CLayout* CCopasiSpringLayout::createLayout(
CDataContainer *parent,
const std::set<const CCompartment*>& compartments,
const std::set<const CReaction*>& reactions,
const std::set<const CMetab*>& metabs,
const std::set<const CMetab*>& sideMetabs,
Parameters* mParams
)
{
CLayout *pResult = new CLayout("Layout", parent);
double fontSize = 16.0;
double fontHeight = fontSize * 1.5;
// create a species glyph for each species in metabs
std::map<const CCompartment*, CompartmentInfo> compInfo;
std::map<const CMetab*, CLMetabGlyph*> metabMap;
std::set<const CMetab*>::const_iterator metabIt;
for (metabIt = metabs.begin(); metabIt != metabs.end(); ++metabIt)
{
if (sideMetabs.find(*metabIt) != sideMetabs.end())
continue;
//estimate the size of the glyph
double width = (double)((*metabIt)->getObjectName().length() * fontSize);
double height = (double)fontHeight;
if (width < height)
{
width = height;
}
//create the glyph
CLMetabGlyph* pMetabGlyph = new CLMetabGlyph;
pMetabGlyph->setDimensions(CLDimensions(width + 4, height + 4));
pMetabGlyph->setModelObjectKey((*metabIt)->getKey());
pResult->addMetaboliteGlyph(pMetabGlyph);
metabMap[*metabIt] = pMetabGlyph;
//create the text glyph for the label
CLTextGlyph* pTextGlyph = new CLTextGlyph;
pTextGlyph->setDimensions(CLDimensions(width, height));
pTextGlyph->setGraphicalObjectKey(pMetabGlyph->getKey());
pTextGlyph->setModelObjectKey((*metabIt)->getKey());
pResult->addTextGlyph(pTextGlyph);
//add up the sizes for the compartment
const CCompartment* pComp = NULL;
if (compartments.find((*metabIt)->getCompartment()) != compartments.end())
pComp = (*metabIt)->getCompartment();
compInfo[pComp].add((width + 4) * (height + 4));
}
//now the reaction glyphs
std::set<const CReaction*>::const_iterator reactIt;
for (reactIt = reactions.begin(); reactIt != reactions.end(); ++reactIt)
{
CLReactionGlyph* pReactionGlyph = new CLReactionGlyph;
//pResult->setDimensions(CLDimensions(width, height));
pReactionGlyph->setModelObjectKey((*reactIt)->getKey());
//pReactionGlyph->getCurve().addCurveSegment(CLLineSegment(CLPoint(x, y),
// CLPoint(x + length, y)));
bool isReversible = (*reactIt)->isReversible();
pResult->addReactionGlyph(pReactionGlyph);
//now add the species reference glyphs.
//substrates
const CDataVector < CChemEqElement >& substrates = (*reactIt)->getChemEq().getSubstrates();
bool substrateExists = false;
CDataVector<CChemEqElement>::const_iterator elIt;
for (elIt = substrates.begin(); elIt != substrates.end(); ++elIt)
{
const CMetab* pMetab = elIt->getMetabolite();
if (!pMetab)
continue;
CLMetabGlyph* pMetabGlyph = NULL;
CLMetabReferenceGlyph::Role role; // = CLMetabReferenceGlyph::SUBSTRATE;
CLMetabReferenceGlyph::Role functionalRole;
//is it a side reactant? If yes, create a new metab glyph
if (sideMetabs.find(pMetab) != sideMetabs.end())
{
//estimate the size of the glyph
double width = (double)((pMetab)->getObjectName().length() * fontSize);
double height = (double)fontHeight;
if (width < height)
{
width = height;
}
//create the glyph
pMetabGlyph = new CLMetabGlyph;
pMetabGlyph->setDimensions(CLDimensions(width + 4, height + 4));
