Module Chem


Functions

CanonSmiles
FindMolChiralCenters
QuickSmartsMatch
SupplierFromFilename
_test

Variables

ADJUST_IGNOREALL
ADJUST_IGNORECHAINS
ADJUST_IGNOREDUMMIES
ADJUST_IGNORENONDUMMIES
ADJUST_IGNORENONE
ADJUST_IGNORERINGS
ALLOW_CHARGE_SEPARATION
ALLOW_INCOMPLETE_OCTETS
AROMATICITY_CUSTOM
AROMATICITY_DEFAULT
AROMATICITY_RDKIT
AROMATICITY_SIMPLE
AllProps
AtomProps
BondProps
CHI_OTHER
CHI_TETRAHEDRAL_CCW
CHI_TETRAHEDRAL_CW
CHI_UNSPECIFIED
COMPOSITE_AND
COMPOSITE_OR
COMPOSITE_XOR
ComputedProps
KEKULE_ALL
LayeredFingerprint_substructLayers
MolProps
NoProps
PrivateProps
QueryAtomData
SANITIZE_ADJUSTHS
SANITIZE_ALL
SANITIZE_CLEANUP
SANITIZE_CLEANUPCHIRALITY
SANITIZE_FINDRADICALS
SANITIZE_KEKULIZE
SANITIZE_NONE
SANITIZE_PROPERTIES
SANITIZE_SETAROMATICITY
SANITIZE_SETCONJUGATION
SANITIZE_SETHYBRIDIZATION
SANITIZE_SYMMRINGS
UNCONSTRAINED_ANIONS
UNCONSTRAINED_CATIONS
__package__

[hide private]