Commit bfb579ac authored by Jason Swails's avatar Jason Swails
Browse files

Hopefully improve the docstring so the generated docs will improve

See http://docs.openmm.org/development/api-python/generated/simtk.openmm.mtsintegrator.MTSIntegrator.html#
for the rendered results that are less than ideal.
parent 14cdc9ae
...@@ -47,9 +47,9 @@ class MTSIntegrator(CustomIntegrator): ...@@ -47,9 +47,9 @@ class MTSIntegrator(CustomIntegrator):
of the force group and the frequency (as a fraction of the outermost time step) at of the force group and the frequency (as a fraction of the outermost time step) at
which to evaluate it. For example: which to evaluate it. For example:
<pre> ```
integrator = MTSIntegrator(4*femtoseconds, [(0,1), (1,2), (2,8)]) integrator = MTSIntegrator(4*femtoseconds, [(0,1), (1,2), (2,8)])
</pre> ```
This specifies that the outermost time step is 4 fs, so each step of the integrator This specifies that the outermost time step is 4 fs, so each step of the integrator
will advance time by that much. It also says that force group 0 should be evaluated will advance time by that much. It also says that force group 0 should be evaluated
...@@ -62,11 +62,11 @@ class MTSIntegrator(CustomIntegrator): ...@@ -62,11 +62,11 @@ class MTSIntegrator(CustomIntegrator):
own force group, and then creates an integrator that evaluates them once every 4 fs, own force group, and then creates an integrator that evaluates them once every 4 fs,
but all other interactions every 2 fs. but all other interactions every 2 fs.
<pre> ```
nonbonded = [f for f in system.getForces() if isinstance(f, NonbondedForce)][0] nonbonded = [f for f in system.getForces() if isinstance(f, NonbondedForce)][0]
nonbonded.setReciprocalSpaceForceGroup(1) nonbonded.setReciprocalSpaceForceGroup(1)
integrator = MTSIntegrator(4*femtoseconds, [(1,1), (0,2)]) integrator = MTSIntegrator(4*femtoseconds, [(1,1), (0,2)])
</pre> ```
For details, see Tuckerman et al., J. Chem. Phys. 97(3) pp. 1990-2001 (1992). For details, see Tuckerman et al., J. Chem. Phys. 97(3) pp. 1990-2001 (1992).
""" """
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