Revision: 18384
http://sourceforge.net/p/jmol/code/18384
Author: hansonr
Date: 2013-07-01 08:40:38 +0000 (Mon, 01 Jul 2013)
Log Message:
-----------
{xx}.tensor()
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/modelset/ModelCollection.java
trunk/Jmol/src/org/jmol/render/TextRenderer.java
trunk/Jmol/src/org/jmol/util/Tensor.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/jmol/modelset/ModelCollection.java
===================================================================
--- trunk/Jmol/src/org/jmol/modelset/ModelCollection.java 2013-07-01
08:08:21 UTC (rev 18383)
+++ trunk/Jmol/src/org/jmol/modelset/ModelCollection.java 2013-07-01
08:40:38 UTC (rev 18384)
@@ -3419,6 +3419,14 @@
return ilist;
}
+ /**
+ * Returns a list of tensors that are of the specified type and
+ * have both atomIndex1 and atomIndex2 in bs.
+ *
+ * @param type
+ * @param bs
+ * @return list of Tensors
+ */
@SuppressWarnings("unchecked")
public JmolList<Tensor> getInteractionTensorList(String type, BS bs) {
type = type.toLowerCase();
@@ -3431,7 +3439,7 @@
int n = tensors.size();
for (int j = 0; j < n; j++) {
Tensor t = tensors.get(j);
- if (t.type.equals(type))
+ if (t.type.equals(type) && bs.get(t.atomIndex1) &&
bs.get(t.atomIndex2))
list.addLast(t);
}
}
Modified: trunk/Jmol/src/org/jmol/render/TextRenderer.java
===================================================================
--- trunk/Jmol/src/org/jmol/render/TextRenderer.java 2013-07-01 08:08:21 UTC
(rev 18383)
+++ trunk/Jmol/src/org/jmol/render/TextRenderer.java 2013-07-01 08:40:38 UTC
(rev 18384)
@@ -76,19 +76,23 @@
static void drawPointer(Text text, JmolRendererInterface g3d) {
// now draw the pointer, if requested
- if ((text.pointer & Object2d.POINTER_ON) != 0) {
- if (!g3d.setColix((text.pointer & Object2d.POINTER_BACKGROUND) != 0 &&
text.bgcolix != 0 ? text.bgcolix
- : text.colix))
- return;
- if (text.boxX > text.atomX)
- g3d.drawLineXYZ(text.atomX, text.atomY, text.atomZ,
- (int) text.boxX, (int) (text.boxY + text.boxHeight / 2),
- text.zSlab);
- else if (text.boxX + text.boxWidth < text.atomX)
- g3d.drawLineXYZ(text.atomX, text.atomY, text.atomZ,
- (int) (text.boxX + text.boxWidth),
- (int) (text.boxY + text.boxHeight / 2), text.zSlab);
- }
+ if ((text.pointer & Object2d.POINTER_ON) == 0
+ || !g3d.setColix((text.pointer & Object2d.POINTER_BACKGROUND) != 0
+ && text.bgcolix != 0 ? text.bgcolix : text.colix))
+ return;
+ float w = text.boxWidth;
+ float h = text.boxHeight;
+ float pt = Float.NaN;
+ float x = text.boxX
+ + (text.boxX > text.atomX + w ? 0 : text.boxX + w < text.atomX -w ? w
+ : (pt = w / 2));
+ boolean setY = !Float.isNaN(pt);
+ float y = text.boxY
+ + (setY && text.boxY > text.atomY ? 0 : setY
+ && text.boxY + h < text.atomY ? h
+ : h / 2);
+ g3d.drawLineXYZ(text.atomX, text.atomY, text.atomZ, (int) x, (int) y,
+ text.zSlab);
}
static void renderSimpleLabel(JmolRendererInterface g3d, JmolFont font,
Modified: trunk/Jmol/src/org/jmol/util/Tensor.java
===================================================================
--- trunk/Jmol/src/org/jmol/util/Tensor.java 2013-07-01 08:08:21 UTC (rev
18383)
+++ trunk/Jmol/src/org/jmol/util/Tensor.java 2013-07-01 08:40:38 UTC (rev
18384)
@@ -110,7 +110,8 @@
/**
* returns an object of the specified type, including
- * "eigenvalues", "eigenvectors", "asymmetric", "symmetric", "type", and
"indices"
+ * "eigenvalues", "eigenvectors", "asymmetric",
+ * "symmetric", "trace", "indices", and "type"
*
* @param infoType
* @return Object or null
@@ -123,8 +124,10 @@
+ ";eigenvectors."
+ ";asymmetric..."
+ ";symmetric...."
+ + ";trace........"
+ + ";indices......"
+ ";type........."
- + ";indices......").indexOf(infoType)) {
+ ).indexOf(infoType)) {
case 14:
return eigenValues;
case 28:
@@ -149,15 +152,16 @@
b[i][j] = (float) symTensor[i][j];
return b;
case 70:
- return type;
+ return Float.valueOf(eigenValues[0] + eigenValues[1] + eigenValues[2]);
case 84:
return new int[] {modelIndex, atomIndex1, atomIndex2};
+ case 98:
+ return type;
default:
- return null;
+ return null;
}
}
-
public static Tensor copyTensor(Tensor t0) {
Tensor t = new Tensor();
t.setType(t0.type);
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2013-07-01 08:08:21 UTC
(rev 18383)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2013-07-01 08:40:38 UTC
(rev 18384)
@@ -13,14 +13,12 @@
new feature: {xxx}.tensor(type,what)
-- type = "temp", "ms", "efg", etc.
- -- what = "eigenvalues", "eigenvectors", "asymmetric", "symmetric", "type",
and "indices"
- -- returns a list of data
+ -- what = "eigenvalues", "eigenvectors", "asymmetric", "symmetric", "trace",
"indices", and "type"
+ -- returns a list of data.
new feature: SET ECHO POINT {atom or point}
- -- allows 2D and 3D echos to have
- -- needs a bit of adjustment, as it only works when x is not within range of
echo itself (same with labels)
+ -- allows 2D and 3D echos to have pointers to atoms or points
-
JmolVersion="13.1.18"
JmolVersion="13.1.17_dev_2013.06.27"
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