org.wallerlab.yoink.api.model.cube

Interface Cube

All Known Implementing Classes:

SimpleCube

public interface Cube

this interface is for domain model cube

Method Summary

Modifier and Type	Method and Description
java.util.Set<Atom>	getAtoms() get the atoms in the cube
java.util.List<Coord>	getCoordinates() get the coordinates of grid points in the cube
java.util.List<DensityPoint.DensityType>	getDensityTypes() get the value of density types of the cube
Coord	getGridOrigin() get the value of origin coordinate of the cube
java.util.Set<Molecule>	getMolecules() get the molecules in the cube
java.lang.String	getName() get the name of the cube
int[]	getNumberOfXYZSteps() get the number of steps along xyz axes
int	getSize() get the number of grid points in the cube
java.util.List<java.lang.Double>	getValues() get the values of grid points in the cube
double[]	getXyzStepSize() get the step size along xyz axes
void	setCoordinates(java.util.List<Coord> coordinates) set the coordinates of grid points in the cube
void	setDensityTypes(java.util.List<DensityPoint.DensityType> densityTypes) set the value of density types of the cube
void	setGridOrigin(Coord gridOrigin) set the value of origin coordinate of the cube
void	setMolecules(java.util.Set<Molecule> molecules) set the value of molecules in the cube
void	setName(java.lang.String name) set the name of the cube
void	setNumberOfXYZSteps(int[] numberOfXYZSteps) set the number of steps along xyz axes
void	setSize(int size) set the number of grid points in the cube
void	setValues(java.util.List<java.lang.Double> values) set teh values of grid points in the cube

Method Detail

getGridOrigin

Coord getGridOrigin()

get the value of origin coordinate of the cube

Returns:

Coord

setGridOrigin

void setGridOrigin(Coord gridOrigin)

set the value of origin coordinate of the cube

Parameters:

gridOrigin - -Coord

getNumberOfXYZSteps

int[] getNumberOfXYZSteps()

get the number of steps along xyz axes

Returns:

an int array

setNumberOfXYZSteps

void setNumberOfXYZSteps(int[] numberOfXYZSteps)

set the number of steps along xyz axes

Parameters:

numberOfXYZSteps - , an int array with 3 elements

getXyzStepSize

double[] getXyzStepSize()

get the step size along xyz axes

Returns:

a double array

getMolecules

java.util.Set<Molecule> getMolecules()

get the molecules in the cube

Returns:

a Set of molecules. - Molecule

getAtoms

java.util.Set<Atom> getAtoms()

get the atoms in the cube

Returns:

a Set of atoms.- Atom

setMolecules

void setMolecules(java.util.Set<Molecule> molecules)

set the value of molecules in the cube

Parameters:

molecules - -a Set of molecules. Molecule

getName

java.lang.String getName()

get the name of the cube

Returns:

name -String

setName

void setName(java.lang.String name)

set the name of the cube

Parameters:

name - -String

getDensityTypes

java.util.List<DensityPoint.DensityType> getDensityTypes()

get the value of density types of the cube

Returns:

a DensityPoint.DensityType List

setDensityTypes

void setDensityTypes(java.util.List<DensityPoint.DensityType> densityTypes)

set the value of density types of the cube

Parameters:

densityTypes - -a DensityPoint.DensityType List

getSize

int getSize()

get the number of grid points in the cube

Returns:

number of grid points -Integer

setSize

void setSize(int size)

set the number of grid points in the cube

Parameters:

size - , number of grid points -Integer

getCoordinates

java.util.List<Coord> getCoordinates()

get the coordinates of grid points in the cube

Returns:

a Coord List

setCoordinates

void setCoordinates(java.util.List<Coord> coordinates)

set the coordinates of grid points in the cube

Parameters:

coordinates - , a Coord List

getValues

java.util.List<java.lang.Double> getValues()

get the values of grid points in the cube

Returns:

a Double List

setValues

void setValues(java.util.List<java.lang.Double> values)

set teh values of grid points in the cube

Parameters:

values - , a Double List