Issue 107 refactor rbhtfinder #126
Conversation
add basic test integration (all passing) generate a new input file with tabs as delimiter (original has spaces as delimiter)
add rbhtfinder_original as python module add test integration
add rbhtfinder class
refactor (WIP)
mypy fix add rbhtfinder types to common module add models module
add filter, minmax and minmaxvalues schemas mypy fix final refactor
| from functools import partial | ||
|
|
||
| import numpy as np | ||
| import pandas as pd |
There was a problem hiding this comment.
If pandas is not installed, this line will raise an ImportError exception.
We need to handle this and set a variable (something like PANDAS_IS_AVAILABLE) to True if the import is successful, or False otherwise, and use it below.
Anyways, I'd rather not add pandas as a dependency. We will explore the possible ways to do it together.
| ] | ||
| for column in columns | ||
| } | ||
| num_cpus = os.cpu_count() or 1 |
There was a problem hiding this comment.
the number of cpus should be part of the config structure, and be passed via command line argument.
let's say something like -c / --cpu-count with a default of 1.
| import numpy | ||
| import numpy as np | ||
| import numpy.typing as npt |
There was a problem hiding this comment.
I know the standard/recommendation for numpy imports is to give it the np alias, but I'd rather have the full name. It's not like it saves a big amount of characters, and it is less "clear" / "pythonic".
This one is a purely stylistic choice, just the same way I'd name a variable velocity_x, instead of just vx, for anything other than a prototype.
(same thing with pandas, matplotlib.pyplot, etc)
add cpu_count argument to parser update pandas and numpy imports
This PR updates the rbhtfinder script to adhere to the coding standards and general design of the rdock_utils.
While all the automated tests I created have passed, I recommend a thorough review of the changes to some core operations. This review should focus on the following areas:
This review will ensure the changes align with the project goals and maintain the expected functionality. Please let me know if there are any concerns or suggestions.
closes #107