OEBroodStatusCode¶
Attention
This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.
This namespace contains constants. The error code number can be extracted using OEGetBroodStatus.
BondOrderMismatch
Mismatch attachment bond orders
ExcessStrain
Excess strain
Failed
Failed
Failed2DConstr
Failed to pass 2D constraint
FailedAttachCut
Failed to pass attachment cutoff
FailedConstraints
Failed to pass 3D constraints & receptor clash
FailedETAttach
ET attach failure
FailedInit
Failed to initialize database fragment
FailedPropFilter
Failed to pass property filter
FailedProteinSelect
Protein receptor/selection failure
FailedQueryInit
Failed query initialization
FailedQueryMolRead
Failed to read query molecule
FailedRMSCut
Failed to pass rms Cutoff
FailedShapeCut
Failed to pass shape Cutoff
HasRingAtoms
Has ring atoms
InsuffRingAtoms
Insufficient ring atoms
InvalidOptions
Invalid Options
InvalidScore
Invalid Score
InvalidQuery3D
Query molecule must have 3D coordinates
InvalidQueryAttach
Query selection contains none or more than 3 attachments
InvalidQueryMol
Invalid query molecule
InvalidQueryNoHeavyAtoms
Query selection contains no heavy atoms
InvalidQueryProtein
Invalid query protein
InvalidQueryRing
Query selection contains invalid partial ring
InvalidQuerySel
Query selection does not match molecule
InvalidQuerySelProt
Invalid query selectivity protein
MissingQueryFrag
Missing query fragment
NoAttachPt
No attachment points in database fragment
NoConformers
No conformers available in DB fragment
NoRingAtoms
No ring atoms
NoSelectionClash
No selection clash
ProteinBump
Molecule clashes with protein
ReceptorClash
Receptor clash
SelectFail
Molecule not clashing with selection protein
Success
Success
UnequalAttachPt
Different number of attachments
UnstableBonds
Unstable bonds