[Jmol-commits] SF.net SVN: jmol:[20508] branches/nbo/Jmol/src/org

[<ha...@us...>]

Revision: 20508
          http://sourceforge.net/p/jmol/code/20508
Author:   hansonr
Date:     2015-05-19 00:52:27 +0000 (Tue, 19 May 2015)
Log Message:
-----------
allows setting working directory; defaults to current Jmol working directory + /nbo

Modified Paths:
--------------
    branches/nbo/Jmol/src/org/jmol/viewer/Viewer.java
    branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
    branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java

Modified: branches/nbo/Jmol/src/org/jmol/viewer/Viewer.java
===================================================================
--- branches/nbo/Jmol/src/org/jmol/viewer/Viewer.java	2015-05-19 00:14:46 UTC (rev 20507)
+++ branches/nbo/Jmol/src/org/jmol/viewer/Viewer.java	2015-05-19 00:52:27 UTC (rev 20508)
@@ -1435,7 +1435,7 @@
   // delegated to FileManager
   // ///////////////////////////////////////////////////////////////
 
-  String getDefaultDirectory() {
+  public String getDefaultDirectory() {
     return g.defaultDirectory;
   }
 

Modified: branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
===================================================================
--- branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java	2015-05-19 00:14:46 UTC (rev 20507)
+++ branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java	2015-05-19 00:52:27 UTC (rev 20508)
@@ -455,9 +455,11 @@
       @Override
       public void actionPerformed(ActionEvent e) {
         Object item = use.getSelectedItem();
+        // Java 1.6 doesn't allow switch(String)
         if (item.equals("Formula")) {
           try {
-            writeToFile("CMD show " + folder.getText().toUpperCase());
+            // no toUpperCase() here -- chemical elements include Cl, Na, etc.
+            writeToFile("CMD show " + folder.getText());
             rawCmd("<" + cmdFile + ">");
             s2.setVisible(true);
           } catch (IOException e1) {

Modified: branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
===================================================================
--- branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java	2015-05-19 00:14:46 UTC (rev 20507)
+++ branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java	2015-05-19 00:52:27 UTC (rev 20508)
@@ -90,13 +90,33 @@
     java.util.Properties props = JmolPanel.historyFile.getProperties();
     setServerPath(props.getProperty("nboServerPath",
         System.getProperty("user.home") + "/NBOServe"));
+    setWorkingPath(null);
   }
 
+  /**
+   * Set path to NBOServe.exe
+   * 
+   * @param path
+   */
   private void setServerPath(String path) {
-    serverPath = path;
-    workingPath = path.substring(0, path.lastIndexOf(File.separator));
+     serverPath = path;
   }
 
+  /**
+   * Set path for all file saving 
+   * 
+   * @param path the desired path, or null to indicate to use the current Jmol directory path + /nbo
+   */
+  void setWorkingPath(String path) {
+    workingPath =  (path == null ? vwr.getDefaultDirectory() + "/nbo" : path);
+    File dir = new File(workingPath);
+    if (!dir.exists())
+      dir.mkdir();
+    System.out.println("NBOService setting directory to " + dir);
+//    workingPath = path.substring(0, path.lastIndexOf(File.separator));
+
+  }
+
   public boolean processRequest(Map<String, Object> info) {
     boolean ok = false;
     boolean nboSync = (info.get("sync") == Boolean.TRUE);

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