Class NoeTable

All Implemented Interfaces:
ImageObserver, MenuContainer, Serializable, Accessible, SwingConstants

public class NoeTable extends JTabbedPane
See Also:
  • Field Details

  • Constructor Details

    • NoeTable

      public NoeTable(NMR_JmolPanel nmrPanel, JFrame parentFrame)
      Constructor
      Parameters:
      parentFrame - the parent frame
      nmrPanel - the NMRViewer in which the animation will take place (?)
  • Method Details

    • centerDialog

      protected void centerDialog()
    • close

      public void close()
    • activate

      public void activate()
    • getRowCount

      public int getRowCount()
    • getMeasurementCountPlusIndices

      public int[] getMeasurementCountPlusIndices(int row)
    • updateTables

      public void updateTables()
    • getViewerRow

      protected int getViewerRow(int i)
    • addMol

      public void addMol()
    • setmolCDKuptodate

      public void setmolCDKuptodate(boolean value)
    • allocateLabelArray

      public void allocateLabelArray(int numAtoms)
    • allocateExpNoes

      public void allocateExpNoes(int numAtoms)
    • getExpNoe

      public String getExpNoe(int i, int j)
    • getExpDist

      public String getExpDist(int i, int j)
    • setExpNoe

      public void setExpNoe(String value, int i, int j)
    • setExpDist

      public void setExpDist(String value, int i, int j)
    • setLabelArray

      public void setLabelArray(String[] labelArray)
    • setCorrelationTime

      public void setCorrelationTime(double t)
      set the correlation time to be used in the NOE calculation
      Parameters:
      t - the correlation time in seconds. Typical value would be 80E-12.
    • setMixingTime

      public void setMixingTime(double t)
      sets the mixing time for the NOE experiment
      Parameters:
      t - the mixing time in seconds. Typically 0.5-1.5 seconds for small molecules
    • setNMRfreq

      public void setNMRfreq(double f)
      set the NMR frequency for the NOE simulation
      Parameters:
      f - the frequency in MHz
    • setCutoff

      public void setCutoff(double c)
      sets the cutoff distance beyond which atom interactions are not considered
      Parameters:
      c - the cutoff distance in Angstroms
    • setRhoStar

      public void setRhoStar(double c)
    • setNoesy

      public void setNoesy(boolean b)
    • setlrefSingle

      public void setlrefSingle(boolean l)
    • getCorrelationTime

      public double getCorrelationTime()
      get the correlation time in seconds
      Returns:
      the correlation time in seconds
    • getMixingTime

      public double getMixingTime()
      get the mixing time
      Returns:
      the mixing time in seconds
    • getNMRfreq

      public double getNMRfreq()
      gets the NMR frequency
      Returns:
      the NMR frequency in MHz
    • getCutoff

      public double getCutoff()
      get the cutoff distance
      Returns:
      the cutoff in Angstroms
    • getRhoStar

      public double getRhoStar()
    • getNoesy

      public boolean getNoesy()
    • setRedValue

      public void setRedValue(double value)
    • setYellowValue

      public void setYellowValue(double value)
    • getRedValue

      public double getRedValue()
    • getYellowValue

      public double getYellowValue()
    • getnoeNPrefIndices

      public int[] getnoeNPrefIndices()
    • setNoeNPrefIndices

      public void setNoeNPrefIndices(int[] noeNPrefIndices)
    • getNoeExprefValue

      public double getNoeExprefValue()
    • setNoeExprefValue

      public void setNoeExprefValue(double value)
    • setFrameDeltaDisplay

      public void setFrameDeltaDisplay(FrameDeltaDisplay frameDeltaDisplay)
    • getlexpNoes

      public boolean getlexpNoes()