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DF-

PCS, ALTENS, PRE -- all worked smoothly so far, completed their jobs, and stored the data in the folders. However, no graphical outputs were produced.

Working site http://pcs.genapp.rocks/parnmr

It produced all the correct plots (as on our PARNMR poster at Gateways 2019 and the paper that wasn't accepted).
The only caveat I found with that site is that the "PREDICT" module is actually not doing prediction but rather does the
same analysis as ALTENS. I assume Cheol created it as a placeholder for PREDICT but didn't get to put Matthew's code in it.
I am glad that at least one site still works!!!
Here are a few snapshots of the outputs:
PCS:

ALTENS:

PRE:

From DF -

ROTDIF. Works smoothly, producing the expected graphical outputs. I have a couple of issues with how the plots look and also the axes values on some of the plots, but we can address them, I guess.
At some point when I was running and re-running tests, the program gave me an error message for one particular data set -- although it processed it properly before. The only way I was able to get rid of this error is to close NMRSuite and start it again.

error => Empty JSON returned from executable
error_output => close failed in file object destructor: IOError: [Errno 9] Bad file descriptor Traceback (most recent call last): File "/opt/genapp/nmrsuite/bin/main_rotdif.py", line 103, in output_res[ 'plot_2d' ] = plot_2d_3d(color_list, exp_keys)[0] File "/opt/genapp/nmrsuite/bin/plot_2d_3d.py", line 311, in plot_2d_3d "name" : exp_keys[i] IndexError: list index out of range)

Modules that produce plots using Plotly put the plots in the right half of the display.
This should be modified so that the plots take up both columns.

Module that product plots using Bokeh are currently expanding the 2nd half of the display, distorting the layout by compressing the left half of the display.

This will be solved with the application of the designer - to ease layout management.
Could be done manually now - if needed for a critical presentation/demo.

DF -
ELMDOCK -- seemed to have completed the calculations, but gave me the following error:

error => Empty JSON returned from executable

error_output => run name already used Error: Unable to access jarfile /opt/genapp/rotdif/bin/rotdif-1.1.jar close failed in file object destructor: IOError: [Errno 9] Bad file descriptor Traceback (most recent call last): File "/opt/genapp/nmrsuite/bin/main_elmdock.py", line 70, in exp_keys = exp_plot(color_list, dyna_flag, elm_flag, elmdock_flag,relax_loc)[1] File "/opt/genapp/nmrsuite/bin/plot_exp_elmdock.py", line 11, in exp_plot iso_output = split_data(dyna_flag, elm_flag, elmdock_flag)[0] File "/opt/genapp/nmrsuite/bin/elmdock_split.py", line 50, in split_data iso_output = preprocess_out(iso_start, iso_end, all_txt,"exp") UnboundLocalError: local variable 'iso_start' referenced before assignment

This was due to hard-coding on a file path.
Fixed: b283b8d

Please add context-dependent (if possible) DOCS tabs to NMRSuite pages.