Change charge logging level to `logging.DEBUG` by mattwthompson · Pull Request #1487 · openforcefield/openff-interchange

mattwthompson · 2026-04-16T23:15:45Z

Description

:%s/logging.info/logging.debug/g and logging.INFO/logging.DEBUG/g

Checklist

Add tests
Lint
Update docstrings

codecov · 2026-04-16T23:24:59Z

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 94.07%. Comparing base (c83982c) to head (e9a0ec9).

Additional details and impacted files

@@           Coverage Diff           @@
##             main    #1487   +/-   ##
=======================================
  Coverage   94.07%   94.07%           
=======================================
  Files          73       73           
  Lines        6045     6045           
=======================================
  Hits         5687     5687           
  Misses        358      358

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:

❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

j-wags

Thanks @mattwthompson!

j-wags · 2026-04-23T19:05:58Z

 logging.basicConfig(level=logging.INFO)
+logger = logging.getLogger("openff.interchange").setLevel(logging.DEBUG)


(not blocking) Could this all be done in a single line, like?

logging.basicConfig(level=logging.DEBUG)

A user could do that, but changing the level of the root logger can have unintended consequences with other libraries that provide logging - including the toolkit (below). Getting a logger of just one module make this more targeted

In [1]: import logging In [2]: from openff.toolkit import ForceField, Molecule The OpenEye Toolkits are found to be installed but not licensed and therefore will not be used. The OpenEye Toolkits require a (free for academics) license, see https://docs.eyesopen.com/toolkits/python/quickstart-python/license.html The OpenEye Toolkits are found to be installed but not licensed and therefore will not be used. The OpenEye Toolkits require a (free for academics) license, see https://docs.eyesopen.com/toolkits/python/quickstart-python/license.html In [3]: logging.basicConfig(level=logging.DEBUG) DEBUG:asyncio:Using selector: KqueueSelector In [4]: ForceField("openff-2.2.0.offxml").create_interchange( ...: Molecule.from_smiles("CCO").to_topology() ...: ) /Users/mattthompson/software/openff-interchange/openff/interchange/components/interchange.py:1119: FutureWarning: `torch.distributed.reduce_op` is deprecated, please use `torch.distributed.ReduceOp` instead if isinstance(obj, functools._lru_cache_wrapper) and obj.__module__.startswith("openff.interchange"): DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for BondHandler DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2] : 2 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]=[#8X1+0] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#6X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#6X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X3:2]-[#6X3]=[#8X1+0] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](=[#8X1+0])-[#7X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#7X2,#7X3+1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](~!@[#7X3])(~!@[#7X3])~!@[#7X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#8:2] : 1 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X1-1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2H0:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2H1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3a:1]-[#8X2H0:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](=[#8X1])-[#8X2H0:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]=[#8X1+0,#8X2+1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1](~[#8X1])~[#8X1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]~[#8X2+1:2]~[#6X3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#6:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#6X4:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#6X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]#[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]#[#6X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#8X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]=[#6:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]=[#16:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#7X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]-[#7X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]:[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]=[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7+1:1]=[#7-1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]#[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#8X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]~[#8X1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#8X2,#8X1-1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#6:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#16:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#9:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#17:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#35:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#53:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X4:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1:1]-[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]-[#8X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2:1]=[#8X1,#7X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3!+1:1]-[#6:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]~[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]~[#7X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]-[#8X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3:1]~[#8X1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#6:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]=[#7:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#8X2:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]~[#8X1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1]-[#15:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]=[#16X1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#9:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#9:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#17:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#17:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#35:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#35:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#53:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#53:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#9:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#17:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#35:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#53:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#9:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#17:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#35:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1]-[#53:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#1:2] : 5 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1]-[#1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1]-[#1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8:1]-[#1:2] : 1 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:8 matches identified DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ConstraintHandler DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[*:2] : 6 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0:2]-[#1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0]-[#1:2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:6 matches identified DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for AngleHandler DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X4:2]-[*:3] : 24 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#1:3] : 8 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r3:1]~;@[*;r3:2]~;!@[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~;!@[*;r3:2]~;!@[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[*;r3:2]~;!@[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6r4:1]-;@[#6r4:2]-;@[#6r4:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#6r4:2]-;!@[!#1:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#6r4:2]-;!@[#1:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3:2]-[#1:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r6:1]~;@[*;r5:2]~;@[*;r5;x2:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r6:1]~;@[*;r5;x4,*;r5;X4:2]~;@[*;r5;x2:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~;!@[*;X3;r5:2]~;@[*;r5:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#6X3:2]~[#8:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X2:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X4,#7X3,#7X2-1:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]@-[r!r6;#7X4,#7X3,#7X2-1:2]@-[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3,#7X2-1:2]-[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]-[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2+0:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2+0:2]~[#6X2:3](~[#16X1]) : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X2+0:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#7X3:2]~[#8X1:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]~[#7X1:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8:2]-[*:3] : 2 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2+1:2]=[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X4,#16X3+0:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X2,#16X3+1:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#16X2:2]=[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#16X2:2]=[#8:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#6X3:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#6X4:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X2:2]-[#1:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]~[*:3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r5:1]1@[*;r5:2]@[*;r5:3]@[*;r5]@[*;r5]1 : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r5:1]1@[#16;r5:2]@[*;r5:3]@[*;r5]@[*;r5]1 : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*;r3:1]1~;@[*;r3:2]~;@[*;r3:3]1 : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:13 matches identified DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ProperTorsionHandler DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4:3]-[*:4] : 18 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#6X4:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#1:4] : 12 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#6X4:2]-[#6X4:3]-[#8X2:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9:1]-[#6X4:2]-[#6X4:3]-[#9:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17:1]-[#6X4:2]-[#6X4:3]-[#17:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35:1]-[#6X4:2]-[#6X4:3]-[#35:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#8X2:4] : 3 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#9:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#17:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X4:3]-[#35:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4;r3:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X4;r3:3]-[#6X4;r3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4;r3:2]-@[#6X4;r3:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-[#6X4;r3:2]-[#6X4;r3:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X4:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X3:3]=[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#6X3:3](~!@[#7X3])~!