Class and Description |
---|
SmartsToChemObject |
Class and Description |
---|
SmartsScreeningKeys |
Class and Description |
---|
SmartsToChemObject |
Class and Description |
---|
IsomorphismTester |
SmartsParser
Implements SMARTS parser
|
Class and Description |
---|
IsomorphismTester |
SmartsConst.SSM_MODE |
SmartsParser
Implements SMARTS parser
|
Class and Description |
---|
IsomorphismTester |
SmartsParser
Implements SMARTS parser
|
Class and Description |
---|
SmartsConst.SSM_MODE |
SMIRKSManager |
SMIRKSReaction |
Class and Description |
---|
IsomorphismTester |
Class and Description |
---|
SMIRKSManager |
Class and Description |
---|
SMIRKSManager |
Class and Description |
---|
SMIRKSReaction |
Class and Description |
---|
IsomorphismTester |
SmartsParser
Implements SMARTS parser
|
Class and Description |
---|
SMIRKSReaction |
Class and Description |
---|
IsomorphismTester |
QuerySequenceElement |
SmartsAtomExpression |
SmartsConst.SSM_MODE |
SmartsParser
Implements SMARTS parser
|
Class and Description |
---|
CMLUtilities
SMARTSProp is a per atom property &
hvnNrrrrrrrrRRRRRRRR extractSMARTSProperties(IAtomContainer mol)
setCMLSMARTSProperties(IAtomContainer mol)
mol.getAtom(i).setProperty("SMARTSProp", prop);
if already set,
|
IsomorphismTester |
QuerySequenceElement |
SmartsConst.SSM_MODE |
SMIRKSManager |
SMIRKSReaction |
Class and Description |
---|
IsomorphismTester |
SmartsManager
Implements utilities needed for handling searching with SMARTS utilizing JDK
library.
|
SmartsParser
Implements SMARTS parser
|
Class and Description |
---|
Node |
QuerySequenceElement |
SmartsAtomExpression |
SmartsConst.HandleHAtoms |
SMIRKSReaction |
StereoChange |
Class and Description |
---|
IsomorphismTester |
SmartsFlags |
SmartsParser
Implements SMARTS parser
|
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