public class AtomParity extends Object implements IAtomParity, Serializable
Constructor and Description |
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AtomParity(IAtom centralAtom,
IAtom first,
IAtom second,
IAtom third,
IAtom fourth,
int parity)
Constructs an completely unset AtomParity.
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Modifier and Type | Method and Description |
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Object |
clone()
Clones this AtomParity object.
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IAtom |
getAtom()
Returns the atom for which this parity is defined.
|
IChemObjectBuilder |
getBuilder()
Returns a
IChemObjectBuilder for the data classes that extend
this class. |
int |
getParity()
Returns the parity value.
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IAtom[] |
getSurroundingAtoms()
Returns the four atoms that define the stereochemistry for
this parity.
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IAtomParity |
map(Map<IAtom,IAtom> atoms,
Map<IBond,IBond> bonds)
Map the atoms/bonds in this instance to a new stereo element using the
provided atom/bond mapping.
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String |
toString()
Returns a one line string representation of this AtomParity.
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public AtomParity(IAtom centralAtom, IAtom first, IAtom second, IAtom third, IAtom fourth, int parity)
centralAtom
- Atom for which the parity is definedfirst
- First Atom of four that define the stereochemistrysecond
- Second Atom of four that define the stereochemistrythird
- Third Atom of four that define the stereochemistryfourth
- Fourth Atom of four that define the stereochemistryparity
- +1 or -1, defining the paritypublic IAtom getAtom()
getAtom
in interface IAtomParity
public IAtom[] getSurroundingAtoms()
getSurroundingAtoms
in interface IAtomParity
public int getParity()
getParity
in interface IAtomParity
public String toString()
public Object clone() throws CloneNotSupportedException
clone
in class Object
CloneNotSupportedException
@TestMethod(value="testMap_Map_Map,testMap_Null_Map,testMap_Map_Map_NullElement,testMap_Map_Map_EmptyMapping") public IAtomParity map(Map<IAtom,IAtom> atoms, Map<IBond,IBond> bonds)
IStereoElement
map
in interface IAtomParity
map
in interface IStereoElement
atoms
- non-null atom mapping, used to convert the original atoms to their mapped
counterpartsbonds
- non-null bond mapping, used to convert the original bonds to their mapped
counterpartspublic IChemObjectBuilder getBuilder()
ICDKObject
IChemObjectBuilder
for the data classes that extend
this class.getBuilder
in interface ICDKObject
IChemObjectBuilder
matching this ICDKObject