OEOmegaReturnCodeΒΆ

Attention

PRELIMINARY-IMAGE This is a preliminary API until 2019.Oct and may be improved based on user feedback. It is currently available in C++ and Python.

This namespace contains constants that are returned by various methods in Omega TK to indicate the outcome.

Success

Method returned successfully.

MissingFFParams

Force field setup failed due to missing parameters.

ExplicitHydrogens

Failed to add explicit hydrogens.

InvalidOptions

Failed due to invalid options.

No3DFromCT

Molecule must be 3 dimensional when fromCT is set to false.

TooManyRotors

Maximum number of rotors exceeded.

UnspecifiedStereo

Failed due to unspecified stereochemistry.

FailedCTBuild

Failed to build structure from CT.

FailedTorDrive

Failed to complete trosion driving.

ExceedsAtomDegree4

Contains atom with degree greater than 4.

FailedDupSetup

Duplicate removal setup failed.

FailedDGConfGen

Unable to generate 3D conformer.

FailedTorAssign

Torsion assignment failed.

FailedSmartMatch

Unable to match SMARTS.

FailedFixMatch

Fixfile match failed.

NoFixedFragment

No fixed fragment found.

Failed

Method failed.