Skip to content
Snippets Groups Projects
Commit f989063d authored by cmaffeo2's avatar cmaffeo2
Browse files

Reordered A/B in minimizeRmsd() to be consistent with supplied arguments; does...

Reordered A/B in minimizeRmsd() to be consistent with supplied arguments; does not affect return values
parent f6b77677
No related branches found
No related tags found
No related merge requests found
...@@ -29,9 +29,9 @@ def minimizeRmsd(coordsB, coordsA, weights=None, maxIter=100): ...@@ -29,9 +29,9 @@ def minimizeRmsd(coordsB, coordsA, weights=None, maxIter=100):
def minimizeRmsd(coordsB, coordsA, weights=None): def minimizeRmsd(coordsB, coordsA, weights=None):
q,comA,comB = _minimizeRmsd(coordsB, coordsA, weights) q,comB,comA = _minimizeRmsd(coordsB, coordsA, weights)
assert( np.all(np.isreal( q )) ) assert( np.all(np.isreal( q )) )
return quaternion_to_matrix(q),comA,comB return quaternion_to_matrix(q),comB,comA
## http://onlinelibrary.wiley.com/doi/10.1002/jcc.21439/full ## http://onlinelibrary.wiley.com/doi/10.1002/jcc.21439/full
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment