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.
|
-
Property mode
set to
100644
|
File size:
1.1 KB
|
Line | |
---|
1 | import pyMoleCuilder as mol
|
---|
2 | import re, os, sys
|
---|
3 |
|
---|
4 | cmds = filter(lambda s: (s[0] != '_') and (s[0:11] != "PythonType_"), dir(mol))
|
---|
5 |
|
---|
6 | # read options.dat
|
---|
7 |
|
---|
8 | Defaults = {}
|
---|
9 |
|
---|
10 | with open('options.dat') as f:
|
---|
11 | for line in f:
|
---|
12 | if len(line) > 0 and line[0] != '#':
|
---|
13 | try:
|
---|
14 | key, value = line.split('\t', 1)
|
---|
15 | except ValueError:
|
---|
16 | print "line needs two values, tab-separated: "+line
|
---|
17 | sys.exit(1)
|
---|
18 | value = value[1:-2] # remove quotes
|
---|
19 |
|
---|
20 | Defaults[key] = value
|
---|
21 |
|
---|
22 | Allparams = []
|
---|
23 |
|
---|
24 | def CheckParameters(docstring):
|
---|
25 | result = 0
|
---|
26 | params = re.findall(r'\(str\)([-_a-zA-Z0-9]*)', docstring)
|
---|
27 |
|
---|
28 | for param in params:
|
---|
29 | if not param in Allparams:
|
---|
30 | Allparams.append(param)
|
---|
31 |
|
---|
32 | if not param in Defaults:
|
---|
33 | print >> sys.stderr, param # write missing default value to stderr
|
---|
34 | result = 1
|
---|
35 |
|
---|
36 | return result
|
---|
37 |
|
---|
38 | result = 0
|
---|
39 |
|
---|
40 | for cmd in cmds:
|
---|
41 | print "Checking on %s" % cmd
|
---|
42 | doc = eval('mol.%s.__doc__' % cmd)
|
---|
43 | if CheckParameters(doc) == 1:
|
---|
44 | result = 1
|
---|
45 |
|
---|
46 | sys.exit(result)
|
---|
Note:
See
TracBrowser
for help on using the repository browser.