Class | Description |
---|---|
AliphaticAtom |
This matcher any non-aromatic atom.
|
AliphaticSymbolAtom |
This smarts atom matches aliphatic atom with element symbol specified.
|
AnyAtom |
This matcher any Atom including explicit hydrogens.
|
AnyOrderQueryBond |
This matches a bond of any order.
|
AromaticAtom |
This matcher any aromatic atom.
|
AromaticOrSingleQueryBond |
This matches an aromatic or a single bond, used when no bond is specified between an atom.
|
AromaticQueryBond |
This matches an aromatic bond.
|
AromaticSymbolAtom |
This class matches aromatic atom with element symbol specified.
|
AtomicNumberAtom |
This matches an atom using the atomic number.
|
ChiralityAtom |
This matches an atom with chirality property.
|
ExplicitConnectionAtom |
Match an atom with the defined degree.
|
FormalChargeAtom |
This matcher checks the formal charge of the Atom.
|
HybridizationNumberAtom |
This matcher checks the hybridization state of an atom.
|
HydrogenAtom |
This matches Hydrogen atoms.
|
ImplicitHCountAtom |
This matcher checks the number of implicit hydrogens of the Atom.
|
LogicalOperatorAtom |
This class matches a logical operator that connects two query atoms.
|
LogicalOperatorBond |
This class matches a logical operator that connects two query bonds.
|
MassAtom |
This class matches an atom based on the atomic mass.
|
NonCHHeavyAtom |
This matcher any heavy atom that is not C or H.
|
OrderQueryBond |
This matches a bond with a certain bond order.
|
PeriodicGroupNumberAtom |
This matcher checks the periodic group number of an atom.
|
ReactionRoleQueryAtom |
Matches atoms with a particular role in a reaction.
|
RecursiveSmartsAtom |
This matches recursive smarts atoms.
|
RingBond |
This smarts bond matches any bond that is in a ring.
|
RingIdentifierAtom |
This encapsulates an atom with a ring identifier, with an optional ring
bond specified.
|
RingMembershipAtom |
This query is found in a specified number of ring.
|
SmallestRingAtom |
Match an atom in a specific size ring.
|
SMARTSAtom |
Abstract smarts atom.
|
SMARTSBond |
Abstract smarts bond.
|
SmartsMatchers |
Bridging class between the SMARTS matcher and the parser/query tool.
|
StereoBond |
This query bond indicates a particular geometric stereo configuration.
|
TotalConnectionAtom |
This matches an atom using total number of connections - referred to in
SMARTS as the connectivity.
|
TotalHCountAtom |
SMARTS query atom for matching the total hydrogen count.
|
TotalRingConnectionAtom |
This matcher checks the number of ring connections of the checked Atom with
other Atom's.
|
TotalValencyAtom |
This matcher checks the valence of the Atom.
|
Enum | Description |
---|---|
StereoBond.Direction |
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