def getVMDpath():
"""Return VMD path set by user or one identified automatically."""
path = SETTINGS.get('vmd', None)
if isExecutable(path):
return path
else:
LOGGER.warning('VMD path is not set by user, looking for it.')
from types import StringType, UnicodeType
vmdbin = None
vmddir = None
if PLATFORM == 'Windows':
import _winreg
for vmdversion in ('1.8.7', '1.9', '1.9.1'):
try:
key = _winreg.OpenKey(_winreg.HKEY_LOCAL_MACHINE,
'Software\\University of Illinois\\VMD\\' +
vmdversion)
vmddir = _winreg.QueryValueEx(key, 'VMDDIR')[0]
vmdbin = os.path.join(vmddir, 'vmd.exe')
except:
pass
try:
key = _winreg.OpenKey(_winreg.HKEY_LOCAL_MACHINE,
'Software\\WOW6432node\\University of Illinois\\VMD\\' +
vmdversion)
vmddir = _winreg.QueryValueEx(key, 'VMDDIR')[0]
vmdbin = os.path.join(vmddir, 'vmd.exe')
except:
pass
else:
vmdbin = which('vmd')
if False:
pipe = os.popen('which vmd')
vmdbin = pipe.next().strip()
vmdfile = open(vmdbin)
for line in vmdfile:
if line.startswith('defaultvmddir='):
vmddir = line.split('=')[1].replace('"', '')
break
vmdfile.close()
if False and \
isinstance(vmdbin, (StringType, UnicodeType)) and \
isinstance(vmddir, (StringType, UnicodeType)) and \
os.path.isfile(vmdbin) and os.path.isdir(vmddir):
pass#return vmdbin, vmddir
if isExecutable(vmdbin):
setVMDpath(vmdbin)
return vmdbin
def setVMDpath(path):
"""Set path to a VMD executable."""
if isExecutable(path):
SETTINGS['vmd'] = path
SETTINGS.save()
LOGGER.info("VMD path is set to '{0:s}'.".format(path))
else:
raise OSError('{0:s} is not executable.'.format(str(path)))