OEReadCIFGridFile

bool OEReadCIFGridFile( const std::string &filename, OESystem::OESkewGrid &sgrid,
                unsigned int maptype )

Read a structure factor CIF file into an OpenEye skew grid. The grid requires that the proper column name be present to extract the appropriate reflection data.

The following map types can be read using predefined operations on the sfCIF data:

MapType	Description
OEMTZMapType.Fo	Observed Reflections
OEMTZMapType.Fc	Map generated from calculated model
OEMTZMapType.TwoFoFc	2Fo - Fc
OEMTZMapType.ThreeFoTwoFc	3Fo - Fc
OEMTZMapType.FiveFoThreeFc	5Fo - 3Fc
OEMTZMapType.TwoFoFcSigmaA	2Fo - Fc Sigma-A weighted
OEMTZMapType.FoFcSigmaA	Fo - Fc Sigma-A weighted
OEMTZMapType.FoSquared	Fo*Fo
OEMTZMapType.FoFom	Fo * figure of merit
OEMTZMapType.Fwt	2mFo - DFc (normally)
OEMTZMapType.Fdelwt	mFo - DFc (normally)
OEMTZMapType.None	No reflections (used as a status flag)