Revision: 5234
Author: hansonr
Date: 2006-06-23 06:54:18 -0700 (Fri, 23 Jun 2006)
ViewCVS: http://svn.sourceforge.net/jmol/?rev=5234&view=rev
Log Message:
-----------
bob200603 10.x dipole correction for centered bond dipoles not correctly
scaling
Modified Paths:
--------------
branches/bob200603/Jmol/src/org/jmol/viewer/Dipole.java
branches/bob200603/Jmol/src/org/jmol/viewer/DipolesRenderer.java
Modified: branches/bob200603/Jmol/src/org/jmol/viewer/Dipole.java
===================================================================
--- branches/bob200603/Jmol/src/org/jmol/viewer/Dipole.java 2006-06-21
05:22:25 UTC (rev 5233)
+++ branches/bob200603/Jmol/src/org/jmol/viewer/Dipole.java 2006-06-23
13:54:18 UTC (rev 5234)
@@ -36,6 +36,7 @@
short type;
Point3f origin;
+ Point3f center;
Vector3f vector;
String dipoleInfo = "";
@@ -156,9 +157,11 @@
}
void centerDipole() {
- float f = atoms[0].point3f.distance(atoms[1].point3f)
- / (2 * dipoleValue) - 0.5f;
+ float f = atoms[0].point3f.distance(atoms[1].point3f) / (2 * dipoleValue)
+ - 0.5f;
origin.scaleAdd(f, vector, atoms[0].point3f);
+ center = new Point3f();
+ center.scaleAdd(0.5f, vector, origin);
bond = atoms[0].getBond(atoms[1]);
type = (bond == null ? Dipole.DIPOLE_TYPE_ATOMS : Dipole.DIPOLE_TYPE_BOND);
}
Modified: branches/bob200603/Jmol/src/org/jmol/viewer/DipolesRenderer.java
===================================================================
--- branches/bob200603/Jmol/src/org/jmol/viewer/DipolesRenderer.java
2006-06-21 05:22:25 UTC (rev 5233)
+++ branches/bob200603/Jmol/src/org/jmol/viewer/DipolesRenderer.java
2006-06-23 13:54:18 UTC (rev 5234)
@@ -71,13 +71,22 @@
boolean transform(Dipole dipole) {
Vector3f vector = dipole.vector;
offset.set(vector);
- offset.scale(dipole.offsetAngstroms / dipole.dipoleValue);
- if (dipoleVectorScale < 0)
- offset.add(vector);
- System.out.println("dipole render scale offset" + dipoleVectorScale + "
val=" + dipole.dipoleValue+
+ if (dipole.center == null) {
+ offset.scale(dipole.offsetAngstroms / dipole.dipoleValue);
+ if (dipoleVectorScale < 0)
+ offset.add(vector);
+ System.out.println("dipole render scale offset vector" + dipoleVectorScale
+ " val=" + dipole.dipoleValue+
offset + vector);
points[cylinderBase].set(dipole.origin);
points[cylinderBase].add(offset);
+ } else {
+ offset.scale(-0.5f * dipoleVectorScale);
+ System.out.println("dipole render scale center offset vector " +
dipoleVectorScale + " val=" + dipole.dipoleValue+
+ dipole.center + offset + vector);
+ points[cylinderBase].set(dipole.center);
+ points[cylinderBase].add(offset);
+ }
+
points[cross].scaleAdd(dipoleVectorScale * crossOffset, vector,
points[cylinderBase]);
points[crossEnd].scaleAdd(dipoleVectorScale * (crossOffset + crossWidth),
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