sbmlDoc;
}
예제 #8
0
LIBSBML_CPP_NAMESPACE_USE

int main(int argc,char** argv)
{
  SBMLNamespaces sbmlns(3,1,"fbc",1);

  // create the document

  SBMLDocument *document = new SBMLDocument(&sbmlns);
  document->setPackageRequired("fbc", false);

  // create the Model

  Model* model=document->createModel();

  // create the Compartment

  Compartment* compartment = model->createCompartment();
  compartment->setId("compartment");
  compartment->setConstant(true);
  compartment->setSize(1);

  // create the Species

  Species* species = model->createSpecies();
  species->setId("Node1");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node2");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node3");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node4");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node5");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node6");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node7");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node8");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node0");
  species->setCompartment("compartment");
  species->setBoundaryCondition(true);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("Node9");
  species->setCompartment("compartment");
  species->setBoundaryCondition(true);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  Reaction* reaction = model->createReaction();
  reaction->setId("J0");
  reaction->setReversible(false);
  reaction->setFast(false);
  SpeciesReference* reactant = reaction->createReactant();
  reactant->setSpecies("Node0");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  SpeciesReference* product = reaction->createProduct();
  product->setSpecies("Node1");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J1");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node1");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node2");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J2");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node2");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node3");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J3");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node1");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node4");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J4");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node4");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node3");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J5");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node3");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node5");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J6");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node5");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node6");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J7");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node6");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node7");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J8");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node5");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node8");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J9");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node8");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node7");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("J10");
  reaction->setReversible(false);
  reaction->setFast(false);
  reactant = reaction->createReactant();
  reactant->setSpecies("Node7");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  product = reaction->createProduct();
  product->setSpecies("Node9");
  product->setStoichiometry(1);
  product->setConstant(true);

  //
  // Get a FbcModelPlugin 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 casted for the
  // corresponding derived class.
  //
  FbcModelPlugin* mplugin
      = static_cast<FbcModelPlugin*>(model->getPlugin("fbc"));

  FluxBound* bound= mplugin->createFluxBound();

  bound->setId("bound1");
  bound->setReaction("J0");
  bound->setOperation("equal");
  bound->setValue(10);

  Objective* objective = mplugin->createObjective();
  objective->setId("obj1");
  objective->setType("maximize");

  // mark obj1 as active objective
  mplugin->setActiveObjectiveId("obj1");

  FluxObjective* fluxObjective = objective->createFluxObjective();
  fluxObjective->setReaction("J8");
  fluxObjective->setCoefficient(1);

  writeSBML(document,"fbc_example1.xml");
  delete document;
}
예제 #9
0
LIBSBML_CPP_NAMESPACE_USE

int main(int argc,char** argv)
{
  
  DynPkgNamespaces sbmlns;

  // create the document

  SBMLDocument *document = new SBMLDocument(&sbmlns);
  document->setPackageRequired("dyn", true);

  // create the Model

  Model* model=document->createModel();
  model->setId("singleCell");

  // create the Compartment

  Compartment* compartment = model->createCompartment();
  compartment->setId("Extracellular");
  compartment->setConstant(true);
  compartment->setSize(8000000);
  compartment->setSpatialDimensions(3.0);

  compartment = model->createCompartment();
  compartment->setId("PlasmaMembrane");
  compartment->setConstant(true);
  compartment->setSize(314);
  compartment->setSpatialDimensions(2.0);

  compartment = model->createCompartment();
  compartment->setId("Cytosol");
  compartment->setConstant(true);
  compartment->setSize(523);
  compartment->setSpatialDimensions(3.0);

  // create the Species

  Species* species = model->createSpecies();
  species->setId("C_EC");
  species->setCompartment("Extracellular");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("RTR_M");
  species->setCompartment("PlasmaMembrane");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("RCC_M");
  species->setCompartment("PlasmaMembrane");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("A_C");
  species->setCompartment("Cytosol");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("AA_C");
  species->setCompartment("Cytosol");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("T");
  species->setCompartment("Cytosol");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setInitialConcentration(10);
  species->setHasOnlySubstanceUnits(false);

  species = model->createSpecies();
  species->setId("S");
  species->setCompartment("Cytosol");
  species->setBoundaryCondition(false);
  species->setConstant(false);
  species->setInitialConcentration(5);
  species->setHasOnlySubstanceUnits(false);

