Package | Description |
---|---|
org.openscience.cdk.isomorphism.matchers | |
org.openscience.cdk.isomorphism.matchers.smarts | |
org.openscience.cdk.pharmacophore |
Modifier and Type | Class and Description |
---|---|
class |
CTFileQueryBond
Deprecated.
Use
Expr.Type.SINGLE_OR_AROMATIC etc. |
class |
InverseSymbolSetQueryAtom
Deprecated.
@deprecated Use
new Expr(Element, 6).and(new Expr(Element, 8)).negate() etc |
class |
OrderQueryBond
Deprecated.
|
class |
OrderQueryBondOrderOnly
Deprecated.
Use
new QueryBond(beg, end, ORDER, bord) |
class |
QueryAtom |
class |
QueryAtomContainer |
class |
QueryBond
Implements the concept of a "query bond" between two or more atoms.
|
class |
RGroupQuery
Represents information contained in a Symyx RGfile (R-group query file).
It contains a root structure (the scaffold if you like), a map with R-group definitions (each of which can contain multiple substitutes) and a map with attachment points. |
class |
SymbolAndChargeQueryAtom
Deprecated.
|
class |
SymbolChargeIDQueryAtom |
class |
SymbolQueryAtom
Deprecated.
|
class |
SymbolSetQueryAtom
Deprecated.
Use
new Expr(Element, 6).and(new Expr(Element, 8)) etc |
Modifier and Type | Class and Description |
---|---|
class |
AliphaticAtom
Deprecated.
|
class |
AliphaticSymbolAtom
Deprecated.
|
class |
AnyAtom
Deprecated.
|
class |
AnyOrderQueryBond
Deprecated.
|
class |
AromaticAtom
Deprecated.
|
class |
AromaticOrSingleQueryBond
Deprecated.
|
class |
AromaticQueryBond
Deprecated.
|
class |
AromaticSymbolAtom
Deprecated.
|
class |
AtomicNumberAtom
Deprecated.
|
class |
ChiralityAtom
Deprecated.
|
class |
ExplicitConnectionAtom
Deprecated.
|
class |
FormalChargeAtom
Deprecated.
|
class |
HybridizationNumberAtom
Deprecated.
|
class |
HydrogenAtom
Deprecated.
|
class |
ImplicitHCountAtom
Deprecated.
|
class |
LogicalOperatorAtom
Deprecated.
|
class |
LogicalOperatorBond
Deprecated.
|
class |
MassAtom
Deprecated.
|
class |
NonCHHeavyAtom
Deprecated.
|
class |
PeriodicGroupNumberAtom
Deprecated.
|
class |
ReactionRoleQueryAtom
Deprecated.
|
class |
RecursiveSmartsAtom
Deprecated.
|
class |
RingBond
Deprecated.
|
class |
RingIdentifierAtom
Deprecated.
|
class |
RingMembershipAtom
Deprecated.
|
class |
SmallestRingAtom
Deprecated.
|
class |
SMARTSAtom
Deprecated.
|
class |
SMARTSBond
Deprecated.
|
class |
StereoBond
Deprecated.
|
class |
TotalConnectionAtom
Deprecated.
|
class |
TotalHCountAtom
Deprecated.
|
class |
TotalRingConnectionAtom
Deprecated.
|
class |
TotalValencyAtom
Deprecated.
|
Modifier and Type | Class and Description |
---|---|
class |
PharmacophoreQuery
Represents a colleciton of pharmacophore groups and constraints.
|
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