public class Atom extends P3 implements java.lang.Cloneable
Modifier and Type | Field and Description |
---|---|
char |
alternateLocationID |
float[] |
anisoBorU |
java.lang.String |
atomName |
int |
atomSerial |
int |
atomSetIndex |
int |
atomSite |
float |
bfactor |
BS |
bsSymmetry |
int |
chainID |
private static int[] |
elementCharMasks
Bits which indicate whether or not an element symbol is valid.
|
short |
elementNumber |
java.lang.String |
elementSymbol |
int |
formalCharge |
java.lang.String |
group3 |
boolean |
ignoreSymmetry |
int |
index |
char |
insertionCode |
boolean |
isHetero |
int |
occupancy |
float |
partialCharge |
float |
radius |
int |
sequenceNumber |
JmolList<Tensor> |
tensors |
float |
vectorX |
float |
vectorY |
float |
vectorZ |
Constructor and Description |
---|
Atom() |
Modifier and Type | Method and Description |
---|---|
void |
addTensor(Tensor tensor,
java.lang.String type) |
Atom |
getClone() |
java.lang.String |
getElementSymbol() |
static boolean |
isValidElementSymbol(char ch) |
static boolean |
isValidElementSymbol2(char chFirst,
char chSecond) |
static boolean |
isValidElementSymbolNoCaseSecondChar(java.lang.String str) |
static boolean |
isValidElementSymbolNoCaseSecondChar2(char chFirst,
char chSecond) |
static boolean |
isValidFirstSymbolChar(char ch) |
void |
scaleVector(float vibScale) |
distance, distanceSquared, new3, newP
public int atomSetIndex
public int index
public BS bsSymmetry
public int atomSite
public java.lang.String elementSymbol
public short elementNumber
public java.lang.String atomName
public int formalCharge
public float partialCharge
public float vectorX
public float vectorY
public float vectorZ
public float bfactor
public int occupancy
public float radius
public boolean isHetero
public int atomSerial
public int chainID
public char alternateLocationID
public java.lang.String group3
public int sequenceNumber
public char insertionCode
public float[] anisoBorU
public boolean ignoreSymmetry
private static final int[] elementCharMasks
If the high bit is set, then it is valid as a standalone char. otherwise, bits 0-25 say whether or not is valid when followed by the letters a-z.
public void addTensor(Tensor tensor, java.lang.String type)
public Atom getClone() throws java.lang.CloneNotSupportedException
java.lang.CloneNotSupportedException
public java.lang.String getElementSymbol()
public static boolean isValidElementSymbol(char ch)
public static boolean isValidElementSymbol2(char chFirst, char chSecond)
public static boolean isValidElementSymbolNoCaseSecondChar2(char chFirst, char chSecond)
public static boolean isValidFirstSymbolChar(char ch)
public static boolean isValidElementSymbolNoCaseSecondChar(java.lang.String str)
public void scaleVector(float vibScale)