  // create the Reactions

  Reaction* reaction = model->createReaction();
  reaction->setId("r1");
  reaction->setReversible(true);
  reaction->setFast(false);
  reaction->setCompartment("Extracellular");
  
  SpeciesReference* reactant = reaction->createReactant();
  reactant->setSpecies("RTR_M");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  
  reactant = reaction->createReactant();
  reactant->setSpecies("C_EC");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  
  SpeciesReference* product = reaction->createProduct();
  product->setSpecies("RCC_M");
  product->setStoichiometry(1);
  product->setConstant(true);

  reaction = model->createReaction();
  reaction->setId("r2");
  reaction->setReversible(true);
  reaction->setFast(false);
  reaction->setCompartment("Cytosol");
  
  reactant = reaction->createReactant();
  reactant->setSpecies("A_C");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  
  product = reaction->createProduct();
  product->setSpecies("AA_C");
  product->setStoichiometry(1);
  product->setConstant(true);

  SimpleSpeciesReference* modifier = reaction->createModifier();
  modifier->setSpecies("RCC_M");

  // Create Event

  Event* event = model->createEvent();
  event->setUseValuesFromTriggerTime(true);

  Trigger* trigger = event->createTrigger();
  trigger->setInitialValue(false);
  trigger->setPersistent(true);
  trigger->setMath(SBML_parseFormula("lt(AA_C, T)"));

  //
  // Get a DynEventPlugin object plugged in the event object.
  //
  // The type of the returned value of SBase::getPlugin() function is
  // SBasePlugin*, and thus the value needs to be casted for the
  // corresponding derived class.
  //
  DynEventPlugin* eplugin
    = static_cast<DynEventPlugin*>(event->getPlugin("dyn"));

  eplugin->setApplyToAll(true);
  eplugin->setCboTerm("http://cbo.biocomplexity.indiana.edu/svn/cbo/trunk/CBO_1_0.owl#CellDeath");
 
  event = model->createEvent();
  event->setUseValuesFromTriggerTime(true);

  trigger = event->createTrigger();
  trigger->setInitialValue(false);
  trigger->setPersistent(true);
  trigger->setMath(SBML_parseFormula("lt(AA_C, S)"));

  eplugin = static_cast<DynEventPlugin*>(event->getPlugin("dyn"));

  eplugin->setApplyToAll(true);
  eplugin->setCboTerm("http://cbo.biocomplexity.indiana.edu/svn/cbo/trunk/CBO_1_0.owl#CellDevision");

  document->checkConsistency();

  if (document->getNumErrors(LIBSBML_SEV_ERROR) > 0)
    document->printErrors();

  writeSBML(document,"dyn_example1.xml");
  delete document;
}
예제 #10
0
파일: GeneNetwork.cpp 프로젝트: jbao/GNW
/**
 * Save the gene network to an SBML file. If the argument is null, use the network id.
 * @param filename URL to the file describing the network to load
 * @throws IOException
 */
void GeneNetwork::writeSBML(const char *filename) {
			
	ofstream data_file(filename); 
    if (!data_file.is_open()) {
        std::cerr << "Failed to open file " << filename << std::endl;
        exit(1);
    }
    data_file.close();
			
	::logging::log::emit<Info>() << "Writing file " << filename <<
		::logging::log::endl;
	
	SBMLDocument *sbmlDoc = new SBMLDocument(3, 1);

	Model *model = sbmlDoc->createModel();
	model->setId(id_);
	//model.getNotes ().add (comment_); // save network description
	
	int size = getSize();
	
	Compartment *comp = model->createCompartment();
  	comp->setId("cell");
	comp->setSize(1);

	std::vector<Species*> all_sp;
	Species *sp;

	for (int s=0; s < size; s++) { // save gene as species
//			species[s] = new Species(nodeIds_.get(s), nodeIds_.get(s));
		sp = model->createSpecies();
  		sp->setCompartment("cell");
  		sp->setId((nodes_.at(s)).getLabel());
  		all_sp.push_back(sp);
		//species[s].setInitialAmount(?); // maybe save the wild-type steady state?
		//model.addSpecies(species[s]);
	}
	
	// create the void species
	sp = model->createSpecies();
  	sp->setCompartment("cell");
  	sp->setId("_void_");
	sp->setInitialAmount(0);
	sp->setBoundaryCondition(true);
	sp->setConstant(true);
	all_sp.push_back(sp);
	//model.addSpecies(species[size]);


