org.jmol.adapter.smarter
public class Atom extends Point3f implements Cloneable
Modifier and Type | Field and Description |
---|---|
char |
alternateLocationID |
(package private) float[] |
anisoBorU |
int |
atomIndex |
String |
atomName |
int |
atomSerial |
int |
atomSetIndex |
int |
atomSite |
float |
bfactor |
BitSet |
bsSymmetry |
char |
chainID |
(package private) static int[] |
elementCharMasks
Bits which indicate whether or not an element symbol is valid.
|
short |
elementNumber |
String |
elementSymbol |
Object[] |
ellipsoid |
int |
formalCharge |
String |
group3 |
boolean |
ignoreSymmetry |
char |
insertionCode |
boolean |
isHetero |
int |
occupancy |
float |
partialCharge |
float |
radius |
int |
sequenceNumber |
(package private) float |
vectorX |
(package private) float |
vectorY |
(package private) float |
vectorZ |
Constructor and Description |
---|
Atom() |
Modifier and Type | Method and Description |
---|---|
Atom |
cloneAtom() |
String |
getElementSymbol() |
static boolean |
isValidElementSymbol(char ch) |
static boolean |
isValidElementSymbol(char chFirst,
char chSecond) |
static boolean |
isValidElementSymbolNoCaseSecondChar(char chFirst,
char chSecond) |
static boolean |
isValidElementSymbolNoCaseSecondChar(String str) |
static boolean |
isValidFirstSymbolChar(char ch) |
distance, distanceL1, distanceLinf, distanceSquared, project
absolute, absolute, add, add, clamp, clamp, clampMax, clampMax, clampMin, clampMin, clone, epsilonEquals, equals, equals, get, get, getX, getY, getZ, hashCode, interpolate, interpolate, negate, negate, scale, scale, scaleAdd, scaleAdd, set, set, set, set, setX, setY, setZ, sub, sub, toString
public int atomSetIndex
public int atomIndex
public BitSet bsSymmetry
public int atomSite
public String elementSymbol
public short elementNumber
public String atomName
public int formalCharge
public float partialCharge
float vectorX
float vectorY
float vectorZ
public float bfactor
public int occupancy
public float radius
public boolean isHetero
public int atomSerial
public char chainID
public char alternateLocationID
public String group3
public int sequenceNumber
public char insertionCode
float[] anisoBorU
public Object[] ellipsoid
public boolean ignoreSymmetry
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 String getElementSymbol()
public static boolean isValidElementSymbol(char ch)
public static boolean isValidElementSymbol(char chFirst, char chSecond)
public static boolean isValidElementSymbolNoCaseSecondChar(char chFirst, char chSecond)
public static boolean isValidFirstSymbolChar(char ch)
public static boolean isValidElementSymbolNoCaseSecondChar(String str)