Revision: 20350
http://sourceforge.net/p/jmol/code/20350
Author: hansonr
Date: 2015-03-01 16:54:40 +0000 (Sun, 01 Mar 2015)
Log Message:
-----------
NBO tweaks
Modified Paths:
--------------
trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
Modified: trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java 2015-03-01
15:58:44 UTC (rev 20349)
+++ trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java 2015-03-01
16:54:40 UTC (rev 20350)
@@ -167,39 +167,45 @@
* @param s
*/
private void sendToNBO(int mode, String s) {
- s = (mode == RAW ? s + "\n" : mode + "\n" + s + "\nexit" + (nboSync ?
"\nexit" : ""));
+ s = (mode == RAW ? s : mode + "\n" + s + "\nexit" + (nboSync ? "\nexit" :
""));
sendCmd(s);
}
- private void sendCmd(String s) {
- System.out.println("sending: " + s + "\n");
+ private void sendCmd(String s) {
+ vwr.log("sending:\n>>>\n" + s + "\n<<<");
stdinWriter.println(s);
stdinWriter.flush();
}
public void nboReport(String line) {
- System.out.println("receiving: " + line);
- if (nboDialog != null)
- nboDialog.nboReport(line);
+ vwr.log("receiving: " + line);
if (line.startsWith("DATA ")) {
if (line.startsWith("DATA \"model")) {
nboModel = PT.getQuotedStringAt(line, 0);
line += " NBO " + nboModel;
}
inData = (line.indexOf("exit") < 0);
+ if (inData)
+ sbRet.append(line + "\n");
+ return;
}
if (inData) {
sbRet.append(line + "\n");
+ if (line.indexOf("END") >= 0) {
+ inData = false;
+ String s = sbRet.toString();
+ sbRet.setLength(0);
+ String m = "\"" + nboModel + "\"";
+ nboModel = "\0";
+ if (!nboSync && line.indexOf(m) >= 0) {
+ vwr.log("running Jmol script:\n" + s);
+ vwr.script(s);
+ }
+ return;
+ }
}
- if (inData && line.indexOf("END") >= 0) {
- inData = false;
- String s = sbRet.toString();
- sbRet.setLength(0);
- String m = "\"" + nboModel + "\"";
- nboModel = "\0";
- if (!nboSync && line.indexOf(m) >= 0)
- vwr.script(s);
- }
+ if (nboDialog != null)
+ nboDialog.nboReport(line);
}
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