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25 changes: 25 additions & 0 deletions news/fix-setup-messages.rst
Original file line number Diff line number Diff line change
@@ -0,0 +1,25 @@
**Added:**

* <news item>

**Changed:**

* <news item>

**Deprecated:**

* <news item>

**Removed:**

* <news item>

**Fixed:**

* Fix erroneous logging information message which would mention
setting up the alchemical system when running simulation or
analysis units with the hybrid topology, AHFE or ABFE Protocols (PR #1915).

**Security:**

* <news item>
12 changes: 9 additions & 3 deletions src/openfe/protocols/openmm_afe/base_afe_units.py
Original file line number Diff line number Diff line change
Expand Up @@ -111,9 +111,6 @@ def _prepare(
"""
self.verbose = verbose

if self.verbose:
self.logger.info("setting up alchemical system") # type: ignore[attr-defined]

# set basepaths
def _set_optional_path(basepath):
if basepath is None:
Expand Down Expand Up @@ -691,6 +688,9 @@ def run(
# General preparation tasks
self._prepare(verbose, scratch_basepath, shared_basepath)

if self.verbose:
self.logger.info("Starting system setup unit")

# Get components
alchem_comps, solv_comp, prot_comp, small_mols = self._get_components()

Expand Down Expand Up @@ -1396,6 +1396,9 @@ def run(
# Prepare paths & verbosity
self._prepare(verbose, scratch_basepath, shared_basepath)

if self.verbose:
self.logger.info("Starting simulation unit")

# Get the settings
settings = self._get_settings()

Expand Down Expand Up @@ -1635,6 +1638,9 @@ def run(
# Prepare paths & verbosity
self._prepare(verbose, scratch_basepath, shared_basepath)

if self.verbose:
self.logger.info("Starting simulation analysis unit")

# Get the settings
settings = self._get_settings()

Expand Down
12 changes: 9 additions & 3 deletions src/openfe/protocols/openmm_rfe/hybridtop_units.py
Original file line number Diff line number Diff line change
Expand Up @@ -102,9 +102,6 @@ def _prepare(
"""
self.verbose = verbose

if self.verbose:
self.logger.info("Setting up the hybrid topology simulation") # type: ignore[attr-defined]

# set basepaths
def _set_optional_path(basepath):
if basepath is None:
Expand Down Expand Up @@ -736,6 +733,9 @@ def run(
# Prepare paths & verbosity
self._prepare(verbose, scratch_basepath, shared_basepath)

if self.verbose:
self.logger.info("Starting system setup unit")

# Get settings
settings = self._get_settings(self._inputs["protocol"].settings)

Expand Down Expand Up @@ -1303,6 +1303,9 @@ def run(
# Prepare paths & verbosity
self._prepare(verbose, scratch_basepath, shared_basepath)

if self.verbose:
self.logger.info("Starting simulation unit")

# Get the settings
settings = self._get_settings(self._inputs["protocol"].settings)

Expand Down Expand Up @@ -1604,6 +1607,9 @@ def run(
# Prepare paths & verbosity
self._prepare(verbose, scratch_basepath, shared_basepath)

if self.verbose:
self.logger.info("Starting simulation analysis unit")
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# Get the settings
settings = self._get_settings(self._inputs["protocol"].settings)

Expand Down
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