Expose setting of integrator variables to standardize.
@@ -435,7 +435,7 @@ class ContextCache(object):
# Each element is the name of the integrator attribute used before
# get/set, and its standard value used to check for compatibility.
- _COMPATIBLE_INTEGRATOR_ATTRIBUTES = {
+ COMPATIBLE_INTEGRATOR_ATTRIBUTES = {
'StepSize': 0.001,
'ConstraintTolerance': 1e-05,
'Temperature': 273,
@@ -465,7 +465,7 @@ class ContextCache(object):
integrators.ThermostatedIntegrator.restore_interface(integrator)
integrators.ThermostatedIntegrator.restore_interface(copied_integrator)
- for attribute in cls._COMPATIBLE_INTEGRATOR_ATTRIBUTES:
+ for attribute in cls.COMPATIBLE_INTEGRATOR_ATTRIBUTES:
try: # getter/setter
value = getattr(copied_integrator, 'get' + attribute)()
except AttributeError:
@@ -490,7 +490,7 @@ class ContextCache(object):
"""
standard_integrator = copy.deepcopy(integrator)
integrators.RestorableIntegrator.restore_interface(standard_integrator)
- for attribute, std_value in cls._COMPATIBLE_INTEGRATOR_ATTRIBUTES.items():
+ for attribute, std_value in cls.COMPATIBLE_INTEGRATOR_ATTRIBUTES.items():
try: # setter
getattr(standard_integrator, 'set' + attribute)(std_value)
except AttributeError:
