def generateEntry(reaction, kinetics, index, ci):
"""
Return a string containing the reaction and its recommended kinetics in a
format suitable for putting in the training set.
"""
import StringIO
longDesc = ""
entry = Entry(
index=index,
item=forwardReaction,
data=kinetics,
reference=None,
referenceType="review",
shortDesc=
"Recommended value based on evaluation of {0:d} kinetics entries. log(CI) = {1:.3f}"
.format(len(forwardKinetics), ci),
longDesc=longDesc,
)
f = StringIO.StringIO()
saveEntry(f, entry)
string = f.getvalue()
f.close()
return string
def generateEntry(reaction, kinetics, index, ci):
"""
Return a string containing the reaction and its recommended kinetics in a
format suitable for putting in the training set.
"""
import StringIO
longDesc = ""
entry = Entry(
index = index,
item = forwardReaction,
data = kinetics,
reference = None,
referenceType = "review",
shortDesc = "Recommended value based on evaluation of {0:d} kinetics entries. log(CI) = {1:.3f}".format(len(forwardKinetics), ci),
longDesc = longDesc,
)
f = StringIO.StringIO()
saveEntry(f, entry)
string = f.getvalue()
f.close()
return string
def rewrite(entries, name):
file = os.path.join(settings['database.directory'], 'kinetics/families',
'{0}.py'.format(name))
open(file, 'w').write('#!/usr/bin/env python\n'
'# encoding: utf-8\n\n'
'name = "{0}"\n'.format(name) + 'shortDesc = u""\n'
'longDesc = u"""\n\n"""\n'
'recommended = False\n\n')
index = 0
for entry in entries:
index += 1
entry.index = index
saveEntry(open(file, 'a'), entry)
def rewrite(entries, name):
file = os.path.join(settings['database.directory'], 'kinetics/families',
'{0}.py'.format(name))
open(file, 'w').write('#!/usr/bin/env python\n'
'# encoding: utf-8\n\n'
'name = "{0}"\n'.format(name) +
'shortDesc = u""\n'
'longDesc = u"""\n\n"""\n'
'recommended = False\n\n')
index = 0
for entry in entries:
index += 1
entry.index = index
saveEntry(open(file, 'a'), entry)
