Modifier and Type | Class and Description |
---|---|
class |
InverseSymbolSetQueryAtom
Deprecated.
@deprecated Use
new Expr(Element, 6).and(new Expr(Element, 8)).negate() etc |
class |
QueryAtom |
class |
SymbolAndChargeQueryAtom
Deprecated.
|
class |
SymbolChargeIDQueryAtom |
class |
SymbolQueryAtom
Deprecated.
|
class |
SymbolSetQueryAtom
Deprecated.
Use
new Expr(Element, 6).and(new Expr(Element, 8)) etc |
Constructor and Description |
---|
OrderQueryBond(IQueryAtom atom1,
IQueryAtom atom2,
IBond.Order order,
IChemObjectBuilder builder)
Deprecated.
|
OrderQueryBondOrderOnly(IQueryAtom atom1,
IQueryAtom atom2,
IBond.Order order,
IChemObjectBuilder builder)
Deprecated.
|
Modifier and Type | Class and Description |
---|---|
class |
AliphaticAtom
Deprecated.
|
class |
AliphaticSymbolAtom
Deprecated.
|
class |
AnyAtom
Deprecated.
|
class |
AromaticAtom
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 |
MassAtom
Deprecated.
|
class |
NonCHHeavyAtom
Deprecated.
|
class |
PeriodicGroupNumberAtom
Deprecated.
|
class |
ReactionRoleQueryAtom
Deprecated.
|
class |
RecursiveSmartsAtom
Deprecated.
|
class |
RingIdentifierAtom
Deprecated.
|
class |
RingMembershipAtom
Deprecated.
|
class |
SmallestRingAtom
Deprecated.
|
class |
SMARTSAtom
Deprecated.
|
class |
TotalConnectionAtom
Deprecated.
|
class |
TotalHCountAtom
Deprecated.
|
class |
TotalRingConnectionAtom
Deprecated.
|
class |
TotalValencyAtom
Deprecated.
|
Modifier and Type | Method and Description |
---|---|
IQueryAtom |
RingIdentifierAtom.getAtom()
Deprecated.
|
IQueryAtom |
LogicalOperatorAtom.getLeft()
Deprecated.
|
IQueryAtom |
LogicalOperatorAtom.getRight()
Deprecated.
|
Modifier and Type | Method and Description |
---|---|
static SMARTSAtom |
LogicalOperatorAtom.and(IQueryAtom left,
IQueryAtom right)
Deprecated.
Conjunction the provided expressions.
|
static SMARTSAtom |
LogicalOperatorAtom.not(IQueryAtom expr)
Deprecated.
Negate the provided expression.
|
static SMARTSAtom |
LogicalOperatorAtom.or(IQueryAtom left,
IQueryAtom right)
Deprecated.
Disjunction the provided expressions.
|
void |
RingIdentifierAtom.setAtom(IQueryAtom atom)
Deprecated.
|
void |
LogicalOperatorAtom.setLeft(IQueryAtom left)
Deprecated.
|
void |
LogicalOperatorAtom.setRight(IQueryAtom right)
Deprecated.
|
Constructor and Description |
---|
AnyOrderQueryBond(IQueryAtom atom1,
IQueryAtom atom2,
IBond.Order order,
IChemObjectBuilder builder)
Deprecated.
Creates a new instance.
|
AromaticOrSingleQueryBond(IQueryAtom atom1,
IQueryAtom atom2,
IBond.Order order,
IChemObjectBuilder builder)
Deprecated.
Creates a new instance
|
AromaticQueryBond(IQueryAtom atom1,
IQueryAtom atom2,
IBond.Order order,
IChemObjectBuilder builder)
Deprecated.
Creates a new instance
|
SMARTSBond(IQueryAtom atom1,
IQueryAtom atom2,
IBond.Order order,
IChemObjectBuilder builder)
Deprecated.
|
Modifier and Type | Class and Description |
---|---|
class |
PharmacophoreQueryAtom
Represents a query pharmacophore group.
|
Constructor and Description |
---|
DefaultMCSPlusAtomMatcher(IQueryAtom smartQueryAtom,
IQueryAtomContainer container)
Deprecated.
Constructor
|
DefaultVFAtomMatcher(IQueryAtom smartQueryAtom,
IQueryAtomContainer container)
Deprecated.
Constructor
|
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