diff --git a/processing/pre/geom_fromTable.py b/processing/pre/geom_fromTable.py index ec5825dd8..0898f66d5 100755 --- a/processing/pre/geom_fromTable.py +++ b/processing/pre/geom_fromTable.py @@ -217,14 +217,13 @@ for name in filenames: o = damask.Orientation(quaternion = myData[colOri:colOri+4], symmetry = mySym).reduced() - oInv = o.quaternion.conjugated() neighbors = KDTree.query_ball_point([x,y,z], 3) # search points within radius breaker = False for n in neighbors: # check each neighbor if myRank <= rank[n] or table.data[n,colPhase] != myData[colPhase]: continue # skip myself, anyone further ahead (cannot yet have a grain ID), and other phases for symQ in symQuats[microstructure[rank[n]]-1]: - if (symQ*oInv).asAngleAxis(degrees = options.degrees)[0] <= options.tolerance: # found existing orientation resembling me + if (symQ*o.quaternion).asAngleAxis(degrees = options.degrees)[0] <= options.tolerance: # found existing orientation resembling me microstructure[myRank] = microstructure[rank[n]] breaker = True; break if breaker: break @@ -232,7 +231,7 @@ for name in filenames: if microstructure[myRank] == 0: # no other orientation resembled me nGrains += 1 # make new grain ... microstructure[myRank] = nGrains # ... and assign to me - symQuats.append(o.symmetry.equivalentQuaternions(o.quaternion)) # store all symmetrically equivalent orientations for future comparison + symQuats.append(o.symmetry.equivalentQuaternions(o.quaternion.conjugated())) # store all symmetrically equivalent orientations for future comparison phases.append(myData[colPhase]) # store phase info for future reporting myRank += 1