// $Id$
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#include <GraphMol/ChemReactions/Reaction.h>
#include <GraphMol/Depictor/RDDepictor.h>
#include <boost/foreach.hpp>

namespace RDDepict {
void compute2DCoordsForReaction(RDKit::ChemicalReaction &rxn, double spacing,
                                bool updateProps, bool canonOrient,
                                unsigned int nFlipsPerSample,
                                unsigned int nSamples, int sampleSeed,
                                bool permuteDeg4Nodes) {
  double xOffset = 0.0;
  for (auto templIt = rxn.beginReactantTemplates();
       templIt != rxn.endReactantTemplates(); ++templIt) {
    if (updateProps) {
      (*templIt)->updatePropertyCache(false);
      RDKit::MolOps::setConjugation(**templIt);
      RDKit::MolOps::setHybridization(**templIt);
    }
    compute2DCoords(**templIt, nullptr, canonOrient, true, nFlipsPerSample,
                    nSamples, sampleSeed, permuteDeg4Nodes);
    double minX = 100., maxX = -100.;
    BOOST_FOREACH (RDGeom::Point3D &pt,
                   (*templIt)->getConformer().getPositions()) {
      minX = std::min(pt.x, minX);
    }
    xOffset += minX;
    BOOST_FOREACH (RDGeom::Point3D &pt,
                   (*templIt)->getConformer().getPositions()) {
      pt.x += xOffset;
      maxX = std::max(pt.x, maxX);
    }
    xOffset = maxX + spacing;
  }
  for (auto templIt = rxn.beginProductTemplates();
       templIt != rxn.endProductTemplates(); ++templIt) {
    if (updateProps) {
      (*templIt)->updatePropertyCache(false);
      RDKit::MolOps::setConjugation(**templIt);
      RDKit::MolOps::setHybridization(**templIt);
    }
    compute2DCoords(**templIt, nullptr, canonOrient, true, nFlipsPerSample,
                    nSamples, sampleSeed, permuteDeg4Nodes);
    double minX = 100., maxX = -100.;
    BOOST_FOREACH (RDGeom::Point3D &pt,
                   (*templIt)->getConformer().getPositions()) {
      minX = std::min(pt.x, minX);
    }
    xOffset += minX;
    BOOST_FOREACH (RDGeom::Point3D &pt,
                   (*templIt)->getConformer().getPositions()) {
      pt.x += xOffset;
      maxX = std::max(pt.x, maxX);
    }
    xOffset = maxX + spacing;
  }
}
}  // end of namespace RDKit
