OEWriteMolReturnCode

The OEWriteMolReturnCode namespace encodes symbolic constants representing error codes returned by the high-level write functions OEWriteMolecule and OEWriteConstMolecule.

This namespace contains the following constants:

Success

This constant indicates that the molecule has been written out successfully.

FormatNotWritable

This constant indicates that an unsupported output format for write was attempted. See OEIsWriteable.

OEBWriteFailure

This constant indicates a general error occurred when serializing the structure to OEFormat_OEB.

TooManyAtoms

This constant indicate that the molecule exceeds the limits for the specified format, for example: >99999 atoms for OEFormat_PDB.

NoConformer

This constant indicates that writing a multi-conformer molecule has failed due to a missing conformation.

InvalidSDData

This constant indicates that invalid SD data is present on the structure which would result in a noncompliant output OEFormat_SDF format. An attempt was made to alter the output data to ensure compliance with strict readers.

MolInvalidForFileFormatSpec

This constant indicates that a molecule cannot be written to the requested format, because it would violate the format spec. As an example, not all molecules read from MMCIF can be written to the PDB file format. Examples issues are, multi-character chain IDs and residue names exceeding the 3-character limit in PDB format.