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2 changes: 2 additions & 0 deletions doc/source/changelog.rst
Original file line number Diff line number Diff line change
Expand Up @@ -25,6 +25,8 @@ organisation on `GitHub <https://github.com/openbiosim/sire>`__.

* Fix recursion bug in :func:`sire.base.wrap()` function.

* Fix :meth:`Dynamics.get_rest2_scale()` method.

`2025.3.0 <https://github.com/openbiosim/sire/compare/2025.2.0...2025.3.0>`__ - November 2025
---------------------------------------------------------------------------------------------

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17 changes: 9 additions & 8 deletions src/sire/mol/_dynamics.py
Original file line number Diff line number Diff line change
Expand Up @@ -762,6 +762,15 @@ def integrator(self):
else:
return self._omm_mols.getIntegrator()

def get_rest2_scale(self):
"""
Return the current REST2 scaling factor.
"""
if self.is_null():
return None
else:
return self._omm_mols.get_rest2_scale()

def info(self):
if self.is_null():
return None
Expand Down Expand Up @@ -1922,16 +1931,8 @@ def get_rest2_scale(self):
"""
Return the current REST2 scaling factor.
"""
if self.is_null():
return None
return self._d.get_rest2_scale()

def set_rest2_scale(self, rest2_scale: float):
"""
Set the current REST2 scaling factor.
"""
self._d.set_rest2_scale(rest2_scale=rest2_scale)

def ensemble(self):
"""
Return the ensemble in which the simulation is being performed
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