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[Jmol-commits] SF.net SVN: jmol: [8177] branches/v11_2/Jmol/src/org/jmol
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From: <ha...@us...> - 2007-08-31 21:47:47
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Revision: 8177
http://jmol.svn.sourceforge.net/jmol/?rev=8177&view=rev
Author: hansonr
Date: 2007-08-31 14:47:42 -0700 (Fri, 31 Aug 2007)
Log Message:
-----------
11.2.11
# bug fix: rotateSelected MOLECULAR not around {0 0 0}
Modified Paths:
--------------
branches/v11_2/Jmol/src/org/jmol/modelset/ModelManager.java
branches/v11_2/Jmol/src/org/jmol/modelset/ModelSet.java
branches/v11_2/Jmol/src/org/jmol/viewer/Eval.java
branches/v11_2/Jmol/src/org/jmol/viewer/Jmol.properties
branches/v11_2/Jmol/src/org/jmol/viewer/TransformManager.java
branches/v11_2/Jmol/src/org/jmol/viewer/Viewer.java
Modified: branches/v11_2/Jmol/src/org/jmol/modelset/ModelManager.java
===================================================================
--- branches/v11_2/Jmol/src/org/jmol/modelset/ModelManager.java 2007-08-31 21:45:24 UTC (rev 8176)
+++ branches/v11_2/Jmol/src/org/jmol/modelset/ModelManager.java 2007-08-31 21:47:42 UTC (rev 8177)
@@ -1344,8 +1344,8 @@
modelSet.invertSelected(pt, plane, bs);
}
- public void rotateSelected(Matrix3f mNew, Matrix3f matrixRotate, BitSet bs, boolean fullMolecule) {
- modelSet.rotateSelected(mNew, matrixRotate, bs, fullMolecule);
+ public void rotateSelected(Matrix3f mNew, Matrix3f matrixRotate, BitSet bs, boolean fullMolecule, boolean isInternal) {
+ modelSet.rotateSelected(mNew, matrixRotate, bs, fullMolecule, isInternal);
}
public String getHybridizationAndAxes(int atomIndex, Vector3f z, Vector3f x,
Modified: branches/v11_2/Jmol/src/org/jmol/modelset/ModelSet.java
===================================================================
--- branches/v11_2/Jmol/src/org/jmol/modelset/ModelSet.java 2007-08-31 21:45:24 UTC (rev 8176)
+++ branches/v11_2/Jmol/src/org/jmol/modelset/ModelSet.java 2007-08-31 21:47:42 UTC (rev 8177)
@@ -395,7 +395,7 @@
private final Point3f ptTemp = new Point3f();
void rotateSelected(Matrix3f mNew, Matrix3f matrixRotate, BitSet bsInput,
- boolean fullMolecule) {
+ boolean fullMolecule, boolean isInternal) {
bspf = null;
BitSet bs = (fullMolecule ? getMoleculeBitSet(bsInput) : bsInput);
matInv.set(matrixRotate);
@@ -412,6 +412,8 @@
taint(i);
n++;
}
+ if (isInternal)
+ return;
ptTemp.scale(1f / n);
for (int i = atomCount; --i >= 0;)
if (bs.get(i))
Modified: branches/v11_2/Jmol/src/org/jmol/viewer/Eval.java
===================================================================
--- branches/v11_2/Jmol/src/org/jmol/viewer/Eval.java 2007-08-31 21:45:24 UTC (rev 8176)
+++ branches/v11_2/Jmol/src/org/jmol/viewer/Eval.java 2007-08-31 21:47:42 UTC (rev 8177)
@@ -4076,7 +4076,13 @@
*
* The MOLECULAR keyword indicates that spins or rotations are to be
* carried out in the internal molecular coordinate frame, not the
- * fixed room frame. Fractional coordinates may be indicated:
+ * fixed room frame.
