public class Sgroup extends Object
Constructor and Description |
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Sgroup()
Create a new generic Sgroup.
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Modifier and Type | Method and Description |
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void |
addAtom(IAtom atom)
Add an atom to this Sgroup.
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void |
addBond(IBond bond)
Add a bond to this Sgroup.
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void |
addBracket(SgroupBracket bracket)
Add a bracket for this Sgroup.
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void |
addParent(Sgroup parent)
Add a parent Sgroup.
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<T> T |
downcast()
Downcast this, maybe generic, Sgroup to a specific concrete implementation.
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Set<IAtom> |
getAtoms()
Access the atoms of this substructure group.
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Set<SgroupKey> |
getAttributeKeys()
Access all the attribute keys of this Sgroup.
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Set<IBond> |
getBonds()
Access the bonds that belong to this substructure group.
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Set<Sgroup> |
getParents()
Access the parents of this Sgroup.
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String |
getSubscript()
Access the subscript value.
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SgroupType |
getType()
Access the type of the Sgroup.
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<T> T |
getValue(SgroupKey key)
Access an attribute for the Sgroup.
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void |
putValue(SgroupKey key,
Object val)
Store an attribute for the Sgroup.
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void |
removeAtom(IAtom atom)
Remove an atom from this Sgroup.
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void |
removeBond(IBond bond)
Remove a bond from this Sgroup.
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void |
removeParents(Collection<Sgroup> parents)
Remove the specified parent associations from this Sgroup.
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void |
setSubscript(String label)
Set the subscript value.
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void |
setType(SgroupType type)
Set the type of the Sgroup.
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public final Set<SgroupKey> getAttributeKeys()
public final void setType(SgroupType type)
public final SgroupType getType()
public final Set<IAtom> getAtoms()
public final Set<IBond> getBonds()
public final Set<Sgroup> getParents()
public final void addAtom(IAtom atom)
atom
- the atompublic final void removeAtom(IAtom atom)
atom
- the atompublic final void addBond(IBond bond)
bond
- bond to addpublic final void removeBond(IBond bond)
bond
- the bondpublic final void addParent(Sgroup parent)
parent
- parent sgrouppublic final void removeParents(Collection<Sgroup> parents)
parents
- parent associationspublic void putValue(SgroupKey key, Object val)
key
- attribute keyval
- attribute valuepublic <T> T getValue(SgroupKey key)
key
- attribute keypublic final String getSubscript()
public final void setSubscript(String label)
public final void addBracket(SgroupBracket bracket)
bracket
- sgroup bracketpublic <T> T downcast()
T
- return typeCopyright © 2022. All rights reserved.