Changed camel case to more pythonic naming
@@ -1543,7 +1543,7 @@ class AlchemicalLangevinSplittingIntegrator(LangevinSplittingIntegrator):
measure_heat=measure_heat,
)
- def addUpdateAlchemicalParametersStep(self):
+ def update_alchemical_parameters_step(self):
"""
Update Context parameters according to provided functions.
"""
@@ -1551,7 +1551,7 @@ class AlchemicalLangevinSplittingIntegrator(LangevinSplittingIntegrator):
if context_parameter in self._system_parameters:
self.addComputeGlobal(context_parameter, self._alchemical_functions[context_parameter])
- def addAlchemicalPerturbationStep(self):
+ def alchemical_perturbation_step(self):
"""
Add alchemical perturbation step, accumulating protocol work.
"""
@@ -1565,7 +1565,7 @@ class AlchemicalLangevinSplittingIntegrator(LangevinSplittingIntegrator):
self.addComputeGlobal('lambda', '(nsteps - step - 1)/nsteps')
# Update all slaved alchemical parameters
- self.addUpdateAlchemicalParametersStep()
+ self.update_alchemical_parameters_step()
# Accumulate protocol work
self.addComputeGlobal("Enew", "energy")
@@ -1609,7 +1609,7 @@ class AlchemicalLangevinSplittingIntegrator(LangevinSplittingIntegrator):
force_group = step_string[1:]
self.V_step(force_group, measure_shadow_work, force_group_nV, mts)
elif step_string == "H":
- self.addAlchemicalPerturbationStep()
+ self.alchemical_perturbation_step()
def addGlobalVariables(self, nsteps):
"""
