Revision: 20729
http://sourceforge.net/p/jmol/code/20729
Author: hansonr
Date: 2015-08-23 04:07:30 +0000 (Sun, 23 Aug 2015)
Log Message:
-----------
Jmol-NBO help to text files rather than hard-coded Java. -- Config, Run, and
View here.
Modified Paths:
--------------
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialogConfig.java
Added Paths:
-----------
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/config.txt
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/run.txt
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/view.txt
Modified: branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
===================================================================
--- branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
2015-08-23 03:20:16 UTC (rev 20728)
+++ branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
2015-08-23 04:07:30 UTC (rev 20729)
@@ -33,6 +33,8 @@
import java.awt.event.ComponentListener;
import java.awt.event.WindowAdapter;
import java.awt.event.WindowEvent;
+import java.util.Hashtable;
+import java.util.Map;
import javax.swing.Box;
import javax.swing.BoxLayout;
@@ -384,17 +386,17 @@
help.setSize(new Dimension(400, 400));
switch (dialogMode) {
case DIALOG_CONFIG:
- p.setText(helpConfig);
+ p.setText(getHelp("config"));
break;
case DIALOG_MODEL:
if (!helpDialogM(p, key))
return;
break;
case DIALOG_RUN:
- p.setText(runHelp);
+ p.setText(getHelp("run"));
break;
case DIALOG_VIEW:
- p.setText(viewHelp);
+ p.setText(getHelp("view"));
break;
case DIALOG_SEARCH:
p.setText(searchHelp);
@@ -405,7 +407,7 @@
help.setVisible(true);
}
- public void addLine(int type, String line) {
+ public void addLine(int type, String line) {
switch (type) {
case DIALOG_CONFIG:
reqInfo = line;
Modified:
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialogConfig.java
===================================================================
--- branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialogConfig.java
2015-08-23 03:20:16 UTC (rev 20728)
+++ branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/NBODialogConfig.java
2015-08-23 04:07:30 UTC (rev 20729)
@@ -34,6 +34,10 @@
import java.awt.event.ActionEvent;
import java.awt.event.ActionListener;
import java.io.File;
+import java.io.IOException;
+import java.util.HashMap;
+import java.util.Hashtable;
+import java.util.Map;
import javajs.util.SB;
@@ -53,6 +57,7 @@
import org.jmol.i18n.GT;
import org.jmol.viewer.Viewer;
+import org.openscience.jmol.app.jmolpanel.GuiMap;
import org.openscience.jmol.app.jmolpanel.JmolPanel;
abstract class NBODialogConfig extends JDialog {
@@ -461,21 +466,8 @@
nboService.runScriptQueued("zap");
}
- protected static final String helpConfig = " NBOPro
v.6\n"
- +"The NBOPro6 program suite combines four distinct modules:\n"
- +" (1) NBOModel (molecular design editor)\n"
- +" (2) NBORun (GenNBO)\n"
- +" (3) NBOView (orbital viewer)\n"
- +" (4) NBOSearch (data miner)\n"
- +"The modules have distinct but interrelated NBO capabilities.\n"
- +"Each module has its own commands, syntax, and HELP screens.\n"
- +"\n"
- +"To get started, you must first locate your NBOServe executable"
- +"in the CONFIG menu and press connect. Once successfully connected"
- +"the other modules will be available and you will not have to revisit" +
- "the CONFIG menu as long as the location of the NBOServe executable " +
- "is not changed. All modules support the raw"
- +"keyboard input from NBOPro6 by typing commands into the NBO Input
line";
+ protected static String helpConfig;
+
protected static final String helpModel ="NBOModel COMMAND SYNTAX\n"
+" \n"
+"Command verbs are case-insensitive and can"
@@ -813,38 +805,6 @@
+" 3CHB 1 2 :NH3 (hyperbonded N-W-N triad)\n"
+" SHOW H2O (water monomer)\n"
+" 3CHB 2 3 :OH2 (H-bonded water dimer)\n";
- protected final static String runHelp = " NBORun: GENERAL
PROGRAM USAGE\n"
- +"By default, the NBORun module performs NBO analysis of the"
- +"selected wavefunction archive (.47) file 'JOB.47' and"
- +"writes the output to a corresponding 'JOB.NBO' file (as"
- +"though the 'GenNBO < JOB.47 > JOB.NBO' command were given)."
- +"[Alternatively, NBORun can calculate the wavefunction with"
- +"a chosen ESS program, specified by a corresponding 'ESS.BAT'"
- +"batch file and 'JOB.ESS' input file (as though the command"
- +"'ESS JOB.ESS' were given). This allows you to perform the"
- +"wavefunction calculation and NBO analysis in a single step.]\n"
- +" \n"
- +"You will be prompted with the list of JOB.47 files as found"
- +"in the directory last used by Jmol-NBO. After a particular JOB is
selected,"
- +"the program will display the current list of $NBO keyword"
- +"options and allow you to insert additional options, if desired."
- +"When notified that the job is finished processing the 'JOB.NBO' output
becomes available for"
- +"NBOView orbital plotting (if the PLOT keyword was included)"
- +"or NBOSearch data-mining.\n";
- protected final static String viewHelp = " NBOView: GENERAL
PROGRAM USAGE\n"
- +"NBOView program usage begins with selection of a JOB from "
- +"available PLOT (.31-.41, .46) files on the current directory. "
- +"Use the NBORun module to generate PLOT output files from "
- +"any available archive (.47) file in the directory. \n\nAfter "
- +"selecting a basis set and orbital, press GO to view either "
- +"a 1D profile or a 2D contour, with the vector/plane defined by the
atoms highlighted on the model. "
- +"Selected atoms can be changed by clicking on the model. "
- +"To view a 3D bitmap image, select one of the 9 items in storage "
- +"and press the '3D' button under display, raytracing may take some "
- +"time so you may need to be patient "
- +"The program presents many possible options to alter details "
- +"of the view/camera model. If uncertain, the default values shown "
- +"in the settings will be used.";
protected final static String searchHelp = " NBOSearch: COMMAND
SYNTAX AND PROGRAM OVERVIEW\n"
+"PROGRAM OVERVIEW:\n"
+"Follow menu prompts through the decision tree to the "
@@ -899,4 +859,27 @@
static final int DIALOG_LIST = -1; // used only for addLine
+ private final static Map<String, String> htHelp = new HashMap<String,
String>();
+
+ /**
+ * Retrieve and cache a help string.
+ *
+ * @param key
+ * @return resource string or a message that it cannot be found
+ *
+ */
+ synchronized protected String getHelp(String key) {
+ String help = htHelp.get(key);
+ if (help == null) {
+ try {
+ String fname = "org/openscience/jmol/app/nbo/help/" + key + ".txt";
+ help = GuiMap.getResourceString(this, fname);
+ } catch (IOException e) {
+ help = "<resource not found>";
+ }
+ htHelp.put(key, help);
+ }
+ return help;
+ }
+
}
Added: branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/config.txt
===================================================================
--- branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/config.txt
(rev 0)
+++ branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/config.txt
2015-08-23 04:07:30 UTC (rev 20729)
@@ -0,0 +1,13 @@
+NBOPro v.6
+
+The NBOPro6 program suite combines four distinct modules:
+
+ (1) NBOModel (molecular design editor)
+ (2) NBORun (GenNBO)
+ (3) NBOView (orbital viewer)
+ (4) NBOSearch (data miner)
+
+The modules have distinct but interrelated NBO capabilities.
+Each module has its own commands, syntax, and HELP screens.
+
+To get started, you must first locate your NBOServe executable in the CONFIG
menu and press Connect. Once successfully connected, the other modules will be
available, and you will not have to revisit the CONFIG menu as long as the
location of the NBOServe executable is not changed. All modules support the
raw keyboard input from NBOPro6 by typing commands into the NBO Input line at
the bottom of the dialog.
\ No newline at end of file
Property changes on:
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/config.txt
___________________________________________________________________
Added: svn:mime-type
## -0,0 +1 ##
+text/plain
\ No newline at end of property
Added: branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/run.txt
===================================================================
--- branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/run.txt
(rev 0)
+++ branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/run.txt
2015-08-23 04:07:30 UTC (rev 20729)
@@ -0,0 +1,9 @@
+NBORun: GENERAL PROGRAM USAGE
+
+By default, the NBORun module performs NBO analysis of the selected
wavefunction archive (.47) file 'JOB.47' and writes the output to a
corresponding 'JOB.NBO' file (as though the 'GenNBO < JOB.47 > JOB.NBO' command
were given).
+
+Alternatively, NBORun can calculate the wavefunction with a chosen ESS
program, specified by a corresponding 'ESS.BAT' batch file and 'JOB.ESS' input
file (as though the command 'ESS JOB.ESS' were given). This allows you to
perform the wavefunction calculation and NBO analysis in a single step.
+
+You will be prompted with the list of JOB.47 files as found in the directory
last used by Jmol-NBO. After a particular job is selected, the program will
display the current list of $NBO keyword options and allow you to insert
additional options, if desired.
+
+When notified that the job is finished processing the 'JOB.NBO' output becomes
available for NBOView orbital plotting (if the PLOT keyword was included) or
NBOSearch data-mining.
Property changes on:
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/run.txt
___________________________________________________________________
Added: svn:mime-type
## -0,0 +1 ##
+text/plain
\ No newline at end of property
Added: branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/view.txt
===================================================================
--- branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/view.txt
(rev 0)
+++ branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/view.txt
2015-08-23 04:07:30 UTC (rev 20729)
@@ -0,0 +1,9 @@
+NBOView: GENERAL PROGRAM USAGE
+
+NBOView program usage begins with selection of a JOB from available PLOT
(.31-.41, .46) files on the current directory. Use the NBORun module to
generate PLOT output files from any available archive (.47) file in the
directory.
+
+After selecting a basis set and orbital, press GO to view either a 1D profile
or a 2D contour, with the vector/plane defined by the atoms highlighted on the
model.
+
+Selected atoms can be changed by clicking on the model. To view a 3D bitmap
image, select one of the nine items in storage and press the '3D' button under
display. Raytracing may take some time, so you may need to be patient.
+
+The program presents many possible options for you to alter details of the
view/camera model. If uncertain, the default values shown in the settings can
be used.
Property changes on:
branches/nbo/Jmol/src/org/openscience/jmol/app/nbo/help/view.txt
___________________________________________________________________
Added: svn:mime-type
## -0,0 +1 ##
+text/plain
\ No newline at end of property
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