public class Atom extends javajs.util.P3 implements Cloneable
Modifier and Type | Field and Description |
---|---|
char |
altLoc |
float[] |
anisoBorU |
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 |
String |
elementSymbol |
float |
foccupancy |
int |
formalCharge |
String |
group3 |
boolean |
ignoreSymmetry |
int |
index |
char |
insertionCode |
boolean |
isHetero |
float |
partialCharge |
float |
radius |
int |
sequenceNumber |
javajs.util.List<Object> |
tensors |
javajs.util.V3 |
vib |
Constructor and Description |
---|
Atom() |
Modifier and Type | Method and Description |
---|---|
Tensor |
addTensor(Tensor tensor,
String type,
boolean reset) |
Atom |
getClone() |
String |
getElementSymbol() |
static boolean |
isValidElementSymbol(char ch) |
static boolean |
isValidElementSymbol2(char chFirst,
char chSecond) |
static boolean |
isValidElementSymbolNoCaseSecondChar(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 String elementSymbol
public short elementNumber
public 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 String group3
public int sequenceNumber
public char insertionCode
public float[] anisoBorU
public javajs.util.List<Object> tensors
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 Atom getClone() throws CloneNotSupportedException
CloneNotSupportedException
public 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(String str)
public void scaleVector(float vibScale)