OEReadMDLQueryFile¶

bool OEReadMDLQueryFile(oemolistream &ifs, OEMolBase &mol)

Reads the contents of the MDL query file into the specified OEMolBase object. The atom and bond query features present in the MDL file are attached as generic data to the related atoms and bonds of the OEMolBase object. An OEQMolBase object can be subsequently created from this OEMolBase object by calling the OEBuildMDLQueryExpressions function. OEReadMDLQueryFile is a low-level reader and as such will not call Clear on each read.

See also

Substructure Search with MDL Queries chapter

bool OEReadMDLQueryFile(oemolistream &ifs, OEQMolBase &qmol,
                        unsigned int opts=OEMDLQueryOpts::Default)

Reads the contents of the MDL query file into the specified OEQMolBase object. The option from the OEMDLQueryOpts namespace determine how the MDL query is interpreted.