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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