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Add initial attempt at a plugin detector. #292

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Add initial attempt at a plugin detector. #292

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e8cc67a
Add initial attempt at a plugin detector.
uppittu11 Oct 31, 2019
2678a39
Make plugin_dir reference the directory instead of a file.
uppittu11 Nov 22, 2019
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1 change: 1 addition & 0 deletions foyer/__init__.py
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Original file line number Diff line number Diff line change
@@ -1,3 +1,4 @@
from foyer.forcefield import Forcefield
from foyer.forcefields import forcefields
from foyer.version import version
from foyer.plugins import collect_plugins
41 changes: 41 additions & 0 deletions foyer/plugins.py
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@@ -0,0 +1,41 @@
import foyer
import glob
import os

def collect_plugins(plugin_names=None):
"""
Detects which plugins are installed

Arguments
---------
plugin_names: list, default=None
A list of non-standard plugin names (strings) to additionally
check for.
"""

plugin_funcs = [func for func in dir(foyer.forcefields)
if "load" in func and "__" not in func]

if plugin_names:
plugin_funcs += plugin_names

plugins = dict()
for plugin_func in plugin_funcs:
plugin_loader_func = eval("foyer.forcefields.{}".format(plugin_func))
# Assumes all plugins are named "load_{plugin_name}"
plugin_name = "_".join(plugin_func.split("_")[1:])
# TODO: plugin_version = get_version_info
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Any initial thoughts on how we should store this information? I see we want it to be accessible from the loader but I'm not sure how to go about doing that - maybe these functions should be expanded into (lightweight) classes?

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Check out my plugins branch for the PFE repo. To demonstrate how FF versioning would work, I added some dummy forcefield versions and file organization for adding forcefields versions. Version and xml_path are returned when the forcefield is loaded, and can be easily accessed by the plugin detector in foyer:

>>> import foyer
>>> pfe = foyer.forcefields.load_PFE()
>>> pfe.version
'1.0.0'
>>> pfe.xml_path
['/Users/parashara/Documents/devel/git/forcefield_perfluoroethers/perfluoroethers/xml/current/PFE.xml']
>>> pfe = foyer.forcefields.load_PFE("0.0.2")
>>> pfe.version
'0.0.2'
>>> pfe.xml_path
['/Users/parashara/Documents/devel/git/forcefield_perfluoroethers/perfluoroethers/xml/versions/0.0.2/PFE.xml']

plugin_dir = eval("foyer.forcefields.{}.__globals__['__file__']".format(plugin_func))
plugin_dir = os.path.dirname(plugin_dir)
# TODO: plugin_xml_path = get_xml_path
# This assumes that plugin directory tree is consistent.
# Does not consider versioned FFs.
plugin_xml_path = glob.glob("{}/xml/*xml".format(plugin_dir))
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Is there a way to semi-intelligently glob recursively, i.e. to get both '{}/xml/*xml' and '{}/*xml'? We probably don't need arbitrary recursion, maybe handling 2-3 cases is sufficient.

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For me this is what I get:

(Pdb) plugin_dir
'/Users/raymatsumoto/science/forcefields/forcefield_perfluoroethers/perfluoroethers/perfluoroethers.py'
(Pdb)

So I'm unable to glob this path.


plugin = {plugin_name : {"version" : None,
"load_function" : plugin_loader_func,
"xml_path" : plugin_xml_path
}}
plugins.update(plugin)

return plugins