DetermineBonds.h File Reference

#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>

Go to the source code of this file.

Classes
class	RDKit::MaxFindBondOrdersItersExceeded

Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_DETERMINEBONDS_EXPORT void	RDKit::determineConnectivity (RWMol &mol, bool useHueckel=false, int charge=0, double covFactor=1.3, bool useVdw=false)
RDKIT_DETERMINEBONDS_EXPORT void	RDKit::determineBondOrders (RWMol &mol, int charge=0, bool allowChargedFragments=true, bool embedChiral=true, bool useAtomMap=false, size_t maxIterations=0)
RDKIT_DETERMINEBONDS_EXPORT void	RDKit::determineBonds (RWMol &mol, bool useHueckel=false, int charge=0, double covFactor=1.3, bool allowChargedFragments=true, bool embedChiral=true, bool useAtomMap=false, bool useVdw=false, size_t maxIterations=0)