Commit 1db3314e authored by Robert McGibbon's avatar Robert McGibbon
Browse files

Code review -- Python docstring fixes

parent a1953312
...@@ -97,16 +97,11 @@ class CheckpointReporter(object): ...@@ -97,16 +97,11 @@ class CheckpointReporter(object):
Returns Returns
------- -------
int tuple
The number of steps until the A five element tuple. The first element is the number of steps
bool until the next report. The remaining elements specify whether
Requires positions that report will require positions, velocities, forces, and
bool energies respectively.
Requires velocities
bool
Requires forces
bool
Requires energies
""" """
steps = self._reportInterval - simulation.currentStep%self._reportInterval steps = self._reportInterval - simulation.currentStep%self._reportInterval
return (steps, False, False, False, False) return (steps, False, False, False, False)
......
...@@ -66,16 +66,11 @@ class DCDReporter(object): ...@@ -66,16 +66,11 @@ class DCDReporter(object):
Returns Returns
------- -------
int tuple
The number of steps until the A five element tuple. The first element is the number of steps
bool until the next report. The remaining elements specify whether
Requires positions that report will require positions, velocities, forces, and
bool energies respectively.
Requires velocities
bool
Requires forces
bool
Requires energies
""" """
steps = self._reportInterval - simulation.currentStep%self._reportInterval steps = self._reportInterval - simulation.currentStep%self._reportInterval
return (steps, True, False, False, False) return (steps, True, False, False, False)
......
...@@ -186,15 +186,14 @@ class Modeller(object): ...@@ -186,15 +186,14 @@ class Modeller(object):
def convertWater(self, model='tip3p'): def convertWater(self, model='tip3p'):
"""Convert all water molecules to a different water model. """Convert all water molecules to a different water model.
@deprecated Use addExtraParticles() instead. It performs the same
function but in a more general way.
Parameters Parameters
---------- ----------
model : string='tip3p' model : string='tip3p'
the water model to convert to. Supported values are 'tip3p', the water model to convert to. Supported values are 'tip3p',
'spce', 'tip4pew', and 'tip5p'. 'spce', 'tip4pew', and 'tip5p'.
@deprecated Use addExtraParticles() instead. It performs the same
function but in a more general way.
""" """
if model in ('tip3p', 'spce'): if model in ('tip3p', 'spce'):
sites = 3 sites = 3
......
...@@ -66,16 +66,11 @@ class PDBReporter(object): ...@@ -66,16 +66,11 @@ class PDBReporter(object):
Returns Returns
------- -------
int tuple
The number of steps until the A five element tuple. The first element is the number of steps
bool until the next report. The remaining elements specify whether
Requires positions that report will require positions, velocities, forces, and
bool energies respectively.
Requires velocities
bool
Requires forces
bool
Requires energies
""" """
steps = self._reportInterval - simulation.currentStep%self._reportInterval steps = self._reportInterval - simulation.currentStep%self._reportInterval
return (steps, True, False, False, False) return (steps, True, False, False, False)
......
...@@ -159,16 +159,11 @@ class StateDataReporter(object): ...@@ -159,16 +159,11 @@ class StateDataReporter(object):
Returns Returns
------- -------
int tuple
The number of steps until the A five element tuple. The first element is the number of steps
bool until the next report. The remaining elements specify whether
Requires positions that report will require positions, velocities, forces, and
bool energies respectively.
Requires velocities
bool
Requires forces
bool
Requires energies
""" """
steps = self._reportInterval - simulation.currentStep%self._reportInterval steps = self._reportInterval - simulation.currentStep%self._reportInterval
return (steps, self._needsPositions, self._needsVelocities, self._needsForces, self._needEnergy) return (steps, self._needsPositions, self._needsVelocities, self._needsForces, self._needEnergy)
......
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