Class Atom

java.lang.Object
javajs.util.T3
javajs.util.P3
org.jmol.adapter.smarter.Atom
All Implemented Interfaces:
Serializable, Cloneable, JSONEncodable
public class Atom extends P3 implements Cloneable
See Also:

  • Field Details

    • atomSetIndex

      public int atomSetIndex

    • index

      public int index

    • bsSymmetry

      public BS bsSymmetry

    • atomSite

      public int atomSite

    • elementSymbol

      public String elementSymbol

    • elementNumber

      public short elementNumber

    • atomName

      public String atomName

    • formalCharge

      public int formalCharge

    • partialCharge

      public float partialCharge

    • vib

      public V3 vib

    • bfactor

      public float bfactor

    • foccupancy

      public float foccupancy

    • radius

      public float radius

    • isHetero

      public boolean isHetero

    • atomSerial

      public int atomSerial

    • chainID

      public int chainID

    • seqIdOrWyckoffCode

      public int seqIdOrWyckoffCode

    • bondingRadius

      public float bondingRadius

    • altLoc

      public char altLoc

    • group3

      public String group3

    • sequenceNumber

      public int sequenceNumber

    • insertionCode

      public char insertionCode

    • anisoBorU

      public float[] anisoBorU

    • tensors

      public Lst<Object> tensors

    • typeSymbol

      public String typeSymbol

    • part

      public int part

  • Constructor Details

    • Atom

      public Atom()

  • Method Details

    • addTensor

      public Tensor addTensor(Tensor tensor, String type, boolean reset)

    • getClone

      public Atom getClone()

    • getElementSymbol

      public String getElementSymbol()

    • isValidSym1

      public static boolean isValidSym1(char ch)
      Parameters:
      ch -
      Returns:
      true if matches a one-character symbol X

    • isValidSym2

      public static boolean isValidSym2(char ch1, char ch2)
      Parameters:
      ch1 -
      ch2 -
      Returns:
      true if matches a valid symbol Xy

    • isValidSymNoCase

      public static boolean isValidSymNoCase(char ch1, char ch2)
      Parameters:
      ch1 -
      ch2 -
      Returns:
      true if matches a two-character symbol, XX or Xx

    • copyTo

      public Atom copyTo(P3 pt, AtomSetCollection asc)

    • getMult

      public int getMult()