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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5320 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-11-24 20:45:17 +00:00
parent 509fe6fe17
commit 5d199c90cd
1 changed files with 21 additions and 9 deletions
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30
python/examples/pizza/vmd.py
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@ -1,13 +1,20 @@
# Pizza.py toolkit, www.cs.sandia.gov/~sjplimp/pizza.html
# Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
#
# Minimalistic VMD embedding for Pizza.py
#
# This class will replace the VMD startup script,
# open a pipe to the executable, and feed it Tcl
# command lines one at a time.
#
# (c) 2010 Axel Kohlmeyer <akohlmey@gmail.com>
# Copyright (2005) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
# certain rights in this software. This software is distributed under
# the GNU General Public License.
oneline = "Control VMD from python."
# vmd tool
# Minimalistic VMD embedding for Pizza.py
# (c) 2010 Axel Kohlmeyer <akohlmey@gmail.com>
# This class will replace the VMD startup script,
# open a pipe to the executable,
# and feed it Tcl command lines one at a time
oneline = "Control VMD from python"
docstr = """
v = vmd() start up VMD
@ -30,6 +37,9 @@ v.enter() enter interactive shell
v.debug([True|False]) display generated VMD script commands?
"""
# History
# 11/10, Axel Kohlmeyer (Temple U): original version
# Imports and external programs
import types, os
@ -46,8 +56,10 @@ except: PIZZA_VMDARCH = "LINUX"
try: import pexpect
except:
print "pexpect from http://pypi.python.org/pypi/pexpect/ is required for vmd module"
print "pexpect from http://pypi.python.org/pypi/pexpect", \
"is required for vmd tool"
raise
# Class definition
class vmd: