public class Substructure
extends java.lang.Object
Constructor and Description |
---|
Substructure(int groupIndex,
java.lang.String typeID) |
Modifier and Type | Method and Description |
---|---|
void |
add(SuperAtoms superAtom) |
java.util.Collection<SuperAtoms> |
atoms()
super atoms.
|
java.util.Collection<SuperBonds> |
bonds() |
int |
getIndex() |
int |
getSGroupIdentifier() |
SuperAtoms |
getSuperAtom(int i) |
int |
getSuperAtomCount() |
SuperBonds |
getSuperBond(int i) |
int |
getSuperBondCount() |
java.lang.String |
getTypeID() |
boolean |
remove(SuperAtoms superAtoms) |
void |
setSGroupIdentifier(int sgroupIdentifier) |
public Substructure(int groupIndex, java.lang.String typeID)
groupIndex
- index of the super atom group typetypeID
- eg SUPpublic void add(SuperAtoms superAtom)
superAtom
- public boolean remove(SuperAtoms superAtoms)
superAtoms
- public int getSuperAtomCount()
public int getSuperBondCount()
public java.lang.String getTypeID()
public int getIndex()
public java.util.Collection<SuperAtoms> atoms()
public java.util.Collection<SuperBonds> bonds()
public SuperBonds getSuperBond(int i)
i
- public SuperAtoms getSuperAtom(int i)
i
- public int getSGroupIdentifier()
public void setSGroupIdentifier(int sgroupIdentifier)
sgroupIdentifier
- the sgroupIdentifier to set