@[#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X3:3]=[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#6X3:3]=[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4:2]-[#6X3:3]=[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#6X4:2]-[#6X3:3]-[#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#6X3:3]-[#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X4,#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X3$(*-[#6X3,#6X2]):4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4;r3:2]-[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]-[#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]=[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#6X3;r6:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]-;@[#6X3;r5:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]=;@[#6X3;r5:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#7X2;r6:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#7X2:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#8X2:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]:[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-,:[#6X3:2]=[#6X3:3]-,:[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X3:2]=[#6X3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#6X3$(*=[#8,#16,#7]):3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#6X3:2]-[#6X3:3]=[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#6X3:2]-[#6X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7a:2]:[#6a:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X4:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X4:2]-[#7X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#6] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#6] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#7X4,#7X3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4:2]-[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#7X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]-[#6X4:3]-[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]=[#8,#16,#7] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H0:1]-[#6X4:2]-[#7X3:3]-[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]-[#6X4:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2]-[#6X4:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]=[#7X2,#7X3+1:2]-[#6X4:3]-[#6X3,#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3,#7X2-1:2]-[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3,#7X2-1:2]-!@[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-[#6X3$(*=[#8,#16,#7]):3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3:2]-[#6X3:3]=[#8,#16,#7:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#7X3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3;r5:2]-@[#6X3;r5:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#7X3:2]~[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#7X2,#7X3+1:2]-[#6X3:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X3:2]-[#7X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#7X2,#7X3+1:2]-[#6X3:3]=,:[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=,:[#6X3:2]-[#7X3:3](~[#8X1])~[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2,#7X3$(*~[#8X1]):2]:[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]:[#7X2:2]:[#6X3:3]:[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-,:[#6X3:2]=[#7X2:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3+1:2]=,:[#6X3:3]-,:[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3:2]~!@[#6X3:3](~!@[#7X3])~!@[#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16X4,#16X3+0:1]-[#7X2:2]=[#6X3:3]-[#16X2,#16X3+1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X3:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X4:3]-[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7X2:1]~[#7X2:2]-[#6X4:3]~[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#8X2:3]-[#1:4] : 3 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#8X2H1:3]-[#1:4] : 1 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#6X4:2]-[#8X2H0:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#8X2H0:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#6X4:2]-[#8X2:3]-[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2:2]-[#6X4:3]-[#8X2:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#8X2:2]-[#6X4:3]-[#7X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]-[#6X4;r3:3]-@[#6X4;r3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#8X2:2]-[#6X4;r3:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4;r3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#8X2:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2]-[#8X2:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](=[#8,#16,#7])-[#8X2H0:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](=[#8,#16,#7])-[#8:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2:2]-[#6X3:3]=[#8X1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8,#16,#7:1]=[#6X3:2]-[#8X2H0:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2:2]@[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2+1:2]=[#6X3:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#8X2+1:2]-[#6:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16:2]=,:[#6:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[#6:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[#6:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-@[#16X2,#16X1-1,#16X3+1:2]-@[#6X3,#7X2;r5:3]=@[#6,#7;r5:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3!+1:2]-[#6X4:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#6X4:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#6X4:3]~[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]-[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1]-[#16X4,#16X3+0:2]-[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]-[#6X4:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#15:2]-[#6X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8:2]-[#8:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8:2]-[#8H1:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#8X2:2]-[#7:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2r5:2]-;@[#7X3r5:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2r5:2]-;@[#7X2r5:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X4,#7X3:2]-[#7X4,#7X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X4,#7X3:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3$(*-[#6X3,#6X2]):2]-[#7X3$(*-[#6X3,#6X2]):3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7X3$(*-[#6X3,#6X2])r5:2]-@[#7X3$(*-[#6X3,#6X2])r5:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]@[#7X2:2]@[#7X2:3]@[#7X2,#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]-[#7X3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]-[#7X4:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]=[#7X2:2]-[#7X2:3]=[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X2:2]=,:[#7X2:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3+1:2]=,:[#7X2:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7x3:2]-[#7x3,#6x3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7x2:2]-[#7x3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6x3:2](~[#7,#8,#16])-[#6x3:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[!#6:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]-[#7:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#7X2:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]=,:[#7X2:3]-,:[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1]-[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X1:1]~[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#16X4,#16X3+0:2]-[#8X2:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#16X2,#16X3+1:2]-[#16X2,#16X3+1:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#8X2:2]-[#15:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2:1]-[#15:2]-[#8X2:3]-[#6X4:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7:2]-[#15:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[#7:2]-[#15:3]=[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X3:1]-[#7:2]-[#15:3]=[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7:2]=[#15:3]~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]-[*:2]#[*:3]-[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[*:2]-[*:3]#[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[*:2]=[#6,#7,#16,#15;X2:3]=[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:12 matches identified DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for ImproperTorsionHandler DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](~[*:3])~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](~[#8X1:3])~[#8:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#15,#16](!-[*])):2](~[*:3])~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#6X3]):2](~[*:3])~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*~[#7X2]):2](~[*:3])~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):2](~[*:3])~[*:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:0 matches identified DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for vdWHandler DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1] : 6 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4] : 5 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35] : 2 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X4]~[*+1,*+2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#6X2] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#7] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8] : 1 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#16] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6:1] : 2 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X2:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#6X4:1] : 2 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8:1] : 1 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H0+0:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#8X2H1+0:1] : 1 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#7:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#16:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#15:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#3+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#11+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#19+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#37+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#55+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1]-[#8X2H2+0:1]-[#1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0]-[#1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#54:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:9 matches identified DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:Finding matches for LibraryChargeHandler DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#3+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#11+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#19+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#37+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#55+1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#9X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#17X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#35X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#53X0-1:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1]-[#8X2H2+0:1]-[#1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#1:1]-[#8X2H2+0]-[#1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:[#54:1] : 0 matches DEBUG:openff.toolkit.typing.engines.smirnoff.parameters:0 matches identified DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 0 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 1 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 2 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 3 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 4 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 5 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 6 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 7 DEBUG:openff.interchange.smirnoff._nonbonded:Charge section ToolkitAM1BCC, using charge method am1bcc, applied to topology atom index 8 Out[4]: Interchange with 7 collections, non-periodic topology with 9 atoms. DEBUG:asyncio:Using selector: KqueueSelector

