org.wallerlab.yoink.api.model.cube

Interface GridPoint<String,V>

All Known Implementing Classes:

SimpleGridPoint

public interface GridPoint<String,V>

this interface is for a grid point in the cube Cube

Method Summary

Modifier and Type	Method and Description
void	addProperty(String k, V v) add one element in properties
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
void	setProperties(java.util.Map<String,V> properties) set the value of properties

Method Detail

addProperty

void addProperty(String k,
                 V v)

add one element in properties

Parameters:

k - :String , the key(name) of property

v - :Object, the value of property

getProperty

V getProperty(String k)

get one element's value in properties by key K

Parameters:

k - String

Returns:

V :Object, the value of property

getCoordinate

Coord getCoordinate()

get the value of coordinate

Returns:

Coord Coord

setCoordinate

void setCoordinate(Coord coordinate)

set the coordinate of a grid point

Parameters:

coordinate - Coord

getProperties

java.util.Map<String,V> getProperties()

get the value of properties

Returns:

properties : Map, the key is a String

setProperties

void setProperties(java.util.Map<String,V> properties)

set the value of properties

Parameters:

properties - : Map, the key is a String

getIndexInCube

int getIndexInCube()

get the index of a grid point in cube

Returns:

int

setIndexInCube

void setIndexInCube(int indexInCube)

set the index of a grid point in cube

Parameters:

indexInCube - , Integer

getTwoClosestAtoms

java.util.Set<Atom> getTwoClosestAtoms()

get two closest atoms in properties

Returns:

a Set Set of Atoms Atom

getTwoClosestMolecules

java.util.Set<Molecule> getTwoClosestMolecules()

get two closest molecules in properties

Returns:

a Set Set of Molecules Molecule

getAtomsInTwoClosestMolecules

java.util.Set<Atom> getAtomsInTwoClosestMolecules()

get atoms of two closest molecules of a grid point

Returns:

a Set Set of Atoms Atom