	// SET SYNTHESIS AND DEGRADATION REACTIONS FOR EVERY GENE
	for (int i=0; i<size; i++) {
		//::logging::log::emit<Info>() << ::logging::log::dec << i <<
		//::logging::log::endl;
		
		// the ID of gene i
//			String currentGeneID = nodeIds_.get(i);
		string currentGeneID = (nodes_.at(i)).getLabel();
		// The modifiers (regulators) of gene i
		std::vector<std::string> inputGenes = (nodes_.at(i)).getInputGenes();
		
		// SYNTHESIS REACTION
		std::string reactionId = currentGeneID + "_synthesis";
		Reaction *reaction = model->createReaction();
		KineticLaw *kineticLaw = reaction->createKineticLaw();
		SpeciesReference *spr;
		ModifierSpeciesReference *msr;
		reaction->setId(reactionId);
		reaction->setReversible (false);
		spr = reaction->createReactant();
  		spr->setSpecies(sp->getId());
  		spr = reaction->createProduct();
  		spr->setSpecies((all_sp.at(i))->getId());
		
		std::stringstream ss;
		ss << inputGenes.size();
		//::logging::log::emit<Debug>() << "node = " << nodes_.at(i).getLabel().c_str() << " #inputs = " << ss.str().c_str() << ::logging::log::endl;
		
		for (unsigned int r=0; r<inputGenes.size(); r++) {// set gene modifiers
//				reaction.addModifier(species[inputIndexes.get(r)]);
			//log.log(Level.INFO, "i = " + size);
			msr = reaction->createModifier();
			msr->setSpecies((all_sp.at(getIndexOfNode(inputGenes.at(r))))->getId());
		}

		//std::vector<RegulatoryModule> modules = (nodes_.at(i)).getRegulatoryModules();
		//log.log(Level.INFO, "size = " + modules.size());
		std::map<std::string, double> *params = new std::map<std::string, double>();
		(nodes_.at(i)).compileParameters(*params);
		
		//char buf[256];
		//sprintf(buf, "%f", nodes_.at(i).getDelta());
		//::logging::log::emit<Info>() << buf << ::logging::log::endl;
		//::logging::log::emit<Info>() << ::logging::log::dec << nodes_.at(i).getAlpha().size() <<
		//		::logging::log::endl;
		
		Parameter *para;
		// save gene parameters (note, the first param is the degradation rate)
		std::map<std::string, double>::iterator p = params->begin();
		//p++;
		for (; p!=params->end(); p++) {
			//if (p == params->begin()) {
			//	p++;
			//	continue;
			//}
			//::logging::log::emit<Info>() << p->first.c_str() <<
			//	::logging::log::endl;
			if (p->first != "delta") {
				para = kineticLaw->createParameter();
				para->setId(p->first);
				para->setValue(p->second);
			}
		}
		reaction->setKineticLaw(kineticLaw);
		model->addReaction(reaction);

		// DEGRADATION REACTION
		reaction = model->createReaction();
		kineticLaw = reaction->createKineticLaw();
		reactionId = currentGeneID + "_degradation";
		reaction->setId(reactionId);
		reaction->setReversible(false);
		spr = reaction->createReactant();
  		spr->setSpecies((all_sp.at(i))->getId());
  		spr = reaction->createProduct();
  		spr->setSpecies(sp->getId());

		para = kineticLaw->createParameter();
		std::map<std::string,double>::iterator it = params->find("delta");
		para->setId(it->first);
		para->setValue(it->second);
		
		reaction->setKineticLaw (kineticLaw);
		model->addReaction (reaction);
	}
	
	// PRINT FILE
	SBMLWriter sbmlWriter;
	sbmlWriter.writeSBML(sbmlDoc, filename);
	
	delete sbmlDoc;
}
END_TEST

START_TEST(test_FbcExtension_create_and_write_new_geneassociation
)
{
  FbcPkgNamespaces *sbmlns = new FbcPkgNamespaces(3, 1, 2);

  // create the document

  SBMLDocument document(sbmlns);
  document.setConsistencyChecks(LIBSBML_CAT_UNITS_CONSISTENCY, false);
  document.setConsistencyChecks(LIBSBML_CAT_MODELING_PRACTICE, false);

  // create the Model

  Model* model = document.createModel();

