8.6 OEFormat

The OEFormat namespace is used to encode symbolic constants representing the molecular file formats that may be read or written by OEChem. The symbol OEFormat::UNDEFINED has the value zero indicating an unrecognized or undefined file format.

The symbol OEFormat::MAXFORMAT is defined as the last value plus one, allowing the convenient declaration of fixed sized arrays and range checking.

namespace OEFormat {
  const unsigned int UNDEFINED =  0;
  const unsigned int SMI       =  1;
  const unsigned int MDL       =  2;
  const unsigned int PDB       =  3;
  const unsigned int MOL2      =  4;
  const unsigned int BIN       =  5;
  const unsigned int TDT       =  6;
  const unsigned int ISM       =  7;
  const unsigned int MOL2H     =  8;
  const unsigned int SDF       =  9;
  const unsigned int CAN       = 10;
  const unsigned int MF        = 11;
  const unsigned int XYZ       = 12;
  const unsigned int FASTA     = 13;
  const unsigned int MOPAC     = 14;
  const unsigned int OEB       = 15;
  const unsigned int MMOD      = 16;
  const unsigned int SLN       = 17;
  const unsigned int MAXFORMAT = 18;
}

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1