org.jmol.adapter.smarter
public class Atom extends Point3f implements Cloneable
| Field Summary | |
|---|---|
| char | alternateLocationID |
| float[] | anisoBorU |
| int | atomIndex |
| String | atomName |
| int | atomSerial |
| int | atomSetIndex |
| int | atomSite |
| float | bfactor |
| BitSet | bsSymmetry |
| char | chainID |
| static int[] | elementCharMasks
Bits which indicate whether or not an element symbol is valid.
|
| short | elementNumber |
| String | elementSymbol |
| Object[] | ellipsoid |
| int | formalCharge |
| String | group3 |
| char | insertionCode |
| boolean | isHetero |
| int | occupancy |
| float | partialCharge |
| float | radius |
| int | sequenceNumber |
| float | vectorX |
| float | vectorY |
| float | vectorZ |
| Constructor Summary | |
|---|---|
| Atom() | |
| Method Summary | |
|---|---|
| void | addVibrationVector(float vectorX, float vectorY, float vectorZ) |
| 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) |
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.