Commit 532f2bd6 authored by Robert McGibbon's avatar Robert McGibbon
Browse files

Update some docstrings

parent 5246ed6a
# __author__ = "Peter Eastman"
"""
setup.py: Used for building python wrappers for Simbios' OpenMM library.
"""
__author__ = "Randall J. Radmer"
__version__ = "1.0" __version__ = "1.0"
import ast import ast
...@@ -159,11 +154,11 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM, ...@@ -159,11 +154,11 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM,
setupKeywords["description"] = \ setupKeywords["description"] = \
"Python wrapper for OpenMM (a C++ MD package)" "Python wrapper for OpenMM (a C++ MD package)"
setupKeywords["long_description"] = \ setupKeywords["long_description"] = \
"""OpenMM is a library which provides tools for modern molecular """OpenMM is a toolkit for molecular simulation. It can be used either as a
modeling simulation. As a library it can be hooked into any code, stand-alone application for running simulations, or as a library you call
allowing that code to do molecular modeling with minimal extra from your own code. It provides a combination of extreme flexibility
coding (https://simtk.org/home/openmm). This Python package (through custom forces and integrators), openness, and high performance
gives access to the OpenMM API. (especially on recent GPUs) that make it truly unique among simulation codes.
""" """
define_macros = [('MAJOR_VERSION', major_version_num), define_macros = [('MAJOR_VERSION', major_version_num),
......
"""OpenMM is a toolkit for molecular simulation. It can be used either as a
stand-alone application for running simulations, or as a library you call
from your own code. It provides a combination of extreme flexibility
(through custom forces and integrators), openness, and high performance
(especially on recent GPUs) that make it truly unique among simulation codes.
""" """
Package simtk.openmm __author__ = "Peter Eastman"
This package wraps the simtk.openmm.openmm module.
When imported, it loads the swig module and then does some magic
to make the POSIX function "dlopen" work on Linux.
It also tries to load any plugin modules it can find.
"""
__author__ = "Randall J. Radmer"
import os, os.path import os, os.path
import sys import sys
......
%define DOCSTRING
"PyOpenMM is a Python application programming interface (API) to be
used for performing molecular dynamics (MD) simulations on various
computer architectures (including GPUs). It is implemented in Python
and C/C++, and provides a Python interface to the OpenMM libraries
(see https://simtk.org/home/openmm for OpenMM details). The primary
motivation for creating PyOpenMM is to make it possible to write
GPU-accelerated MD code in pure Python.
See https://simtk.org/home/pyopenmm for details"
%enddef
%module (docstring=DOCSTRING) openmm
%include "factory.i" %include "factory.i"
%include "std_string.i" %include "std_string.i"
%include "std_iostream.i" %include "std_iostream.i"
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment