Revision: 21182
http://sourceforge.net/p/jmol/code/21182
Author: hansonr
Date: 2016-08-02 03:07:20 +0000 (Tue, 02 Aug 2016)
Log Message:
-----------
JmolVersion="14.7.1_2016.07.24"
bug fix: write x.pdb for multimodel file does not work.
bug fix: contact can fail when atoms without bonds are present
Modified Paths:
--------------
branches/v14_6/Jmol/src/org/jmol/awtjs2d/Mouse.java
branches/v14_6/Jmol/src/org/jmol/shapesurface/Contact.java
branches/v14_6/Jmol/src/org/jmol/viewer/Jmol.properties
trunk/Jmol/jars/jspecview.properties
trunk/Jmol/src/org/jmol/awtjs2d/Mouse.java
trunk/Jmol/src/org/jmol/shapesurface/Contact.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: branches/v14_6/Jmol/src/org/jmol/awtjs2d/Mouse.java
===================================================================
--- branches/v14_6/Jmol/src/org/jmol/awtjs2d/Mouse.java 2016-07-24 18:10:47 UTC
(rev 21181)
+++ branches/v14_6/Jmol/src/org/jmol/awtjs2d/Mouse.java 2016-08-02 03:07:20 UTC
(rev 21182)
@@ -75,31 +75,31 @@
@Override
public boolean processEvent(int id, int x, int y, int modifiers, long time) {
- if (id != -1)
+ if (id != MouseEvent.MOUSE_WHEEL)
modifiers = applyLeftMouse(modifiers);
switch (id) {
- case -1: // JavaScript
+ case MouseEvent.MOUSE_WHEEL: // JavaScript
wheeled(time, x, modifiers);
break;
- case Event.MOUSE_DOWN:
+ case MouseEvent.MOUSE_PRESSED:
xWhenPressed = x;
yWhenPressed = y;
modifiersWhenPressed10 = modifiers;
pressed(time, x, y, modifiers, false);
break;
- case Event.MOUSE_DRAG:
+ case MouseEvent.MOUSE_DRAGGED:
dragged(time, x, y, modifiers);
break;
- case Event.MOUSE_ENTER:
+ case MouseEvent.MOUSE_ENTERED:
entry(time, x, y, false);
break;
- case Event.MOUSE_EXIT:
+ case MouseEvent.MOUSE_EXITED:
entry(time, x, y, true);
break;
- case Event.MOUSE_MOVE:
+ case MouseEvent.MOUSE_MOVED:
moved(time, x, y, modifiers);
break;
- case Event.MOUSE_UP:
+ case MouseEvent.MOUSE_RELEASED:
released(time, x, y, modifiers);
// simulate a mouseClicked event for us
if (x == xWhenPressed && y == yWhenPressed
Modified: branches/v14_6/Jmol/src/org/jmol/shapesurface/Contact.java
===================================================================
--- branches/v14_6/Jmol/src/org/jmol/shapesurface/Contact.java 2016-07-24
18:10:47 UTC (rev 21181)
+++ branches/v14_6/Jmol/src/org/jmol/shapesurface/Contact.java 2016-08-02
03:07:20 UTC (rev 21182)
@@ -479,17 +479,18 @@
return true;
Bond[] bondsOther = atomB.bonds;
Bond[] bonds = atomA.bonds;
- for (int i = 0; i < bondsOther.length; i++) {
- Atom atom2 = bondsOther[i].getOtherAtom(atomB);
- if (atomA.isCovalentlyBonded(atom2))
- return true;
- for (int j = 0; j < bonds.length; j++)
- if (bonds[j].getOtherAtom(atomA).isCovalentlyBonded(atom2))
+ if (bondsOther != null && bonds != null)
+ for (int i = 0; i < bondsOther.length; i++) {
+ Atom atom2 = bondsOther[i].getOtherAtom(atomB);
+ if (atomA.isCovalentlyBonded(atom2))
return true;
- }
+ for (int j = 0; j < bonds.length; j++)
+ if (bonds[j].getOtherAtom(atomA).isCovalentlyBonded(atom2))
+ return true;
+ }
return false;
}
-
+
/**
*
* @param cp1
Modified: branches/v14_6/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v14_6/Jmol/src/org/jmol/viewer/Jmol.properties 2016-07-24
18:10:47 UTC (rev 21181)
+++ branches/v14_6/Jmol/src/org/jmol/viewer/Jmol.properties 2016-08-02
03:07:20 UTC (rev 21182)
@@ -7,8 +7,12 @@
# see also http://chemapps.stolaf.edu/jmol/zip for daily updates
-Jmol.___JmolVersion="14.6.1_2016.07.24"
+Jmol.___JmolVersion="14.6.1_2016.07.29"
+bug fix: COMPARE command can fail if an atom has no bonds
+
+JmolVersion="14.6.1_2016.07.24"
+
bug fix: write x.pdb for multimodel file does not work.
JmolVersion="14.6.1_2016.07.11"
Modified: trunk/Jmol/jars/jspecview.properties
===================================================================
--- trunk/Jmol/jars/jspecview.properties 2016-07-24 18:10:47 UTC (rev
21181)
+++ trunk/Jmol/jars/jspecview.properties 2016-08-02 03:07:20 UTC (rev
21182)
@@ -1,5 +1,5 @@
#JSpecView Application Properties
-#Fri Oct 16 09:46:48 CDT 2015
+#Fri May 27 09:51:54 CDT 2016
integralFactor=50
AtoTSeparateWindow=false
useDirectoryLastExportedFile=false
@@ -19,7 +19,7 @@
showXScale=true
showSidePanel=true
showToolBar=true
-recentFilePaths=http\://SIMULATION/propane, http\://SIMULATION/ethanol,
http\://SIMULATION/acetophenone, C\:\\temp\\tt.jdx,
c\:\\temp\\ethanolamine.jdx, c\:\\temp\\acetophenone.jdx, c\:\\temp\\t.jdx
+recentFilePaths=http\://SIMULATION/H1/methanol,
http\://SIMULATION/C13/tylenol, http\://SIMULATION/H1/tylenol,
http\://SIMULATION/propane, http\://SIMULATION/ethanol,
http\://SIMULATION/acetophenone, C\:\\temp\\tt.jdx,
c\:\\temp\\ethanolamine.jdx, c\:\\temp\\acetophenone.jdx, c\:\\temp\\t.jdx
automaticallyOverlay=false
showCoordinates=false
integralMinY=0.1
Modified: trunk/Jmol/src/org/jmol/awtjs2d/Mouse.java
===================================================================
--- trunk/Jmol/src/org/jmol/awtjs2d/Mouse.java 2016-07-24 18:10:47 UTC (rev
21181)
+++ trunk/Jmol/src/org/jmol/awtjs2d/Mouse.java 2016-08-02 03:07:20 UTC (rev
21182)
@@ -75,31 +75,31 @@
@Override
public boolean processEvent(int id, int x, int y, int modifiers, long time) {
- if (id != -1)
+ if (id != MouseEvent.MOUSE_WHEEL)
modifiers = applyLeftMouse(modifiers);
switch (id) {
- case -1: // JavaScript
+ case MouseEvent.MOUSE_WHEEL: // JavaScript
wheeled(time, x, modifiers);
break;
- case Event.MOUSE_DOWN:
+ case MouseEvent.MOUSE_PRESSED:
xWhenPressed = x;
yWhenPressed = y;
modifiersWhenPressed10 = modifiers;
pressed(time, x, y, modifiers, false);
break;
- case Event.MOUSE_DRAG:
+ case MouseEvent.MOUSE_DRAGGED:
dragged(time, x, y, modifiers);
break;
- case Event.MOUSE_ENTER:
+ case MouseEvent.MOUSE_ENTERED:
entry(time, x, y, false);
break;
- case Event.MOUSE_EXIT:
+ case MouseEvent.MOUSE_EXITED:
entry(time, x, y, true);
break;
- case Event.MOUSE_MOVE:
+ case MouseEvent.MOUSE_MOVED:
moved(time, x, y, modifiers);
break;
- case Event.MOUSE_UP:
+ case MouseEvent.MOUSE_RELEASED:
released(time, x, y, modifiers);
// simulate a mouseClicked event for us
if (x == xWhenPressed && y == yWhenPressed
Modified: trunk/Jmol/src/org/jmol/shapesurface/Contact.java
===================================================================
--- trunk/Jmol/src/org/jmol/shapesurface/Contact.java 2016-07-24 18:10:47 UTC
(rev 21181)
+++ trunk/Jmol/src/org/jmol/shapesurface/Contact.java 2016-08-02 03:07:20 UTC
(rev 21182)
@@ -479,14 +479,15 @@
return true;
Bond[] bondsOther = atomB.bonds;
Bond[] bonds = atomA.bonds;
- for (int i = 0; i < bondsOther.length; i++) {
- Atom atom2 = bondsOther[i].getOtherAtom(atomB);
- if (atomA.isCovalentlyBonded(atom2))
- return true;
- for (int j = 0; j < bonds.length; j++)
- if (bonds[j].getOtherAtom(atomA).isCovalentlyBonded(atom2))
+ if (bondsOther != null && bonds != null)
+ for (int i = 0; i < bondsOther.length; i++) {
+ Atom atom2 = bondsOther[i].getOtherAtom(atomB);
+ if (atomA.isCovalentlyBonded(atom2))
return true;
- }
+ for (int j = 0; j < bonds.length; j++)
+ if (bonds[j].getOtherAtom(atomA).isCovalentlyBonded(atom2))
+ return true;
+ }
return false;
}
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2016-07-24 18:10:47 UTC
(rev 21181)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2016-08-02 03:07:20 UTC
(rev 21182)
@@ -47,8 +47,12 @@
-- sets the echo offset to a specific screen pixel offset
-- TODO not saved in state
-Jmol.___JmolVersion="14.7.1_2016.07.24"
+Jmol.___JmolVersion="14.7.1_2016.07.29"
+bug fix: COMPARE command can fail if an atom has no bonds
+
+JmolVersion="14.7.1_2016.07.24"
+
bug fix: write x.pdb for multimodel file does not work.
JmolVersion="14.7.1_2016.07.11"
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