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