Merge branch 'bugfixes' into 'v0.9.0'

Bugfixes

See merge request !185

examples/tutorials/api_with_archive_query.py

+'''
+A simple example used in the NOMAD webinar API tutorial
+'''
+
+from nomad.client import ArchiveQuery
+
+query = ArchiveQuery(
+    url='http://labdev-nomad.esc.rzg.mpg.de/fairdi/nomad/reprocess/api',
+    query={
+        'dft.code_name': 'VASP',
+        'atoms': ['Ti', 'O']
+    },
+    required={
+        'section_run': {
+            'section_single_configuration_calculation[-1]': {
+                'energy_total': '*',
+                'section_dos': '*'
+            }
+        }
+    },
+    parallel=1,
+    max=10)
+
+print(query)
+result = query[0]
+print(result.section_run[0].section_single_configuration_calculation[-1].section_dos[0].dos_energies)

examples/tutorials/api_with_requests.py

+# type: ignore
+
+'''
+A simple example used in the NOMAD webinar API tutorial
+'''
+
+import requests
+import json
+
+base_url = 'http://nomad-lab.eu/prod/rae/api'
+
+# response = requests.get(base_url + '/repo?datasets.name=NOMAD%20webinar')
+response = requests.get(
+    base_url + '/repo',
+    params={'datasets.name': 'NOMAD webinar', 'per_page': 1})
+
+data = response.json()
+upload_id = data['results'][0]['upload_id']
+calc_id = data['results'][0]['calc_id']
+
+response = requests.get(
+    base_url + '/archive/%s/%s' % (upload_id, calc_id))
+
+print(json.dumps(response.json(), indent=2))
+print(
+    response.json()['section_run'][0]['section_single_configuration_calculation'][-1]['section_dos'][0]['dos_energies'])

gui/src/components/ApiDialogButton.js

@@ -58,6 +58,8 @@ export function ApiDialog({title, data, onClose, ...dialogProps}) {
       <DialogTitle>{title || 'API Code'}</DialogTitle>
 
       <DialogContent classes={{root: classes.content}}>
+        { data.code && data.code.repo_url &&
+          renderCode(<span>URL to this query on the repository API:</span>, data.code.repo_url)}
         { data.code && data.code.curl &&
           renderCode(<span>Access the archive as JSON via <i>curl</i>:</span>, data.code.curl)}
         { data.code && data.code.python &&

nomad/app/api/common.py

@@ -121,6 +121,8 @@ search_model_fields = {
         'A list of search results. Each result is a dict with quantitie names as key and '
         'values as values'), allow_null=True, skip_none=True),
     'code': fields.Nested(api.model('Code', {
+        'repo_url': fields.String(description=(
+            'An encoded URL for the search query on the repo api.')),
         'python': fields.String(description=(
             'A piece of python code snippet which can be executed to reproduce the api result.')),
         'curl': fields.String(description=(
@@ -350,7 +352,7 @@ def _query_api_url(*args, query: Dict[str, Any] = None):
         query_string: A dict with query string parameters
     '''
     url = os.path.join(config.api_url(False), *args)
-    if query is not None:
+    if query is not None and len(query) > 0:
         url = '%s?%s' % (url, urlencode(query, doseq=True))
 
     return url
@@ -399,6 +401,20 @@ def _filter_api_query(query):
     return result
 
 
+def query_api_repo_url(query):
+    '''
+    Creates an encoded URL string access a search query on the repo api.
+    '''
+    query = dict(query)
+    for to_delete in ['per_page', 'page', 'exclude']:
+        if to_delete in query:
+            del(query[to_delete])
+    for key, value in dict(order_by=['upload_time'], order=['-1'], domain=['dft'], owner=['public']).items():
+        if key in query and query[key] == value:
+            del(query[key])
+    return _query_api_url('repo', query=query)
+
+
 def query_api_clientlib(**kwargs):
     '''
     Creates a string of python code to execute a search query on the archive using

nomad/app/api/repo.py

@@ -35,7 +35,8 @@ from .api import api
 from .auth import authenticate
 from .common import search_model, calc_route, add_pagination_parameters,\
     add_scroll_parameters, add_search_parameters, apply_search_parameters,\
-    query_api_python, query_api_curl, query_api_clientlib, _search_quantities
+    query_api_python, query_api_curl, query_api_clientlib, query_api_repo_url, \
+    _search_quantities
 
 ns = api.namespace('repo', description='Access repository metadata.')
 
@@ -260,6 +261,7 @@ class RepoCalcsResource(Resource):
             if 'statistics' in code_args:
                 del(code_args['statistics'])
             results['code'] = {
+                'repo_url': query_api_repo_url(code_args),
                 'curl': query_api_curl(code_args),
                 'python': query_api_python(code_args),
                 'clientlib': query_api_clientlib(**code_args)

ops/tests/loadtest_search.py

+from locust import HttpUser, task, between
+from ase.data import chemical_symbols
+import random
+
+
+class QuickstartUser(HttpUser):
+    wait_time = between(1, 2)
+
+    @task
+    def empty_search(self):
+        self.client.get("/prod/rae/beta/api/repo/")
+
+    @task
+    def elements_search(self):
+        self.client.get("/prod/rae/beta/api/repo/?atoms=%s" % random.choice(chemical_symbols[1:]))
+
+    def on_start(self):
+        pass