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public interface IRuleSubstructures
An interface to support substructure rules
Method Summary | |
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void |
addSubstructure(org.openscience.cdk.interfaces.IAtomContainer fragment)
Adds a substructure AtomContainer to the rule |
void |
clearSubstructures()
removes all substructures defined for a rule |
org.openscience.cdk.interfaces.IAtomContainer |
getSubstructure(int index)
Returns a substructure AtomContainer at a given rules |
java.util.List |
getSubstructures()
Returns a list ArrayList of AtomContainer defined for the rule |
int |
getSubstructuresCount()
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org.openscience.cdk.interfaces.IAtomContainer |
removeSubstructure(int index)
Removes substructure at a given index |
void |
setSubstructure(int index,
org.openscience.cdk.interfaces.IAtomContainer atomContainer)
sets substructure at index |
Methods inherited from interface toxTree.core.IDecisionRule |
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addPropertyChangeListener, clearFlags, clone, getEditor, getExampleMolecule, getExplanation, getID, getNum, getSelector, getTitle, hideResiduesID, isEditable, isImplemented, isResidueIDHidden, removePropertyChangeListener, setEditable, setExampleMolecule, setExplanation, setID, setNum, setTitle, toString, verifyRule |
Method Detail |
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void addSubstructure(org.openscience.cdk.interfaces.IAtomContainer fragment)
AtomContainer
to the rule
fragment
- org.openscience.cdk.interfaces.IAtomContainer getSubstructure(int index)
AtomContainer
at a given rules
index
-
AtomContainer
void setSubstructure(int index, org.openscience.cdk.interfaces.IAtomContainer atomContainer)
index
- atomContainer
- void clearSubstructures()
int getSubstructuresCount()
org.openscience.cdk.interfaces.IAtomContainer removeSubstructure(int index)
index
-
AtomContainer
java.util.List getSubstructures()
ArrayList
of AtomContainer
defined for the rule
List
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