  // create the Compartment

  Compartment* compartment = model->createCompartment();
  compartment->setId("compartment");
  compartment->setConstant(true);
  compartment->setSize(1);

  // create the Species

  Species* species = model->createSpecies();
  species->setId("Node1");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);

  species = model->createSpecies();
  species->setId("Node2");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);

  Reaction* reaction = model->createReaction();
  reaction->setId("J0");
  reaction->setReversible(false);
  SpeciesReference* reactant = reaction->createReactant();
  reactant->setSpecies("Node0");
  reactant->setStoichiometry(1);
  SpeciesReference* product = reaction->createProduct();
  product->setSpecies("Node1");
  product->setStoichiometry(1);

  // use fbc

  FbcModelPlugin* mplugin = static_cast<FbcModelPlugin*>(model->getPlugin("fbc"));

  fail_unless(mplugin != NULL);

  FluxBound* bound = mplugin->createFluxBound();

  bound->setId("bound1");
  bound->setReaction("J0");
  bound->setOperation("equal");
  bound->setValue(10);

  Objective* objective = mplugin->createObjective();
  objective->setId("obj1");
  objective->setType("maximize");

  FluxObjective* fluxObjective = objective->createFluxObjective();
  fluxObjective->setReaction("J0");
  fluxObjective->setCoefficient(1);

  FbcReactionPlugin* rplug = dynamic_cast<FbcReactionPlugin*>(reaction->getPlugin("fbc"));
  fail_unless(rplug != NULL);

  GeneProductAssociation * ga = rplug->createGeneProductAssociation();
  ga->setId("ga1");
  ga->setAssociation("MG_077 AND MG_321 AND MG_080 AND MG_078 AND MG_079");
  fail_unless(ga->getAssociation() != NULL);

  fail_unless(mplugin->getNumGeneProducts() == 5);

  ga->setAssociation("MG_077 AND MG_321 AND MG_080 AND MG_078 AND MG_079");
  fail_unless(ga->getAssociation() != NULL);

  fail_unless(mplugin->getNumGeneProducts() == 5);


  delete sbmlns;

}
END_TEST

START_TEST(test_FbcExtension_create_and_write_L3V1V1)
{
  FbcPkgNamespaces *sbmlns = new FbcPkgNamespaces(3, 1, 1);

  // create the document

  SBMLDocument *document = new SBMLDocument(sbmlns);
  delete sbmlns;

  // create the Model

  Model* model = document->createModel();

  // create the Compartment

  Compartment* compartment = model->createCompartment();
  compartment->setId("compartment");
  compartment->setConstant(true);
  compartment->setSize(1);

  // create the Species

  Species* species = model->createSpecies();
  species->setId("Node1");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);

  species = model->createSpecies();
  species->setId("Node2");
  species->setCompartment("compartment");
  species->setBoundaryCondition(false);

  Reaction* reaction = model->createReaction();
  reaction->setId("J0");
  reaction->setReversible(false);
  SpeciesReference* reactant = reaction->createReactant();
  reactant->setSpecies("Node0");
  reactant->setStoichiometry(1);
  SpeciesReference* product = reaction->createProduct();
  product->setSpecies("Node1");
  product->setStoichiometry(1);

  // use fbc

  FbcModelPlugin* mplugin = static_cast<FbcModelPlugin*>(model->getPlugin("fbc"));

  fail_unless(mplugin != NULL);

  FluxBound* bound = mplugin->createFluxBound();

  bound->setId("bound1");
  bound->setReaction("J0");
  bound->setOperation("equal");
  bound->setValue(10);

  Objective* objective = mplugin->createObjective();
  objective->setId("obj1");
  objective->setType("maximize");

  FluxObjective* fluxObjective = objective->createFluxObjective();
  fluxObjective->setReaction("J0");
  fluxObjective->setCoefficient(1);

  string s1 = writeSBMLToStdString(document);

  // check clone()

  SBMLDocument* document2 = document->clone();
  string s2 = writeSBMLToStdString(document2);
  fail_unless(s1 == s2);

  // check operator=

  Model m = *(document->getModel());
  document2->setModel(&m);
  s2 = writeSBMLToStdString(document2);

  fail_unless(s1 == s2);
  delete document2;

  delete document;
}
예제 #13
0
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
  size_t numrxns = GetNumVariablesOfType(allReactions);
  for (size_t rxn=0; rxn < numrxns; rxn++) {
    const Variable* rxnvar = GetNthVariableOfType(allReactions, rxn);
    const AntimonyReaction* reaction = rxnvar->GetReaction();
    if (reaction->IsEmpty()) {
      continue; //Reactions that involve no species are illegal in SBML.
    }
    Reaction* sbmlrxn = sbmlmod->createReaction();
    sbmlrxn->setId(rxnvar->GetNameDelimitedBy(cc));
    if (rxnvar->GetDisplayName() != "") {
      sbmlrxn->setName(rxnvar->GetDisplayName());
    }
    if (reaction->GetType() == rdBecomes) {
      sbmlrxn->setReversible(true);
    }
    else {
      assert(reaction->GetType() == rdBecomesIrreversibly);
      sbmlrxn->setReversible(false);
    }
    const Formula* formula = reaction->GetFormula();
    string formstring = formula->ToSBMLString(rxnvar->GetStrandVars());
    if (!formula->IsEmpty()) {
      KineticLaw* kl = sbmlmod->createKineticLaw();
      ASTNode* math = parseStringToASTNode(formstring);
      kl->setMath(math);
      delete math;
    }
    const ReactantList* left = reaction->GetLeft();
    for (size_t lnum=0; lnum<left->Size(); lnum++) {
      const Variable* nthleft = left->GetNthReactant(lnum);
      double nthstoich = left->GetStoichiometryFor(lnum);
      SpeciesReference* sr = sbmlmod->createReactant();
      sr->setSpecies(nthleft->GetNameDelimitedBy(cc));
      sr->setStoichiometry(nthstoich);
    }
    const ReactantList* right = reaction->GetRight();
    for (size_t rnum=0; rnum<right->Size(); rnum++) {
      const Variable* nthright = right->GetNthReactant(rnum);
      double nthstoich = right->GetStoichiometryFor(rnum);
      SpeciesReference* sr = sbmlmod->createProduct();
      sr->setSpecies(nthright->GetNameDelimitedBy(cc));
      sr->setStoichiometry(nthstoich);
    }
    //Find 'modifiers' and add them.
    vector<const Variable*> subvars = formula->GetVariablesFrom(formstring, m_modulename);
    for (size_t v=0; v<subvars.size(); v++) {
      if (subvars[v] != NULL && subvars[v]->GetType() == varSpeciesUndef) {
        if (left->GetStoichiometryFor(subvars[v]) == 0 &&
            right->GetStoichiometryFor(subvars[v]) == 0) {
          ModifierSpeciesReference* msr = sbmlmod->createModifier();
          msr->setSpecies(subvars[v]->GetNameDelimitedBy(cc));
        }
      }
    }
  }

  //Events
  size_t numevents = GetNumVariablesOfType(allEvents);
  for (size_t ev=0; ev < numevents; ev++) {
    const Variable* eventvar = GetNthVariableOfType(allEvents, ev);
    const AntimonyEvent* event = eventvar->GetEvent();
    Event* sbmlevent = sbmlmod->createEvent();
    sbmlevent->setId(eventvar->GetNameDelimitedBy(cc));
    if (eventvar->GetDisplayName() != "") {
      sbmlevent->setName(eventvar->GetDisplayName());
    }
    Trigger* trig = sbmlevent->createTrigger();
    ASTNode* ASTtrig = parseStringToASTNode(event->GetTrigger()->ToSBMLString());
    trig->setMath(ASTtrig);
    delete ASTtrig;
    const Formula* delay = event->GetDelay();
    if (!delay->IsEmpty()) {
      ASTtrig = parseStringToASTNode(delay->ToSBMLString());
      Delay* sbmldelay = sbmlevent->createDelay();
      sbmldelay->setMath(ASTtrig);
      delete ASTtrig;
    }
      
    long numasnts = static_cast<long>(event->GetNumAssignments());
    for (long asnt=numasnts-1; asnt>=0; asnt--) {
      //events are stored in reverse order.  Don't ask...
      EventAssignment* sbmlasnt = sbmlmod->createEventAssignment();
      sbmlasnt->setVariable(event->GetNthAssignmentVariableName(asnt, cc));
      ASTNode* ASTasnt = parseStringToASTNode(event->GetNthAssignmentFormulaString(asnt, '_', true));
      sbmlasnt->setMath(ASTasnt);
      delete ASTasnt;
    }
  }

  //Interactions
  size_t numinteractions = GetNumVariablesOfType(allInteractions);
  for (size_t irxn=0; irxn<numinteractions; irxn++) {
    const Variable* arxnvar = GetNthVariableOfType(allInteractions, irxn);
    const AntimonyReaction* arxn = arxnvar->GetReaction();
    Reaction* rxn = sbmlmod->getReaction(arxn->GetRight()->GetNthReactant(0)->GetNameDelimitedBy(cc));
    if (rxn != NULL) {
      for (size_t interactor=0; interactor<arxn->GetLeft()->Size(); interactor++) {
        ModifierSpeciesReference* msr = rxn->createModifier();
        msr->setSpecies(arxn->GetLeft()->GetNthReactant(interactor)->GetNameDelimitedBy(cc));
        msr->setName(arxnvar->GetNameDelimitedBy(cc));
      }
    }
  }

  //Unknown variables (turn into parameters)
  size_t numunknown = GetNumVariablesOfType(allUnknown);
  for (size_t form=0; form < numunknown; form++) {
    const Variable* formvar = GetNthVariableOfType(allUnknown, form);
    Parameter* param = sbmlmod->createParameter();
    param->setId(formvar->GetNameDelimitedBy(cc));
    if (formvar->GetDisplayName() != "") {
      param->setName(formvar->GetDisplayName());
    }
    switch(formvar->GetConstType()) {
    case constVAR:
      param->setConstant(true);
      break;
    case constCONST:
      param->setConstant(false);
      break;
    case constDEFAULT:
      break;
    }
  }
}
예제 #14
0
LIBSBML_CPP_NAMESPACE_USE

int main(int argc,char** argv)
{
  
  DynPkgNamespaces sbmlns;
  sbmlns.addPackageNamespace("comp", 1, "comp");

  // create the document

  SBMLDocument *document = new SBMLDocument(&sbmlns);
  document->setPackageRequired("dyn", true);
  document->setPackageRequired("comp", true);

  // create the Model

  Model* model=document->createModel();
  model->setId("grid2x2");

  // create the Compartment

  Compartment* compartment = model->createCompartment();
  compartment->setId("Loc1");
  compartment->setConstant(false);
  compartment->setSize(1);
  compartment->setSpatialDimensions(2.0);

  DynCompartmentPlugin* cplugin =
    static_cast<DynCompartmentPlugin*>(compartment->getPlugin("dyn"));
  
  SpatialComponent* component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANX);
  component->setVariable("q1_X");

  component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANY);
  component->setVariable("q1_Y");

  CompSBasePlugin* compPlugin = 
    static_cast<CompSBasePlugin*>(compartment->getPlugin("comp"));

  ReplacedElement* relement = compPlugin->createReplacedElement();
  relement->setIdRef("C");
  relement->setSubmodelRef("GRID_1_1_cell");

  compartment = model->createCompartment();
  compartment->setId("Loc2");
  compartment->setConstant(false);
  compartment->setSize(1);
  compartment->setSpatialDimensions(2.0);

  cplugin =
    static_cast<DynCompartmentPlugin*>(compartment->getPlugin("dyn"));

  component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANX);
  component->setVariable("q2_X");

  component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANY);
  component->setVariable("q2_Y");

  compPlugin =
    static_cast<CompSBasePlugin*>(compartment->getPlugin("comp"));

  relement = compPlugin->createReplacedElement();
  relement->setIdRef("C");
  relement->setSubmodelRef("GRID_1_2_cell");

  compartment = model->createCompartment();
  compartment->setId("Loc3");
  compartment->setConstant(false);
  compartment->setSize(1);
  compartment->setSpatialDimensions(2.0);

  cplugin =
    static_cast<DynCompartmentPlugin*>(compartment->getPlugin("dyn"));

  component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANX);
  component->setVariable("q3_X");

  component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANY);
  component->setVariable("q3_Y");

  compPlugin =
    static_cast<CompSBasePlugin*>(compartment->getPlugin("comp"));

  relement = compPlugin->createReplacedElement();
  relement->setIdRef("C");
  relement->setSubmodelRef("GRID_2_1_cell");

  compartment = model->createCompartment();
  compartment->setId("Loc4");
  compartment->setConstant(false);
  compartment->setSize(1);
  compartment->setSpatialDimensions(2.0);

  cplugin =
    static_cast<DynCompartmentPlugin*>(compartment->getPlugin("dyn"));

  component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANX);
  component->setVariable("q4_X");

  component = cplugin->createSpatialComponent();
  component->setSpatialIndex(DYN_SPATIALKIND_CARTESIANY);
  component->setVariable("q4_Y");

  compPlugin =
    static_cast<CompSBasePlugin*>(compartment->getPlugin("comp"));

  relement = compPlugin->createReplacedElement();
  relement->setIdRef("C");
  relement->setSubmodelRef("GRID_2_2_cell");

