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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-22 22:57:54 +00:00
parent 2f936d5e56
commit 778f4d338c
22 changed files with 694 additions and 246 deletions
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19
python/examples/pizza/vmd.py
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@ -6,6 +6,9 @@
# certain rights in this software. This software is distributed under
# the GNU General Public License.
# for python3 compatibility
from __future__ import print_function
# vmd tool
# Minimalistic VMD embedding for Pizza.py
@ -52,7 +55,7 @@ except: PIZZA_VMDDIR = "/usr/local/lib/vmd"
try: from DEFAULTS import PIZZA_VMDDEV
except: PIZZA_VMDDEV = "win"
try: from DEFAULTS import PIZZA_VMDARCH
except: PIZZA_VMDARCH = "LINUX"
except: PIZZA_VMDARCH = "LINUXAMD64"
# try these settings for a Mac
#PIZZA_VMDNAME = "vmd"
@ -62,8 +65,8 @@ except: PIZZA_VMDARCH = "LINUX"
try: import pexpect
except:
print "pexpect from http://pypi.python.org/pypi/pexpect", \
"is required for vmd tool"
print("pexpect from http://pypi.python.org/pypi/pexpect", \
"is required for vmd tool")
raise
# Class definition
@ -109,7 +112,7 @@ class vmd:
self.VMD.sendline(command)
self.VMD.expect('vmd >')
if self.debugme:
print "call+result:"+self.VMD.before
print("call+result:"+self.VMD.before)
return
# --------------------------------------------------------------------
@ -127,9 +130,9 @@ class vmd:
# turn on debugging info
def debug(self,status=True):
if status and not self.debugme:
print 'Turning vmd.py debugging ON.'
print('Turning vmd.py debugging ON.')
if not status and self.debugme:
print 'Turning vmd.py debugging OFF.'
print('Turning vmd.py debugging OFF.')
self.debugme = status
# --------------------------------------------------------------------
@ -141,14 +144,14 @@ class vmd:
try:
command = raw_input("vmd > ")
except EOFError:
print "(EOF)"
print("(EOF)")
self.__call__('menu main off')
return
if command == "quit" or command == "exit":
self.__call__('menu main off')
return
if command == "gopython":
print "gopython not supported here"
print("gopython not supported here")
continue
self.__call__(command)