sdf.h File Reference

#include "nuri/core/molecule.h"
#include "nuri/fmt/base.h"

Include dependency graph for sdf.h:

Go to the source code of this file.

Classes
class	nuri::SDFReader
class	nuri::SDFReaderFactory

Namespaces
namespace	nuri

Enumerations
enum class	nuri::SDFVersion { nuri::kAutomatic , nuri::kV2000 , nuri::kV3000 }

Functions
Molecule	nuri::read_sdf (const std::vector< std::string > &sdf)
	Read a single sdf string and return a molecule.
bool	nuri::write_sdf (std::string &out, const Molecule &mol, int conf=-1, SDFVersion ver=SDFVersion::kAutomatic)
	Write a molecule to an SDF stream.