+ *
+ * In the case of rotateSelected, all rotations are internal
+ * and the absense of the MOLECULAR keyword indicates to
+ * rotate about the geometric center of the molecule, not {0 0 0}
+ *
+ * Fractional coordinates may be indicated:
*
* spin 20 {0 0 0/} {1 1 1/}
*
Modified: branches/v11_2/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v11_2/Jmol/src/org/jmol/viewer/Jmol.properties 2007-08-31 21:45:24 UTC (rev 8176)
+++ branches/v11_2/Jmol/src/org/jmol/viewer/Jmol.properties 2007-08-31 21:47:42 UTC (rev 8177)
@@ -1,6 +1,7 @@
version=11.2.11_dev
# bug fix: HDO not recognized as "water"
+# bug fix: rotateSelected MOLECULAR not around {0 0 0}
# -----------------------------------------------------------------------------
Modified: branches/v11_2/Jmol/src/org/jmol/viewer/TransformManager.java
===================================================================
--- branches/v11_2/Jmol/src/org/jmol/viewer/TransformManager.java 2007-08-31 21:45:24 UTC (rev 8176)
+++ branches/v11_2/Jmol/src/org/jmol/viewer/TransformManager.java 2007-08-31 21:47:42 UTC (rev 8177)
@@ -312,30 +312,30 @@
matrixRotate.rotZ(angleRadians);
}
- void applyRotation(Matrix3f mNew) {
+ void applyRotation(Matrix3f mNew, boolean isInternal) {
if (rotateSelected)
- viewer.rotateSelected(mNew, matrixRotate, rotateMolecule);
+ viewer.rotateSelected(mNew, matrixRotate, rotateMolecule, isInternal);
else
matrixRotate.mul(mNew, matrixRotate);
}
synchronized void rotateXRadians(float angleRadians) {
matrixTemp3.rotX(angleRadians);
- applyRotation(matrixTemp3);
+ applyRotation(matrixTemp3, false);
}
synchronized void rotateYRadians(float angleRadians) {
if (axesOrientationRasmol)
angleRadians = -angleRadians;
matrixTemp3.rotY(angleRadians);
- applyRotation(matrixTemp3);
+ applyRotation(matrixTemp3, false);
}
synchronized void rotateZRadians(float angleRadians) {
if (axesOrientationRasmol)
angleRadians = -angleRadians;
matrixTemp3.rotZ(angleRadians);
- applyRotation(matrixTemp3);
+ applyRotation(matrixTemp3, false);
}
protected void rotateAxisAngle(Vector3f rotAxis, float radians) {
@@ -346,7 +346,7 @@
synchronized void rotateAxisAngle(AxisAngle4f axisAngle) {
matrixTemp3.setIdentity();
matrixTemp3.set(axisAngle);
- applyRotation(matrixTemp3);
+ applyRotation(matrixTemp3, false);
}
/* ***************************************************************
@@ -440,7 +440,7 @@
// NOW apply that rotation
matrixTemp3.set(axisangleT);
- applyRotation(matrixTemp3);
+ applyRotation(matrixTemp3, true);
if (!rotateSelected)
getNewFixedRotationCenter();
}
Modified: branches/v11_2/Jmol/src/org/jmol/viewer/Viewer.java
===================================================================
--- branches/v11_2/Jmol/src/org/jmol/viewer/Viewer.java 2007-08-31 21:45:24 UTC (rev 8176)
+++ branches/v11_2/Jmol/src/org/jmol/viewer/Viewer.java 2007-08-31 21:47:42 UTC (rev 8177)
@@ -5533,9 +5533,9 @@
modelManager.invertSelected(pt, plane, selectionManager.bsSelection);
}
- void rotateSelected(Matrix3f mNew, Matrix3f matrixRotate, boolean fullMolecule) {
+ void rotateSelected(Matrix3f mNew, Matrix3f matrixRotate, boolean fullMolecule, boolean isInternal) {
modelManager.rotateSelected(mNew, matrixRotate,
- selectionManager.bsSelection, fullMolecule);
+ selectionManager.bsSelection, fullMolecule, isInternal);
}
/**
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