def __init__(self, path, args):
super(ChallengeDataTask, self).__init__(path, args)
self.set_name('challengedata')
# Make stage number one higher then BlastNFilter Stage
blast = BlastNFilterTask(path, args)
self.set_stage(blast.get_stage() + 1)
self.set_status(D3RTask.UNKNOWN_STATUS)
self._challenge_tarball_filename = None
self._week_num = util.get_celpp_week_number_from_path(self.get_path())
self._year = util.get_celpp_year_from_path(self.get_dir())
def test_get_celpp_week_number_from_path(self):
try:
util.get_celpp_week_number_from_path(None)
self.fail('Expected exception')
except Exception:
pass
# try with empty string
foo = util.get_celpp_week_number_from_path('')
self.assertEqual(foo, '0')
# try with path missing dataset.week. prefix
foo = util.get_celpp_week_number_from_path('/h/b/hi')
self.assertEqual(foo, '0')
# try with valid path
foo = util.get_celpp_week_number_from_path('/h/b/' +
util.DATA_SET_WEEK_PREFIX +
'7')
self.assertEqual(foo, '7')
foo = util.get_celpp_week_number_from_path('/h/b/' +
util.DATA_SET_WEEK_PREFIX +
'12')
self.assertEqual(foo, '12')
def _generate_external_submission_email_body(self, etask):
"""Creates body of email and subject
:returns subject,body: as strings
"""
weekno = util.get_celpp_week_number_from_path(etask.get_path())
msg = 'Dear CELPP Participant,\n\nHere are your docking ' \
'evaluation results (RMSD, Angstroms) for CELPP week ' +\
str(weekno) + '\n\n'
msg += etask.get_evaluation_summary()
msg += '\n\nSincerely,\n\nCELPP Automation'
guid = etask.get_guid_for_task()
subject = (D3RTask.SUBJECT_LINE_PREFIX + 'Week ' + str(weekno) +
' evaluation results for ' + str(guid))
return subject, msg
def _generate_post_evaluation_email_body(self, petask):
"""Creates body of email and subject
:returns subject,body: as strings
"""
weekno = util.get_celpp_week_number_from_path(petask.get_path())
year = util.get_celpp_year_from_path(petask.get_path())
msg = ('Dear CELPP Admin,\n\nHere is the post evaluation ' +
'summary reports for CELPP week ' + str(weekno) + '\n\n')
msg += petask.get_postevaluation_summary()
msg += '\n\nSincerely,\n\nCELPP Automation'
subject = (D3RTask.SUBJECT_LINE_PREFIX + str(year) + ' ' + 'week ' +
str(weekno) + ' post evaluation summary report')
return subject, msg
def _generate_external_submission_email_body(self, etask):
"""Creates body of email and subject
:returns subject,body: as strings
"""
weekno = util.get_celpp_week_number_from_path(etask.get_path())
msg = 'Dear CELPP Participant,\n\nHere are your docking ' \
'evaluation results as RMSD in Angstroms for CELPP week ' +\
str(weekno) + '\n\n'
msg += ('Note: The value in (parentheses) by each RMSD is the ' +
'distance, in Angstroms, between submitted ligand center ' +
'of mass and the crystal ligand center of mass. The final '
'column is the distance between CELPP-provided pocket '
'center and the crystal ligand center of mass.\n\n')
msg += etask.get_evaluation_summary()
msg += ('\n\nSincerely,\n\nCELPP Automation ' +
etask.get_program_version())
guid = etask.get_guid_for_task()
subject = (D3RTask.SUBJECT_LINE_PREFIX + 'Week ' + str(weekno) +
' evaluation results for ' + str(guid))
return subject, msg
def get_week_number(self):
"""Parses path for week number
:returns: week number as string
"""
return util.get_celpp_week_number_from_path(os.path.dirname(
self._path))
