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)