Region.Name
Constructor and Description |
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SimpleRegion()
default Region constructor
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SimpleRegion(Region.Name name)
construct a new Region with the region name
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Modifier and Type | Method and Description |
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void |
addAll(java.util.Map<Molecule,java.lang.Integer> map)
add a Map(Molecule, Integer) to this molecularMap
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void |
addMolecule(Molecule molecule,
java.lang.Integer index)
add one element(Molecule,Integer) in this molecularMap
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void |
changeMolecularId()
change the id of molecules with the name of region
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void |
changeMolecularId(Region.Name name)
change the id of molecules with the given name
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boolean |
containsAll(java.util.Set<Molecule> molecules)
check if all molecules are in the region
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java.util.List<Atom> |
getAtoms()
get all atoms in the region
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Coord |
getCenterOfMass()
get the center of mass of the region
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java.util.Map<Molecule,java.lang.Integer> |
getMolecularMap()
get the molecularMap in the region
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java.util.Set<Molecule> |
getMolecules()
get molecules in the region
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Region.Name |
getName()
get the name of the region
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java.lang.Integer |
getSize()
get the number of molecules in the region
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void |
setCenterOfMassComputer(Computer<Coord,java.util.Set<Molecule>> centerOfMassComputer)
set the value of this.centerOfMassComputer
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void |
setMolecularMap(java.util.Map<Molecule,java.lang.Integer> molecularMap)
set the molecularMap in the region
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void |
setName(Region.Name name)
set the name of the region
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public SimpleRegion()
public SimpleRegion(Region.Name name)
name
- Region.Name
public java.lang.Integer getSize()
public java.util.Set<Molecule> getMolecules()
getMolecules
in interface Region
Molecule
public void addMolecule(Molecule molecule, java.lang.Integer index)
addMolecule
in interface Region
molecule
- - the keyindex
- - the valuepublic void setMolecularMap(java.util.Map<Molecule,java.lang.Integer> molecularMap)
setMolecularMap
in interface Region
molecularMap
- - Molecule as key, Integer as valuepublic java.util.Map<Molecule,java.lang.Integer> getMolecularMap()
getMolecularMap
in interface Region
Map
Molecule as key, Integer as
valuepublic Region.Name getName()
getName
in interface Region
Region.Name
public void setName(Region.Name name)
setName
in interface Region
name
- Region.Name
public void addAll(java.util.Map<Molecule,java.lang.Integer> map)
public boolean containsAll(java.util.Set<Molecule> molecules)
containsAll
in interface Region
molecules
- - a Set of Moleculespublic java.util.List<Atom> getAtoms()
public Coord getCenterOfMass()
getCenterOfMass
in interface Region
Coord
public void changeMolecularId()
changeMolecularId
in interface Region
public void changeMolecularId(Region.Name name)
changeMolecularId
in interface Region
name
- -Region.Name