Candidate_v1.6.1
Last change
on this file was f5ea10, checked in by Frederik Heber <frederik.heber@…>, 7 years ago |
Added Graph6Reader, extended BoostGraphCreator, added ChemicalSpaceEvaluatorAction.
- added visible generateAllInducedSubgraphs to Extractors.
- TESTS: due to new option "graph6" containing a digit we needed to modify
moltest_check.py to also scan for digits and not just letters.
- DOCU: Added evaluate-chemical-space to userguide.
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Property mode
set to
100644
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File size:
1.1 KB
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[5ab796] | 1 | import pyMoleCuilder as mol
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| 2 | import re, os, sys
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| 3 |
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| 4 | cmds = filter(lambda s: (s[0] != '_') and (s[0:11] != "PythonType_"), dir(mol))
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| 5 |
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| 6 | # read options.dat
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| 7 |
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| 8 | Defaults = {}
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| 9 |
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| 10 | with open('options.dat') as f:
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| 11 | for line in f:
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| 12 | if len(line) > 0 and line[0] != '#':
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[61c364] | 13 | try:
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| 14 | key, value = line.split('\t', 1)
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| 15 | except ValueError:
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| 16 | print "line needs two values, tab-separated: "+line
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| 17 | sys.exit(1)
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[5ab796] | 18 | value = value[1:-2] # remove quotes
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| 19 |
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| 20 | Defaults[key] = value
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| 21 |
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| 22 | Allparams = []
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| 23 |
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| 24 | def CheckParameters(docstring):
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| 25 | result = 0
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[f5ea10] | 26 | params = re.findall(r'\(str\)([-_a-zA-Z0-9]*)', docstring)
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[5ab796] | 27 |
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| 28 | for param in params:
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| 29 | if not param in Allparams:
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| 30 | Allparams.append(param)
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| 31 |
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| 32 | if not param in Defaults:
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| 33 | print >> sys.stderr, param # write missing default value to stderr
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| 34 | result = 1
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| 35 |
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| 36 | return result
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| 37 |
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| 38 | result = 0
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| 39 |
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| 40 | for cmd in cmds:
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| 41 | print "Checking on %s" % cmd
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| 42 | doc = eval('mol.%s.__doc__' % cmd)
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| 43 | if CheckParameters(doc) == 1:
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| 44 | result = 1
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| 45 |
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| 46 | sys.exit(result)
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