From 95a2ed34438febd7b29184f278d2f1e402a31c8b Mon Sep 17 00:00:00 2001 From: Christoph Kords Date: Tue, 13 Mar 2012 14:08:09 +0000 Subject: [PATCH] added ability to add "damask option" to input file --- processing/pre/marc_addUserOutput.py | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/processing/pre/marc_addUserOutput.py b/processing/pre/marc_addUserOutput.py index 53344e1e7..35fc48c37 100755 --- a/processing/pre/marc_addUserOutput.py +++ b/processing/pre/marc_addUserOutput.py @@ -65,11 +65,15 @@ parser.add_option('--use', dest='useFile', type='string', \ help='Optionally parse output descriptors from '+ 'different .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: