org.jmol.adapter.smarter
public class Atom extends Point3f implements Cloneable
Field Summary | |
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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.
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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 | |
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Atom() |
Method Summary | |
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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.