Constructor and Description |
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SimpleGridPoint() |
Modifier and Type | Method and Description |
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void |
addProperty(String k,
V v)
add one element in properties
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java.util.Set<Atom> |
getAtomsInTwoClosestMolecules()
get atoms of two closest molecules of a grid point
|
Coord |
getCoordinate()
get the value of coordinate
|
int |
getIndexInCube()
get the index of a grid point in cube
|
java.util.Map<String,V> |
getProperties()
get the value of properties
|
V |
getProperty(String k)
get one element's value in properties by key K
|
java.util.Set<Atom> |
getTwoClosestAtoms()
get two closest atoms in properties
|
java.util.Set<Molecule> |
getTwoClosestMolecules()
get two closest molecules in properties
|
void |
setCoordinate(Coord coordinate)
set the coordinate of a grid point
|
void |
setIndexInCube(int indexInCube)
set the index of a grid point in cube
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void |
setProperties(java.util.Map<String,V> properties)
set the value of properties
|
public void addProperty(String k, V v)
GridPoint
addProperty
in interface GridPoint<String,V>
k
- :String , the key(name) of propertyv
- :Object, the value of propertypublic V getProperty(String k)
GridPoint
getProperty
in interface GridPoint<String,V>
k
- String
public Coord getCoordinate()
GridPoint
getCoordinate
in interface GridPoint<String,V>
Coord
public void setCoordinate(Coord coordinate)
GridPoint
setCoordinate
in interface GridPoint<String,V>
coordinate
- Coord
public java.util.Map<String,V> getProperties()
GridPoint
getProperties
in interface GridPoint<String,V>
Map
, the key is a Stringpublic void setProperties(java.util.Map<String,V> properties)
GridPoint
setProperties
in interface GridPoint<String,V>
properties
- : Map
, the key is a Stringpublic int getIndexInCube()
GridPoint
getIndexInCube
in interface GridPoint<String,V>
public void setIndexInCube(int indexInCube)
GridPoint
setIndexInCube
in interface GridPoint<String,V>
indexInCube
- , Integer
public java.util.Set<Atom> getTwoClosestAtoms()
GridPoint
getTwoClosestAtoms
in interface GridPoint<String,V>
Set
of Atoms
Atom
public java.util.Set<Molecule> getTwoClosestMolecules()
GridPoint
getTwoClosestMolecules
in interface GridPoint<String,V>
Set
of Molecules
Molecule