You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
print(" Unit cell:", group['best_subsym'].unit_cell())
This becomes an issue when trying to control text output, as one can not selectively suppress this output.
As this is printing information that is also added to the output string, it could be the case that this is just leftover redundancy after a few code updates.
I would like to either a) remove the print statement entirely, or b) add this information to the start of the output string.
I wondered if @phyy-nx has any thoughts? My preference would be for a). I'm happy to do the work for this.
Currently, if you then immediately print the output string, as is typically the case in the code, this gives the following kind of output:
Unit cell: (96.7358, 96.7358, 96.7358, 90, 90, 90)
Unit cell: (136.846, 136.846, 96.6817, 90, 90, 90)
Unit cell: (96.7108, 96.7108, 193.541, 90, 90, 90)
0 singletons:
Point group a b c alpha beta gamma
3 clusters:
Cluster_id N_xtals Med_a Med_b Med_c Med_alpha Med_beta Med_gamma Delta(deg)
34 in P1.
cluster_23 34 96.51 (0.17 ) 96.69 (0.09 ) 97.01 (0.31 ) 89.95 (0.31) 89.97 (0.31) 89.96 (0.17)
P m -3 m (No. 221) 96.74 96.74 96.74 90.00 90.00 90.00 0.3
5 in P1.
cluster_22 5 96.68 (0.32 ) 136.62(0.16 ) 137.08(0.31 ) 90.12 (0.24) 90.05 (0.17) 90.07 (0.40)
P 4/m m m (No. 123) 136.85 136.85 96.68 90.00 90.00 90.00 0.21
4 in P1.
cluster_21 4 96.50 (0.06 ) 96.92 (0.36 ) 193.54(0.55 ) 89.97 (0.27) 89.92 (0.33) 89.99 (0.27)
P 4/m m m (No. 123) 96.71 96.71 193.54 90.00 90.00 90.00 0.26
Removing the print would remove the three lines of unit cells at the start.
The text was updated successfully, but these errors were encountered:
In the
unit_cell_info
function incluster_groups.py
, text output is collated into an output string, except in one instance, whereprint
is called:cctbx_project/xfel/clustering/cluster_groups.py
Line 35 in 84778b7
This becomes an issue when trying to control text output, as one can not selectively suppress this output.
As this is printing information that is also added to the output string, it could be the case that this is just leftover redundancy after a few code updates.
I would like to either a) remove the print statement entirely, or b) add this information to the start of the output string.
I wondered if @phyy-nx has any thoughts? My preference would be for a). I'm happy to do the work for this.
Currently, if you then immediately print the output string, as is typically the case in the code, this gives the following kind of output:
Removing the print would remove the three lines of unit cells at the start.
The text was updated successfully, but these errors were encountered: