def add_target(options, engines, weight=1, stage='private'):
""" Add a target.
:param options: dict, describing target's options.
:param engine: list, eg. ["openmm_60_opencl", "openmm_50_cuda"]
:param stage: str, stage of the target, allowed values are 'disabled',
'private', 'public'
:param weight: int, the weight of the target relative to your other targets
"""
body = {}
body['options'] = options
body['engines'] = engines
assert type(engines) == list
body['stage'] = stage
body['weight'] = weight
url = 'https://' + login_cc + '/targets'
global auth_token
headers = {'Authorization': auth_token}
reply = requests.post(url,
data=json.dumps(body),
verify=is_domain(login_cc),
headers=headers)
if reply.status_code != 200:
print(reply.status_code, reply.text)
raise Exception('Cannot add target')
target_id = reply.json()['target_id']
target = Target(target_id)
return target
def add_stream(self, files, scv, tags=None):
""" Add a stream to the target belonging to a particular scv.
:param files: dict, filenames and binaries matching the core's
requirements.
:param scv: str, which particular SCV to add the stream to.
:param tags: dict, a dictionary of tag files to include, such as pdbs
"""
assert isinstance(files, dict)
body = {
'target_id': self.id,
'files': files,
}
if tags:
body['tags'] = tags
if scv:
global scvs
global auth_token
refresh_scvs()
url = 'https://' + scvs[scv]['host'] + '/streams'
headers = {'Authorization': auth_token}
reply = requests.post(url,
headers=headers,
data=json.dumps(body),
verify=is_domain(self.uri))
else:
reply = self._post('/streams', json.dumps(body))
if reply.status_code != 200:
print(reply.text)
raise Exception('Bad status code')
else:
return Stream(json.loads(reply.text)['stream_id'])
def list_engines():
global login_cc
global auth_token
url = 'https://' + login_cc + '/engines/keys'
headers = {'Authorization': auth_token}
reply = requests.get(url, verify=is_domain(login_cc), headers=headers)
if reply.status_code != 200:
raise Exception('Cannot get engines')
def _get(self, path, host=None, headers=None, timeout=2):
if headers is None:
headers = {}
headers['Authorization'] = auth_token
if host is None:
host = self.uri
url = 'https://' + host + path
return requests.get(url,
headers=headers,
verify=is_domain(self.uri),
timeout=timeout)
def _put(self, path, body=None, headers=None):
if headers is None:
headers = {}
headers['Authorization'] = auth_token
url = 'https://' + self.uri + path
if body is None:
body = '{}'
return requests.put(url,
headers=headers,
data=body,
verify=is_domain(self.uri),
timeout=2)
def login(token, cc='cc.proteneer.com'):
""" Login to a particular command center using your token. """
url = 'https://' + cc + '/users/verify'
headers = {'Authorization': token}
reply = requests.get(url, verify=is_domain(cc), headers=headers)
if reply.status_code != 200:
print(reply.content)
global auth_token
auth_token = token
global login_cc
login_cc = cc
refresh_scvs()
def list_targets():
""" Return a list of targets. """
global login_cc
global auth_token
url = 'https://' + login_cc + '/targets'
headers = {'Authorization': auth_token}
reply = requests.get(url, verify=is_domain(login_cc), headers=headers)
if reply.status_code != 200:
raise Exception('Cannot list targets')
target_ids = reply.json()['targets']
targets = []
for target_id in target_ids:
targets.append(Target(target_id))
return targets
def refresh_scvs():
""" Update and return the status of the SCVs. This method is rate limited
to once every 2 seconds. """
global scvs
global last_scvs_refresh
global login_cc
if time.time() - last_scvs_refresh > 1:
url = 'https://' + login_cc + '/scvs/status'
reply = requests.get(url, verify=is_domain(login_cc))
print('REFRESH SCVS called:', reply, reply.status_code, reply.content)
if reply.status_code == 200:
content = reply.json()
for scv_name, scv_prop in content.items():
# sets host and status fields
scvs[scv_name] = scv_prop
last_scvs_refresh = time.time()