Modifier and Type | Class and Description |
---|---|
class |
Association
Base class for storing interactions like hydrogen bonds and ionic interactions.
|
class |
Bond
Implements the concept of a covalent bond between two or more atoms.
|
class |
LonePair
A LonePair is an orbital primarily located with one Atom, containing
two electrons.
|
class |
SingleElectron
A Single Electron is an orbital which is occupied by only one electron.
|
Modifier and Type | Class and Description |
---|---|
class |
DebugBond
Debugging data class.
|
class |
DebugElectronContainer
Debugging data class.
|
class |
DebugLonePair
Debugging data class.
|
class |
DebugSingleElectron
Debugging data class.
|
Modifier and Type | Class and Description |
---|---|
class |
OrderQueryBond |
class |
OrderQueryBondOrderOnly
IQueryBond that matches IBond object only based on bond order, and
disregarding any aromaticity flag. |
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 matches bonds with specific stereo type.
|
Modifier and Type | Class and Description |
---|---|
class |
NNBond
Deprecated.
Use the
Bond instead. |
class |
NNElectronContainer
Deprecated.
Use the
ElectronContainer instead. |
class |
NNLonePair
Deprecated.
Use the
LonePair instead. |
class |
NNSingleElectron
Deprecated.
Use the
SingleElectron instead. |
Modifier and Type | Class and Description |
---|---|
class |
PharmacophoreAngleBond
Represents an angle relationship between three pharmacophore groups.
|
class |
PharmacophoreBond
Represents a distance relationship between two pharmacophore groups.
|
class |
PharmacophoreQueryAngleBond
Represents a pharmacophore query angle constraint.
|
class |
PharmacophoreQueryBond
Represents a pharmacophore query distance constraint.
|