Package jme

Class JMEmol

java.lang.Object
jme.JMEmol

public class JMEmol extends Object
  • Field Details

    • natoms

      public int natoms
    • nbonds

      public int nbonds
    • needRecentering

      public boolean needRecentering
    • RBOND

      public static final int RBOND
      See Also:
  • Constructor Details

  • Method Details

    • nextData

      public static String nextData(StringTokenizer st, String separator)
    • findSeparator

      public static String findSeparator(String molFile)
    • getAtomCount

      public int getAtomCount()
    • getBondCount

      public int getBondCount()
    • getX

      public double getX(int i)
    • getY

      public double getY(int i)
    • setAtomProperties

      public void setAtomProperties(double xx, double yy, int ahc, int aq)
    • getHydrogenCount

      public int getHydrogenCount(int i)
    • getCharge

      public int getCharge(int i)
    • getBondProperties

      public int[] getBondProperties(int i)
    • setBondProperties

      public void setBondProperties(int bp0, int bp1, int bp2, int bp3)
    • completeMolecule

      public void completeMolecule()
    • center

      public void center()
    • draw

      public void draw(Graphics g)
    • getMinMax

      protected void getMinMax()
    • shiftToXY

      public Dimension shiftToXY(double marginPixelsX, double marginPixelsY)
      shift to an origin and return a dimension
      Parameters:
      marginPixelsX -
      marginPixelsY -
      Returns:
      pixel dimension of framed model
    • setAtomColoring

      public void setAtomColoring(int atom, int n)
    • mark

      public void mark()
    • numberAtoms

      public void numberAtoms()
    • setLabel

      public void setLabel(int n, String s)
    • reactionPart

      public int reactionPart()
    • saveXY

      public double[][] saveXY()
    • restoreXY

      public void restoreXY(double[][] xy)