added ability to add "damask option" to input file
This commit is contained in:
parent
433d8a338c
commit
95a2ed3443
|
@ -65,11 +65,15 @@ parser.add_option('--use', dest='useFile', type='string', \
|
|||
help='Optionally parse output descriptors from '+
|
||||
'different <model_job>.outputZZZ file. Saves the effort '+
|
||||
'to start a calculation for each job [%default])')
|
||||
parser.add_option('--option', dest='damaskOption', type='string', \
|
||||
help='Add damask option to input file '+
|
||||
'for example: "periodic x z" [%default]')
|
||||
parser.set_defaults(number = 0)
|
||||
parser.set_defaults(homog = '1')
|
||||
parser.set_defaults(cryst = '1')
|
||||
parser.set_defaults(phase = '1')
|
||||
parser.set_defaults(useFile = '')
|
||||
parser.set_defaults(damaskOption = '')
|
||||
|
||||
(options, files) = parser.parse_args()
|
||||
|
||||
|
@ -136,6 +140,8 @@ for file in files:
|
|||
inFile.close()
|
||||
output = open(file,'w')
|
||||
thisSection = ''
|
||||
if options.damaskOption:
|
||||
output.write('$damask {0}\n'.format(options.damaskOption))
|
||||
for line in input:
|
||||
m = re.match('(\w+)\s',line)
|
||||
if m:
|
||||
|
|
Loading…
Reference in New Issue