Module rdDepictor

Compute 2D coordinates for a molecule. 
  The resulting coordinates are stored on each atom of the molecule 

  ARGUMENTS: 

     mol - the molecule of interest
     canonOrient - orient the molecule in a canonical way
     clearConfs - if true, all existing conformations on the molecule
             will be cleared
     coordMap - a dictionary mapping atom Ids -> Point2D objects 
                with starting coordinates for atoms that should
                have their positions locked.
     nFlipsPerSample - number of rotatable bonds that are
                flipped at random at a time.
     nSample - Number of random samplings of rotatable bonds.
     sampleSeed - seed for the random sampling process.
     permuteDeg4Nodes - allow permutation of bonds at a degree 4
                 node during the sampling process 

  RETURNS: 

     ID of the conformation added to the molecule

C++ signature:
    Compute2DCoords(RDKit::ROMol {lvalue} mol, bool canonOrient=False, bool clearConfs=True, boost::python::dict {lvalue} coordMap={}, unsigned int nFlipsPerSample=0, unsigned int nSample=0, int sampleSeed=0, bool permuteDeg4Nodes=False) -> unsigned int

Compute 2D coordinates for a molecule such 
  that the inter-atom distances mimic those in a user-provided
  distance matrix. 
  The resulting coordinates are stored on each atom of the molecule 

  ARGUMENTS: 

     mol - the molecule of interest
     distMat - distance matrix that we want the 2D structure to mimic
     canonOrient - orient the molecule in a canonical way
     clearConfs - if true, all existing conformations on the molecule
             will be cleared
     weightDistMat - weight assigned in the cost function to mimicing
                     the distance matrix.
                     This must be between (0.0,1.0). (1.0-weightDistMat)
                     is then the weight assigned to improving 
                     the density of the 2D structure i.e. try to
                     make it spread out
     nFlipsPerSample - number of rotatable bonds that are
                flipped at random at a time.
     nSample - Number of random samplings of rotatable bonds.
     sampleSeed - seed for the random sampling process.
     permuteDeg4Nodes - allow permutation of bonds at a degree 4
                 node during the sampling process 

  RETURNS: 

     ID of the conformation added to the molecule

C++ signature:
    Compute2DCoordsMimicDistmat(RDKit::ROMol {lvalue} mol, boost::python::api::object distMat, bool canonOrient=False, bool clearConfs=True, double weightDistMat=0.5, unsigned int nFlipsPerSample=3, unsigned int nSample=100, int sampleSeed=100, bool permuteDeg4Nodes=True) -> unsigned int