Modifier and Type | Class and Description |
---|---|
class |
CTFileQueryBond
Captures query bond types defined in the CTFile.
|
class |
OrderQueryBond |
class |
OrderQueryBondOrderOnly
IQueryBond that matches IBond object only based on bond order, and
disregarding any aromaticity flag. |
class |
QueryBond
Implements the concept of a "query bond" between two or more atoms.
|
Modifier and Type | Method and Description |
---|---|
IQueryBond |
QueryBond.clone()
Clones this query bond object, including clones of the atoms between which the
query bond is defined.
|
Modifier and Type | Class and Description |
---|---|
class |
AnyOrderQueryBond
This matches a bond of any order.
|
class |
AromaticOrSingleQueryBond
This matches an aromatic or a single bond, used when no bond is specified between an atom.
|
class |
AromaticQueryBond
This matches an aromatic bond.
|
class |
LogicalOperatorBond
This class matches a logical operator that connects two query bonds.
|
class |
RingBond
This smarts bond matches any bond that is in a ring.
|
class |
SMARTSBond
Abstract smarts bond.
|
class |
StereoBond
This query bond indicates a particular geometric stereo configuration.
|
Modifier and Type | Method and Description |
---|---|
IQueryBond |
LogicalOperatorBond.getLeft() |
IQueryBond |
LogicalOperatorBond.getRight() |
IQueryBond |
RingIdentifierAtom.getRingBond() |
Modifier and Type | Method and Description |
---|---|
void |
LogicalOperatorBond.setLeft(IQueryBond left) |
void |
LogicalOperatorBond.setRight(IQueryBond right) |
void |
RingIdentifierAtom.setRingBond(IQueryBond bond) |
Modifier and Type | Class and Description |
---|---|
class |
PharmacophoreQueryAngleBond
Represents a pharmacophore query angle constraint.
|
class |
PharmacophoreQueryBond
Represents a pharmacophore query distance constraint.
|
Constructor and Description |
---|
DefaultBondMatcher(IQueryBond queryBond)
Deprecated.
Constructor
|
DefaultVFBondMatcher(IQueryBond queryBond)
Deprecated.
Constructor
|
Copyright © 2017. All Rights Reserved.