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
DBSetupFailed
Failed to setup database reader with query molecule
EmptyDatabase
Database is empty of fragments
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
FailedFragFilter
Failed to initialize fragment filtering
FailedInit
Failed to initialize database fragment
FailedInitAttach
Failed to initialize attachment geometries
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
FailedSetupOpt
Failed to setup optimization
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
ManifestCheckFailed
Manifest check failed to find a complete brood database
MissingQueryFrag
Missing query fragment
NewFPGenerated
New fingerprints generated
NoAttachPt
No attachment points in database fragment
NoConformers
No conformers available in DB fragment
NoCPDDBGenerated
Unable to generate similarity database from cpddb
NoRingAtoms
No ring atoms
NoSelectionClash
No selection clash
PreGeneratedFPDetected
Identified and using pre-generated fingerprints for cpddb similarity
ProteinBump
Molecule clashes with protein
ReceptorClash
Receptor clash
SelectFail
Molecule not clashing with selection protein
Success
Success
UnableToFindDatabase
Unable to find brood database directory
UnableToOpenDatabase
Unable to open database (corrupt or nonexistent file)
UnequalAttachPt
Different number of attachments
UnstableBonds
Unstable bonds