Field Detail

• MODE_ERROR

  static final int MODE_ERROR

  See Also:

  Constant Field Values

• MODE_RAW

  static final int MODE_RAW

  See Also:

  Constant Field Values

• MODE_MODEL

  static final int MODE_MODEL

  See Also:

  Constant Field Values

• MODE_RUN

  static final int MODE_RUN

  See Also:

  Constant Field Values

• MODE_VIEW

  static final int MODE_VIEW

  See Also:

  Constant Field Values

• MODE_SEARCH

  static final int MODE_SEARCH

  See Also:

  Constant Field Values

• MODE_VIEW_LIST

  static final int MODE_VIEW_LIST

  See Also:

  Constant Field Values

• MODE_SEARCH_VALUE

  static final int MODE_SEARCH_VALUE

  See Also:

  Constant Field Values

• MODE_SEARCH_LIST

  static final int MODE_SEARCH_LIST

  See Also:

  Constant Field Values

• MODE_SEARCH_SELECT

  static final int MODE_SEARCH_SELECT

  See Also:

  Constant Field Values

• MODE_IMAGE

  static final int MODE_IMAGE

  See Also:

  Constant Field Values

• MODE_ERR

  private static final int MODE_ERR

  See Also:

  Constant Field Values

• serverMode

  private int serverMode

• vwr

  protected Viewer vwr

• nboDialog

  NBODialog nboDialog

• nboServer

  protected java.lang.Process nboServer

• nboListener

  protected java.lang.Thread nboListener

• stdout

  private java.io.InputStream stdout

• nboReader

  protected java.io.BufferedReader nboReader

• stdinWriter

  private java.io.PrintWriter stdinWriter

• manager

  protected static NBOJobQueueManager manager

• sbRet

  private javajs.util.SB sbRet

• inData

  private boolean inData

• isWorking

  protected boolean isWorking

• serverPath

  java.lang.String serverPath

• serverDir

  java.lang.String serverDir

• workingPath

  java.lang.String workingPath

• nboSync

  private boolean nboSync

• nboModel

  private java.lang.String nboModel

• dialogMode

  protected int dialogMode

• lock

  private java.lang.Object lock

• jobCanceled

  public boolean jobCanceled

Constructor Detail

• NBOService

  public NBOService​(Viewer vwr)

  Manage communication between Jmol and NBOServer

  Parameters:

  vwr - The interacting display we are reproducing (source of view angle info etc)

Method Detail

• setServerPath

  private void setServerPath​(java.lang.String path)

  Set path to NBOServe.exe

  Parameters:

  path -

• setWorkingPath

  void setWorkingPath​(java.lang.String path)

  Set path for all file saving

  Parameters:

  path - the desired path, or null to indicate to use the current Jmol directory path + /nbo

• processRequest

  public boolean processRequest​(java.util.Map<java.lang.String,​java.lang.Object> info,
                                int mode)

• waitFor

  private boolean waitFor​(int mode)

• clearServerFile

  private boolean clearServerFile​(java.lang.String fname)

• sendToNBO

  private void sendToNBO​(int mode,
                         java.lang.String s)

  Parameters:

  mode -

  s -

• sendCmd

  private void sendCmd​(java.lang.String s)

• nboReport

  protected void nboReport​(java.lang.String line,
                           int dialogMode)

• fixNBOModel

  private java.lang.String fixNBOModel​(java.lang.String line)

  fixes DATA line to include a title

  Parameters:

  line -

  Returns:

  line or full data block

• startProcess

  java.lang.String startProcess​(boolean sync,
                                int mode)

• closeProcess

  void closeProcess()

• restart

  java.lang.String restart()

• restartIfNecessary

  public boolean restartIfNecessary()

• runScriptQueued

  void runScriptQueued​(java.lang.String script)

• runScriptNow

  java.lang.String runScriptNow​(java.lang.String script)

• evaluateJmol

  public SV evaluateJmol​(java.lang.String expr)

• evaluateJmolString

  public java.lang.String evaluateJmolString​(java.lang.String expr)

• getJmolFilename

  public java.lang.String getJmolFilename()

• rawCmdNew

  protected void rawCmdNew​(java.lang.String cmd,
                           javajs.util.SB data,
                           boolean doWait,
                           int dialogMode)

  The interface for ALL communication with NBOServe from NBODialog.

  Parameters:

  cmd -

  data -

  doWait -

  dialogMode -

• writeToFile

  void writeToFile​(java.lang.String s,
                   java.io.File file)
            throws java.io.IOException

  Throws:

  java.io.IOException

• getFileData

  java.lang.String getFileData​(java.lang.String fileName)

• queueJob

  public void queueJob​(java.lang.String name,
                       java.lang.String statusInfo,
                       java.lang.Runnable process)