public class Atom
extends javajs.util.P3
implements java.lang.Cloneable
Modifier and Type | Field and Description |
---|---|
char |
altLoc |
float[] |
anisoBorU |
java.lang.String |
atomName |
int |
atomSerial |
int |
atomSetIndex |
int |
atomSite |
float |
bfactor |
BS |
bsSymmetry |
int |
chainID |
private static int[] |
elementCharMasks |
short |
elementNumber |
java.lang.String |
elementSymbol |
float |
foccupancy |
int |
formalCharge |
java.lang.String |
group3 |
boolean |
ignoreSymmetry |
int |
index |
char |
insertionCode |
boolean |
isHetero |
float |
partialCharge |
float |
radius |
int |
sequenceNumber |
javajs.util.List<java.lang.Object> |
tensors |
javajs.util.V3 |
vib |
Constructor and Description |
---|
Atom() |
Modifier and Type | Method and Description |
---|---|
Tensor |
addTensor(Tensor tensor,
java.lang.String type,
boolean reset) |
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) |
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 javajs.util.V3 vib
public float bfactor
public float foccupancy
public float radius
public boolean isHetero
public int atomSerial
public int chainID
public char altLoc
public java.lang.String group3
public int sequenceNumber
public char insertionCode
public float[] anisoBorU
public javajs.util.List<java.lang.Object> tensors
public boolean ignoreSymmetry
private static final int[] elementCharMasks
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)