Revision: 5134
Author: hansonr
Date: 2006-05-17 08:33:55 -0700 (Wed, 17 May 2006)
ViewCVS: http://svn.sourceforge.net/jmol/?rev=5134&view=rev
Log Message:
-----------
bob200603 Symmetry.java cleanup and adds references
Modified Paths:
--------------
branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Symmetry.java
Modified: branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Symmetry.java
===================================================================
--- branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Symmetry.java
2006-05-17 13:46:25 UTC (rev 5133)
+++ branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Symmetry.java
2006-05-17 15:33:55 UTC (rev 5134)
@@ -26,10 +26,18 @@
import javax.vecmath.Point4f;
import javax.vecmath.Matrix4f;
+/*
+ * Bob Hanson 4/2006
+ *
+ * references: International Tables for Crystallography Vol. A. (2002)
+ *
+ *
http://www.iucr.org/iucr-top/cif/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html
+ *
http://www.iucr.org/iucr-top/cif/cifdic_html/1/cif_core.dic/Isymmetry_equiv_pos_as_xyz.html
+ *
+ * LATT : http://macxray.chem.upenn.edu/LATT.pdf thank you, Patrick Carroll
+ *
+ */
-// see http://rruff.geo.arizona.edu/AMS/amcsd.php
-// Bob Hanson 4/2006
-
class Symmetry {
String xyzOriginal;
String xyz;
@@ -39,7 +47,6 @@
Symmetry() { }
/*
- * LATT : http://macxray.chem.upenn.edu/LATT.pdf thank you, Patrick Carroll
*
* LATT < 0 means inversion -- multiply all through by -1,-1,-1.
*/
@@ -240,15 +247,6 @@
atom2.z = temp.z + transZ;
}
- boolean isUnityOperation() {
- Point4f temp = new Point4f(0.12345f, 0.23456f, 0.345678f, 1);
- Point4f temp2 = new Point4f();
- //System.out.println("isUnityOp?" + temp);
- operation.transform(temp, temp2);
- temp2.w += 1.0f;
- return temp.equals(temp2);
- }
-
final Atom atomTest = new Atom();
void setOffset(Atom[] atoms, int atomIndex, int count) {
int i1 = atomIndex;
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