OEReadMDLReactionQueryFile

bool OEReadMDLReactionQueryFile(oemolistream &ifs, OEMolBase &mol)

Reads the contents of the MDL reaction file into the specified OEMolBase object. OEReadMDLReactionQueryFile is a low-level reader and as such will not call Clear on each read.

bool OEReadMDLReactionQueryFile(oemolistream &ifs, OEQMolBase &qmol,
                                unsigned int opts=OEMDLQueryOpts::ReactionQuery)

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

See also

• MDL Reaction Query File section

• Example program libgen.py