From: <ha...@us...> - 2009-05-16 03:36:17
|
Revision: 10867 http://jmol.svn.sourceforge.net/jmol/?rev=10867&view=rev Author: hansonr Date: 2009-05-16 03:36:08 +0000 (Sat, 16 May 2009) Log Message: ----------- version=11.7.36_dev xtals # bug fix: Hall lattice operation (SHELX only) could place atoms in unexpected unit cell # bug fix: unitCell normalization error could miss some atoms in multi-unit cell visualizations Modified Paths: -------------- branches/v11_6/Jmol/src/org/jmol/symmetry/SpaceGroup.java Modified: branches/v11_6/Jmol/src/org/jmol/symmetry/SpaceGroup.java =================================================================== --- branches/v11_6/Jmol/src/org/jmol/symmetry/SpaceGroup.java 2009-05-15 22:59:05 UTC (rev 10866) +++ branches/v11_6/Jmol/src/org/jmol/symmetry/SpaceGroup.java 2009-05-16 03:36:08 UTC (rev 10867) @@ -637,11 +637,11 @@ // prior to Jmol 11.7.36/11.6.23 this was setting nOps within the loop // and setIdentity() outside the loop. That caused a multiplication of // operations, not a resetting of them each time. - int nOps = operationCount; for (int i = 0; i < h.nRotations; i++) { mat1.set(h.rotationTerms[i].seitzMatrix12ths); int nRot = h.rotationTerms[i].order; newOps[0].setIdentity(); + int nOps = operationCount; for (int j = 1; j <= nRot; j++) { newOps[j].mul(mat1, newOps[0]); newOps[0].set(newOps[j]); This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |