Revision: 21501
http://sourceforge.net/p/jmol/code/21501
Author: hansonr
Date: 2017-04-08 21:30:53 +0000 (Sat, 08 Apr 2017)
Log Message:
-----------
Jmol.___JmolVersion="14.13.1"
new feature: set labelfor {atomset} "value"
-- allows setting of label with out changing current selection
-- uses same syntax as LABEL command after {atomset}
-- for example:
set labelfor @atoms @myLabel
set labelfor {atomno <= 3} @{["a","b","c"]}
set labelfor {_C && chirality != ""} "%[atomname] %[chirality]"
bug fix: {*}.chirality with triple bonds fails
bug fix: dotted line has extra dot: measure ID m @1 @4 radius 0.1
bug fix: NBO H-BOND and MODEL focus issues
Modified Paths:
--------------
trunk/Jmol/src/org/gennbo/NBODialog.java
trunk/Jmol/src/org/gennbo/NBOModel.java
trunk/Jmol/src/org/jmol/render/FontLineShapeRenderer.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/gennbo/NBODialog.java
===================================================================
--- trunk/Jmol/src/org/gennbo/NBODialog.java 2017-04-08 20:22:30 UTC (rev
21500)
+++ trunk/Jmol/src/org/gennbo/NBODialog.java 2017-04-08 21:30:53 UTC (rev
21501)
@@ -1109,8 +1109,6 @@
}
protected void runScriptQueued(String script) {
- if (script.indexOf("easure") >= 0)
- System.out.println("TESTING NBOD");
logInfo("_$ " + PT.rep(script, "\n", "<br>"), Logger.LEVEL_DEBUG);
vwr.script(script);
}
Modified: trunk/Jmol/src/org/gennbo/NBOModel.java
===================================================================
--- trunk/Jmol/src/org/gennbo/NBOModel.java 2017-04-08 20:22:30 UTC (rev
21500)
+++ trunk/Jmol/src/org/gennbo/NBOModel.java 2017-04-08 21:30:53 UTC (rev
21501)
@@ -458,7 +458,7 @@
});
atomNumBoxes[i].addFocusListener(new FocusListener() {
- @Override
+ @Override
public void focusGained(FocusEvent arg0) {
doAtomNumBoxFocus(true, num);
}
@@ -471,7 +471,7 @@
atomNumBoxes[i].addActionListener(new ActionListener() {
@Override
public void actionPerformed(ActionEvent e) {
- doSetAtomBoxesFromSelection(null);
+ doSetAtomBoxesFromSelection(null, false);
}
});
}
@@ -534,7 +534,7 @@
innerLinkOptionBox = Box.createHorizontalBox();
radLinkBond = new JRadioButton("Bond");
radLinkBond.setSelected(true);
- JRadioButton radLinkDotted = new JRadioButton("Measure");
+ JRadioButton radLinkDotted = new JRadioButton("Dotted");
innerLinkOptionBox.add(radLinkBond);
innerLinkOptionBox.add(radLinkDotted);
@@ -572,12 +572,13 @@
}
protected void doAtomNumBoxFocus(boolean isGained, int num) {
+ System.out.println("atomnumbfocus" + isGained + " " +num);
if (!isGained) {
int atnum = PT.parseInt(atomNumBoxes[num].getText());
if (atnum > vwr.ms.ac || atnum < 1) {
atomNumBoxes[num].setText("");
} else {
- doSetAtomBoxesFromSelection(null);
+ doSetAtomBoxesFromSelection(null, false);
}
} else if (num == boxCount - 1) {
jbApply.setEnabled(modelEditGetSelected().length() > 0);
@@ -592,13 +593,14 @@
postActionToNBO(actionID);
}
- protected void updateSelected(boolean doPost) {
+ protected void updateSelected(boolean doPost, boolean setFocus) {
String selected = modelEditGetSelected();
String script = "measure delete;";
int cnt = selected.split(" ").length;
editValueTf.setEnabled(cnt > 0);
editValueTf.setText("");
- editValueTf.requestFocus();
+ if (editValueTf.isVisible())
+ editValueTf.requestFocus();
switch (boxCount) {
case BOX_COUNT_4:
String desc = "";
@@ -628,7 +630,7 @@
jbApply.setEnabled(true);
if (editValueTf.isVisible())
editValueTf.requestFocus();
- else
+ else if (setFocus)
atomNumBoxes[1].requestFocus();
}
break;
@@ -663,6 +665,8 @@
if (actionID == MODEL_ACTION_LINK) {
script = "";
}
+
+
dialog.runScriptQueued(script);
editValueTf.setText("");
editValueTf.setEnabled(selected.length() > 0);
@@ -838,6 +842,7 @@
clearSelected(true);
if (action != MODEL_ACTION_LINK) {
measures = "";
+ innerLinkOptionBox.setVisible(false);
}
switch (action) {
case MODEL_ACTION_MUTATE:
@@ -949,7 +954,7 @@
jbApply.setEnabled(false);
}
if (andShow)
- updateSelected(false);
+ updateSelected(false, true);
}
/**
@@ -1223,7 +1228,7 @@
}
selected += " " + at1;
}
- doSetAtomBoxesFromSelection(selected);
+ doSetAtomBoxesFromSelection(selected, true);
} else {
//Bond selection -- just break that into two atom picks
if (boxCount != BOX_COUNT_2)
@@ -1234,7 +1239,7 @@
}
}
- protected void doSetAtomBoxesFromSelection(String selected) {
+ protected void doSetAtomBoxesFromSelection(String selected, boolean
setFocus) {
if (selected == null)
selected = modelEditGetSelected();
String[] split = PT.getTokens(selected);
@@ -1243,7 +1248,7 @@
atomNumBoxes[i].setText(i >= split.length ? "" : " " + split[i]);
//System.out.println("set i=" + i + " " + atomNumBoxes[i].getText());
}
- updateSelected(false);
+ updateSelected(false, setFocus);
}
@@ -1284,7 +1289,7 @@
} // else if (actionID == MODEL_ACTION_REBOND && serverMode !=
MODEL_ACTION_SYMMETRY)
//doGetSymmetry();
if (showSelectedOnFileLoad) {
- updateSelected(false);
+ updateSelected(false, true);
showSelectedOnFileLoad = false;
} else {
dialog.runScriptQueued("select none; select on;refresh");
Modified: trunk/Jmol/src/org/jmol/render/FontLineShapeRenderer.java
===================================================================
--- trunk/Jmol/src/org/jmol/render/FontLineShapeRenderer.java 2017-04-08
20:22:30 UTC (rev 21500)
+++ trunk/Jmol/src/org/jmol/render/FontLineShapeRenderer.java 2017-04-08
21:30:53 UTC (rev 21501)
@@ -307,7 +307,7 @@
float d2 = (dx * dx + dy * dy) / (width * width);
if (isNdots) {
f = (float) (Math.sqrt(d2) / 1.5);
- n = (int) f + 3;
+ n = (int) f + 2;
} else if (d2 < 8) {
array = twodots;
} else if (d2 < 32) {
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-04-08 20:22:30 UTC
(rev 21500)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-04-08 21:30:53 UTC
(rev 21501)
@@ -61,7 +61,10 @@
set labelfor {_C && chirality != ""} "%[atomname] %[chirality]"
bug fix: {*}.chirality with triple bonds fails
+bug fix: dotted line has extra dot: measure ID m @1 @4 radius 0.1
+bug fix: NBO H-BOND and MODEL focus issues
+
JmolVersion="14.12.1"
bug fix: NBO update
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