Exemple #1
0
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
Exemple #3
0
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)