ForceAnnealing_goodresults
ForceAnnealing_tocheck
| 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-Z]*)', 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.