7.1 OEAssumption

The OEAssumption namespace defines a bitmask that indicates what assumptions can be made about the protein passed to certain OEBio functions. In many cases, if more assumptions can be made, the function can run significantly faster. As long as the assumptions passed with the flag correspond to the protein, identical answers will be returned. The PDBOrder flag refers to whether the atoms have been ordered in the official PDB atom order as is done by the OEChem::OEPDBOrderAtoms function. The BondedResidue flag refers to whether a bond path can be traced between all of the atoms in each individual residue. This can be tested by the OEBio::OEHasBondedResidues function. The ResPerceived function indicates whether the molecules residues have been perceived. This is most commonly carried out with the OEChem::OEPerceiveResidues function.

namespace OEAssumption
{
  const unsigned int None          = 0x0;
  const unsigned int PDBOrder      = 0x1;
  const unsigned int BondedResidue = 0x2;
  const unsigned int ResPerceived  = 0x4;
  const unsigned int Default       = 0xF;
}

				OEChem - API Manual

				OEChem - API Manual