Co-authored-by: Jeff Wagner <jwagnerjpl@gmail.com>

…rge-logging-debug

FIX: Drop charge logging level to logging.DEBUG

0c3eeaa

mattwthompson force-pushed the charge-logging-debug branch from a9ab373 to 0c3eeaa Compare April 16, 2026 23:26

TST: Update test

4f85a61

jameseastwood assigned mattwthompson Apr 20, 2026

FIX: Also update logging virtual sites

7d332d6

mattwthompson marked this pull request as ready for review April 21, 2026 04:13

jameseastwood assigned j-wags Apr 21, 2026

mattwthompson marked this pull request as draft April 22, 2026 13:22

DOC: Update release history, user guide

81f28bf

mattwthompson marked this pull request as ready for review April 22, 2026 13:52

jameseastwood unassigned mattwthompson Apr 22, 2026

j-wags approved these changes Apr 23, 2026

View reviewed changes

jameseastwood assigned mattwthompson and unassigned j-wags Apr 23, 2026

mattwthompson and others added 4 commits April 24, 2026 11:18

Apply suggestions from code review

ccf97ae

Co-authored-by: Jeff Wagner <jwagnerjpl@gmail.com>

Fix example snippet

b29d672

Merge remote-tracking branch 'upstream/charge-logging-debug' into cha…

a4de1af

…rge-logging-debug

Merge remote-tracking branch 'upstream/main' into charge-logging-debug

e9a0ec9

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

Change charge logging level to `logging.DEBUG`#1487

Change charge logging level to `logging.DEBUG`#1487
mattwthompson wants to merge 8 commits intomainfrom
charge-logging-debug

mattwthompson commented Apr 16, 2026 •

edited

Loading

Uh oh!

codecov Bot commented Apr 16, 2026 •

edited

Loading

Uh oh!

j-wags left a comment

Uh oh!

Uh oh!

j-wags Apr 23, 2026

Uh oh!

mattwthompson Apr 24, 2026

Uh oh!

Reviewers

Assignees

Labels

Projects

Milestone

Development

Uh oh!

2 participants

		logging.basicConfig(level=logging.INFO)
		logger = logging.getLogger("openff.interchange").setLevel(logging.DEBUG)

Conversation

mattwthompson commented Apr 16, 2026 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Description

Checklist

Uh oh!

codecov Bot commented Apr 16, 2026 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Codecov Report

Uh oh!

j-wags left a comment

Choose a reason for hiding this comment

Uh oh!

Uh oh!

j-wags Apr 23, 2026

Choose a reason for hiding this comment

Uh oh!

mattwthompson Apr 24, 2026

Choose a reason for hiding this comment

Uh oh!

Reviewers

Assignees

Labels

Projects

Milestone

Development

Uh oh!

2 participants

mattwthompson commented Apr 16, 2026 •

edited

Loading

codecov Bot commented Apr 16, 2026 •

edited

Loading