Package | Description |
---|---|
ambit2.smarts |
SMARTS parser |
ambit2.smarts.groups | |
ambit2.smarts.smirks |
Modifier and Type | Field and Description |
---|---|
List<SmartsAtomExpression> |
SMIRKSReaction.productRecursiveAtoms |
List<SmartsAtomExpression> |
SMIRKSReaction.reactantRecursiveAtoms |
Modifier and Type | Method and Description |
---|---|
List<SmartsAtomExpression> |
SMIRKSManager.getRecursiveAtoms(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer query) |
static List<SmartsAtomExpression> |
SmartsToChemObject.getSubExpressions(SmartsAtomExpression a,
int separator) |
static List<SmartsAtomExpression> |
StereoFromSmartsAtomExpression.getSubExpressions(SmartsAtomExpression a,
int separator) |
Modifier and Type | Method and Description |
---|---|
void |
SmartsToChemObject.analyzeSubExpressionsFromLowAnd(SmartsAtomExpression atExp,
SmartsAtomExpression sub) |
static int |
StereoFromSmartsAtomExpression.analyzeSubExpressionsFromLowAnd(SmartsAtomExpression atExp,
SmartsAtomExpression sub) |
static String |
SmartsHelper.getAtomExpressionTokens(SmartsAtomExpression expression) |
static int |
StereoFromSmartsAtomExpression.getExpressionAtomChirality(SmartsAtomExpression atExp,
SmartsAtomExpression sub) |
int |
SmartsToChemObject.getExpressionAtomType(SmartsAtomExpression atExp,
SmartsAtomExpression sub) |
int |
SmartsToChemObject.getRecursiveExpressionAtomType(SmartsAtomExpression atExp,
int n) |
static int |
StereoFromSmartsAtomExpression.getStereo(SmartsAtomExpression a) |
static List<SmartsAtomExpression> |
SmartsToChemObject.getSubExpressions(SmartsAtomExpression a,
int separator) |
static List<SmartsAtomExpression> |
StereoFromSmartsAtomExpression.getSubExpressions(SmartsAtomExpression a,
int separator) |
org.openscience.cdk.interfaces.IAtom |
SmartsToChemObject.smartsExpressionToAtom(SmartsAtomExpression a)
This function tries to convert the SmartsAtomExpression to a IAtom with
defined atom type.
|
Modifier and Type | Method and Description |
---|---|
void |
SMIRKSManager.mapRecursiveAtomsAgainstTarget(List<SmartsAtomExpression> recursiveAtoms,
org.openscience.cdk.interfaces.IAtomContainer target) |
Modifier and Type | Method and Description |
---|---|
List<SmartsAtomExpression> |
GroupMatch.getRecursiveAtoms(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer query) |
Modifier and Type | Method and Description |
---|---|
void |
GroupMatch.mapRecursiveAtomsAgainstTarget(List<SmartsAtomExpression> recursiveAtoms,
org.openscience.cdk.interfaces.IAtomContainer target) |
Modifier and Type | Method and Description |
---|---|
static int |
HAtomManager.getHAtoms(SmartsAtomExpression a) |
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