bounds rpthermo bug
kenza12 opened this issue · 1 comments
kenza12 commented
Hi,
There is a bug with rpthermo as you can see with the following command line and error:
(rptools_5_13_1) kenza@kenza-Precision-3551:~/Bureau/rptools/rptools$ python3.9 -m rptools.rpthermo ../../synbiocad-galaxy-wrappers/rpThermo/test-data/rp_013_0001.xml test_out --pH '7.5' --ionic_strength '0.25' --pMg '3.0'
usage: rpthermo [-h] [--log ARG] [--log_file LOG_FILE] [--silent] [--version] [--pH [0-14]] [--ionic_strength [0-500]] [--pMg PMG] infile outfile
rpthermo: error: argument --pH: invalid choice: 7.5 (choose from 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14)
I think that the bounds (min_ph and max_ph) need to be defined as floats too : https://github.com/brsynth/rptools/blob/master/rptools/rpthermo/Args.py#L6
breakthewall commented
Ok, removed choices
argument in Args because you cannot range
float values.
Push on dev
branch but still waiting for GitHub to solve the Segmentation fault
problem on Test
action.