pMetabGlyph->setModelObjectKey(pMetab->getKey());
//TODO: mark as duplicate
pResult->addMetaboliteGlyph(pMetabGlyph);
//create the text glyph for the label
CLTextGlyph* pTextGlyph = new CLTextGlyph;
pTextGlyph->setDimensions(CLDimensions(width, height));
pTextGlyph->setGraphicalObjectKey(pMetabGlyph->getKey());
pTextGlyph->setModelObjectKey(pMetab->getKey());
pResult->addTextGlyph(pTextGlyph);
//add up the sizes for the compartment
const CCompartment* pComp = NULL;
if (compartments.find(pMetab->getCompartment()) != compartments.end())
pComp = pMetab->getCompartment();
compInfo[pComp].add((width + 4) * (height + 4));
role = isReversible
? CLMetabReferenceGlyph::SIDEPRODUCT
: CLMetabReferenceGlyph::SIDESUBSTRATE;
functionalRole = CLMetabReferenceGlyph::SIDESUBSTRATE;
}
else
{
//find the existing metab glyph
std::map<const CMetab*, CLMetabGlyph*>::const_iterator mmIt;
mmIt = metabMap.find(pMetab);
if (mmIt != metabMap.end())
pMetabGlyph = mmIt->second;
role = isReversible
? CLMetabReferenceGlyph::PRODUCT
: CLMetabReferenceGlyph::SUBSTRATE;
functionalRole = CLMetabReferenceGlyph::SUBSTRATE;
}
if (!pMetabGlyph)
continue;
CLMetabReferenceGlyph* pRefGlyph = new CLMetabReferenceGlyph;
//pResult->setModelObjectKey(modelobjectkey);
pRefGlyph->setMetabGlyphKey(pMetabGlyph->getKey());
pRefGlyph->setRole(role);
pRefGlyph->setFunctionalRole(functionalRole);
pReactionGlyph->addMetabReferenceGlyph(pRefGlyph);
substrateExists = true;
} //substrates
// if we have no substrates, add a dummy / invisible node for now
if (!substrateExists)
{
CLMetabGlyph* pMetabGlyph = new CLMetabGlyph;
pMetabGlyph->setDimensions(CLDimensions(1, 1));
pMetabGlyph->setObjectRole("invisible");
pResult->addMetaboliteGlyph(pMetabGlyph);
CLMetabReferenceGlyph* pRefGlyph = new CLMetabReferenceGlyph;
//pResult->setModelObjectKey(modelobjectkey);
pRefGlyph->setMetabGlyphKey(pMetabGlyph->getKey());
pRefGlyph->setRole(CLMetabReferenceGlyph::SUBSTRATE); //TODO side substr?
pRefGlyph->setFunctionalRole(CLMetabReferenceGlyph::SUBSTRATE);
pReactionGlyph->addMetabReferenceGlyph(pRefGlyph);
}
//products
const CDataVector < CChemEqElement >& products = (*reactIt)->getChemEq().getProducts();
bool productExists = false;
for (elIt = products.begin(); elIt != products.end(); ++elIt)
{
const CMetab* pMetab = elIt->getMetabolite();
if (!pMetab)
continue;
CLMetabGlyph* pMetabGlyph = NULL;
CLMetabReferenceGlyph::Role role; // = CLMetabReferenceGlyph::SUBSTRATE;
CLMetabReferenceGlyph::Role functionalRole;
//is it a side reactant? If yes, create a new metab glyph
if (sideMetabs.find(pMetab) != sideMetabs.end())
{
//estimate the size of the glyph
double width = (double)((pMetab)->getObjectName().length() * fontSize);
double height = (double)fontHeight;
if (width < height)
{
width = height;
}
//create the glyph
pMetabGlyph = new CLMetabGlyph;
pMetabGlyph->setDimensions(CLDimensions(width + 4, height + 4));
pMetabGlyph->setModelObjectKey(pMetab->getKey());
//TODO: mark as duplicate
pResult->addMetaboliteGlyph(pMetabGlyph);
//create the text glyph for the label
CLTextGlyph* pTextGlyph = new CLTextGlyph;
pTextGlyph->setDimensions(CLDimensions(width, height));
pTextGlyph->setGraphicalObjectKey(pMetabGlyph->getKey());
pTextGlyph->setModelObjectKey(pMetab->getKey());
pResult->addTextGlyph(pTextGlyph);
//add up the sizes for the compartment
const CCompartment* pComp = NULL;
if (compartments.find(pMetab->getCompartment()) != compartments.end())
pComp = pMetab->getCompartment();
compInfo[pComp].add((width + 4) * (height + 4));
role = CLMetabReferenceGlyph::SIDEPRODUCT;
functionalRole = CLMetabReferenceGlyph::SIDEPRODUCT;
}
else
{
//find the existing metab glyph
std::map<const CMetab*, CLMetabGlyph*>::const_iterator mmIt;
mmIt = metabMap.find(pMetab);
if (mmIt != metabMap.end())
pMetabGlyph = mmIt->second;
role = CLMetabReferenceGlyph::PRODUCT;
functionalRole = CLMetabReferenceGlyph::PRODUCT;
}
if (!pMetabGlyph)
continue;
CLMetabReferenceGlyph* pRefGlyph = new CLMetabReferenceGlyph;
//pResult->setModelObjectKey(modelobjectkey);
pRefGlyph->setMetabGlyphKey(pMetabGlyph->getKey());
pRefGlyph->setRole(role);
pRefGlyph->setFunctionalRole(functionalRole);
pReactionGlyph->addMetabReferenceGlyph(pRefGlyph);
productExists = true;
} //products
// if we have no substrates, add a dummy / invisible node for now
if (!productExists)
{
CLMetabGlyph* pMetabGlyph = new CLMetabGlyph;
pMetabGlyph->setDimensions(CLDimensions(1, 1));
pMetabGlyph->setObjectRole("invisible");
pResult->addMetaboliteGlyph(pMetabGlyph);
CLMetabReferenceGlyph* pRefGlyph = new CLMetabReferenceGlyph;
//pResult->setModelObjectKey(modelobjectkey);
pRefGlyph->setMetabGlyphKey(pMetabGlyph->getKey());
pRefGlyph->setRole(CLMetabReferenceGlyph::PRODUCT); //TODO side substr?
pReactionGlyph->addMetabReferenceGlyph(pRefGlyph);
}
//modifiers
const CDataVector < CChemEqElement >& modifiers = (*reactIt)->getChemEq().getModifiers();
for (elIt = modifiers.begin(); elIt != modifiers.end(); ++elIt)
{
const CMetab* pMetab = elIt->getMetabolite();
if (!pMetab)
continue;
CLMetabGlyph* pMetabGlyph = NULL;
CLMetabReferenceGlyph::Role role; // = CLMetabReferenceGlyph::SUBSTRATE;
//is it a side reactant? If yes, create a new metab glyph
if (sideMetabs.find(pMetab) != sideMetabs.end())
{
//estimate the size of the glyph
double width = (double)((pMetab)->getObjectName().length() * fontSize);
double height = (double)fontHeight;
if (width < height)
{
width = height;
}
//create the glyph
pMetabGlyph = new CLMetabGlyph;
pMetabGlyph->setDimensions(CLDimensions(width + 4, height + 4));
pMetabGlyph->setModelObjectKey(pMetab->getKey());
//TODO: mark as duplicate
pResult->addMetaboliteGlyph(pMetabGlyph);
//create the text glyph for the label
CLTextGlyph* pTextGlyph = new CLTextGlyph;
pTextGlyph->setDimensions(CLDimensions(width, height));
pTextGlyph->setGraphicalObjectKey(pMetabGlyph->getKey());
pTextGlyph->setModelObjectKey(pMetab->getKey());
pResult->addTextGlyph(pTextGlyph);
//add up the sizes for the compartment
const CCompartment* pComp = NULL;
if (compartments.find(pMetab->getCompartment()) != compartments.end())
pComp = pMetab->getCompartment();
compInfo[pComp].add((width + 4) * (height + 4));
role = CLMetabReferenceGlyph::MODIFIER; //TODO SIDEMODIFIER???
}
else
{
//find the existing metab glyph
std::map<const CMetab*, CLMetabGlyph*>::const_iterator mmIt;
mmIt = metabMap.find(pMetab);
if (mmIt != metabMap.end())
pMetabGlyph = mmIt->second;
role = CLMetabReferenceGlyph::MODIFIER;
}
if (!pMetabGlyph)
continue;
CLMetabReferenceGlyph* pRefGlyph = new CLMetabReferenceGlyph;
//pResult->setModelObjectKey(modelobjectkey);
pRefGlyph->setMetabGlyphKey(pMetabGlyph->getKey());
pRefGlyph->setRole(role);
pReactionGlyph->addMetabReferenceGlyph(pRefGlyph);
} //modifiers
} //reactions
//rules
size_t i;
for (i = 0; i < pResult->getListOfMetaboliteGlyphs().size(); ++i)
{
const CLMetabGlyph* pMetabGlyph = &pResult->getListOfMetaboliteGlyphs()[i];
const CMetab* pMetab = dynamic_cast<const CMetab*>(pMetabGlyph->getModelObject());
if (!pMetab)
continue;
if (pMetab->getStatus() == CModelEntity::Status::ODE || pMetab->getStatus() == CModelEntity::Status::ASSIGNMENT)
{
CLGeneralGlyph* pGG = new CLGeneralGlyph;
pGG->setDimensions(CLDimensions(10, 10));
pGG->setObjectRole("rule");
pResult->addGeneralGlyph(pGG);
CLReferenceGlyph* pRefGlyph = new CLReferenceGlyph;
pRefGlyph->setDimensions(CLDimensions(10, 10));
pRefGlyph->setTargetGlyphKey(pMetabGlyph->getKey());
pRefGlyph->setRole("rule connection");
pGG->addReferenceGlyph(pRefGlyph);
}
}
//after all other glyphs are created, create the compartment glyphs
double xxx = 0;
std::set<const CCompartment*>::const_iterator compIt;
for (compIt = compartments.begin(); compIt != compartments.end(); ++compIt)
{
double compSize = 10000;
std::map<const CCompartment*, CompartmentInfo>::const_iterator ccIt;
ccIt = compInfo.find(*compIt);
if (ccIt != compInfo.end())
{
//some glyphs are placed inside this compartment glyph
compSize = ccIt->second.mAreaSum * 40;
}
//create the glyph
CLCompartmentGlyph* pCompGlyph = new CLCompartmentGlyph;
pCompGlyph->setModelObjectKey((*compIt)->getKey());
pCompGlyph->setDimensions(CLDimensions(CLDimensions(sqrt(compSize), sqrt(compSize))));
pCompGlyph->setPosition(CLPoint(xxx, 5));
xxx += sqrt(compSize) + 10;
pResult->addCompartmentGlyph(pCompGlyph);
}
//
// double sss = sqrt(compInfo[NULL].mAreaSum * 40);
//
// // determine and set the layout dimensions
// CLBoundingBox box = pResult->calculateBoundingBox();
// if (box.getDimensions().getWidth() < sss)
// box.getDimensions().setWidth(sss);
//
// if (box.getDimensions().getHeight() < sss)
// box.getDimensions().setHeight(sss);
//
// pResult->setDimensions(CLDimensions(box.getDimensions().getWidth() + 30.0, box.getDimensions().getHeight() + 30.0));
// randomize
CCopasiSpringLayout l(pResult, mParams);
l.randomize();
// determine and set the layout dimensions
CLBoundingBox box = pResult->calculateBoundingBox();
pResult->setDimensions(CLDimensions(box.getDimensions().getWidth() + 30.0, box.getDimensions().getHeight() + 30.0));
return pResult;
}
