8.22 OEResidueIndex

The namespace is used to encode the return values from the OEGetResidueIndex function(s). If the biopolymer residue name is not recognized, the OEGetResidueIndex function returns either a zero or a unsigned integer value other than the values listed below. As future releases of OEChem may add to this namespace, code should not test for against zero, but instead check against the values that its interested in and treat all other values as ``unrecognized''.

The table below lists the symbolic constant names that are assigned integer values in OEChem's headers. These actual constants are not listed here, as they may change from release to release and therefore the symbolic names should be used. However, because these values really are unsigned integer constants they may be used, for example, in the cases of a switch statement, i.e. their values are known by the compiler at compile-time.

namespace OEResidueIndex
{
  const unsigned int ALA;
  const unsigned int ARG;
  const unsigned int ASN;
  const unsigned int ASP;
  const unsigned int CYS;
  const unsigned int GLN;
  const unsigned int GLU;
  const unsigned int GLY;
  const unsigned int HIS;
  const unsigned int ILE;
  const unsigned int LEU;
  const unsigned int LYS;
  const unsigned int MET;
  const unsigned int PHE;
  const unsigned int PRO;
  const unsigned int SER;
  const unsigned int THR;
  const unsigned int TRP;  // TRY
  const unsigned int TYR;
  const unsigned int VAL;

  const unsigned int UNK;
  const unsigned int ASX;
  const unsigned int GLX;
  const unsigned int CYX;  // CSS
  const unsigned int CYH;  // CSH
  const unsigned int HID;
  const unsigned int HIE;
  const unsigned int HIP;

  const unsigned int A;  // ADE
  const unsigned int C;  // CYT
  const unsigned int G;  // GUA
  const unsigned int T;  // THY
  const unsigned int U;  // URA

  const unsigned int HSE;
  const unsigned int HYP;
  const unsigned int HYL;
  const unsigned int MSE;
  const unsigned int ORN;
  const unsigned int SAR;
  const unsigned int TAU;

  const unsigned int HOH;  // H2O, DOD, D2O, WAT, TIP, SOL, OH2, OD2
  const unsigned int SO4;  // SUL
  const unsigned int PO4;
  const unsigned int  CL;
  const unsigned int  BR;
  const unsigned int IOD;
  const unsigned int GOL;
  const unsigned int PER;
  const unsigned int MOH;
  const unsigned int EOH;
}

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1