public class SpeciesParacetamol extends Species
Modifier and Type | Field and Description |
---|---|
protected AtomTypeLeaf |
cType |
static double[] |
Echarge |
protected AtomTypeLeaf |
hpType |
protected AtomTypeLeaf |
hyType |
static int[] |
indexC |
static int[] |
indexH |
static int[] |
indexHp |
static int[] |
indexN |
static int[] |
indexO |
protected boolean |
isDynamic |
protected AtomTypeLeaf |
nType |
protected AtomTypeLeaf |
oType |
protected ISpace |
space |
childTypes, conformation, index
Constructor and Description |
---|
SpeciesParacetamol(ISpace _space,
boolean isDynamic) |
Modifier and Type | Method and Description |
---|---|
IAtomType |
getCType() |
IAtomType |
getHpType() |
IAtomType |
getHyType() |
IAtomType |
getNType() |
int |
getNumLeafAtoms() |
IAtomType |
getOType() |
protected IAtom |
makeLeafAtom(IAtomType leafType) |
IMolecule |
makeMolecule()
Builds and returns the IMolecule of this ISpecies.
|
addChildType, getAtomType, getAtomTypeCount, getConformation, getIndex, getSpecies, initializeConformation, removeChildType, setConformation, setIndex
public static final int[] indexC
public static final int[] indexH
public static final int[] indexHp
public static final int[] indexO
public static final int[] indexN
public static final double[] Echarge
protected final ISpace space
protected final boolean isDynamic
protected final AtomTypeLeaf cType
protected final AtomTypeLeaf oType
protected final AtomTypeLeaf nType
protected final AtomTypeLeaf hpType
protected final AtomTypeLeaf hyType
public SpeciesParacetamol(ISpace _space, boolean isDynamic)
public IMolecule makeMolecule()
etomica.api.ISpecies
public int getNumLeafAtoms()
public IAtomType getCType()
public IAtomType getOType()
public IAtomType getNType()
public IAtomType getHpType()
public IAtomType getHyType()