  // create Parameters

  Parameter* param = model->createParameter();
  param->initDefaults();
  param->setId("q1_X");
  param->setValue(1);

  param = model->createParameter();
  param->initDefaults();
  param->setId("q1_Y");
  param->setValue(1);

  param = model->createParameter();
  param->initDefaults();
  param->setId("q2_X");
  param->setValue(2);

  param = model->createParameter();
  param->initDefaults();
  param->setId("q2_Y");
  param->setValue(1);
  
  param = model->createParameter();
  param->initDefaults();
  param->setId("q3_X");
  param->setValue(1);

  param = model->createParameter();
  param->initDefaults();
  param->setId("q3_Y");
  param->setValue(2);

  param = model->createParameter();
  param->initDefaults();
  param->setId("q4_X");
  param->setValue(2);

  param = model->createParameter();
  param->initDefaults();
  param->setId("q4_Y");
  param->setValue(2);

  // create SubModels

  CompModelPlugin* mplugin =
    static_cast<CompModelPlugin*>(model->getPlugin("comp"));

  Submodel* submodel = mplugin->createSubmodel();
  submodel->setId("GRID_1_1_cell");
  submodel->setModelRef("Cell");

  submodel = mplugin->createSubmodel();
  submodel->setId("GRID_1_2_cell");
  submodel->setModelRef("Cell");

  submodel = mplugin->createSubmodel();
  submodel->setId("GRID_2_1_cell");
  submodel->setModelRef("Cell");

  submodel = mplugin->createSubmodel();
  submodel->setId("GRID_2_2_cell");
  submodel->setModelRef("Cell");

  // create the ModelDefinition

  CompSBMLDocumentPlugin* dplugin =
    static_cast<CompSBMLDocumentPlugin*>(document->getPlugin("comp"));
  
  ModelDefinition* mdef = dplugin->createModelDefinition();
  mdef->setId("Cell");

  compartment = mdef->createCompartment();
  compartment->initDefaults();
  compartment->setId("C");
  compartment->setSpatialDimensions(2.0);
  compartment->setSize(1.0);

  Species* species = mdef->createSpecies();
  species->setId("R");
  species->setCompartment("C");
  species->setHasOnlySubstanceUnits(false);
  species->setBoundaryCondition(false);
  species->setConstant(false);

  species = mdef->createSpecies();
  species->setId("S");
  species->setCompartment("C");
  species->setHasOnlySubstanceUnits(false);
  species->setBoundaryCondition(false);
  species->setConstant(false);

  Reaction* reaction = mdef->createReaction();
  reaction->setId("Degradation_R");
  reaction->setReversible(false);
  reaction->setFast(false);
  reaction->setCompartment("C");

  SpeciesReference* reactant = reaction->createReactant();  
  reactant->setSpecies("R");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  
  reaction = mdef->createReaction();
  reaction->setId("Degradation_S");
  reaction->setReversible(false);
  reaction->setFast(false);
  reaction->setCompartment("C");

  reactant = reaction->createReactant();
  reactant->setSpecies("S");
  reactant->setStoichiometry(1);
  reactant->setConstant(true);
  document->checkConsistency();

  Event* event = mdef->createEvent();
  event->setId("event0");
  event->setUseValuesFromTriggerTime(false);

  DynEventPlugin* eplugin =
    static_cast<DynEventPlugin*>(event->getPlugin("dyn"));
  eplugin->setApplyToAll(true);
  eplugin->setCboTerm("http://cbo.biocomplexity.indiana.edu/svn/cbo/trunk/CBO_1_0.owl#CellDivision");

  Trigger* trigger = event->createTrigger();
  trigger->setInitialValue(false);
  trigger->setPersistent(false);
  trigger->setMath(SBML_parseFormula("true"));

  if (document->getNumErrors(LIBSBML_SEV_ERROR) > 0)
    document->printErrors();

  writeSBML(document,"dyn_example2.xml");
  delete document;

}