Update AiiDA REST API

aiida/backends/tests/restapi.py

@@ -130,7 +130,7 @@ def process_dummy_data(cls):
         """
         computer_projects = ["id", "uuid", "name", "hostname",
                                            "transport_type", "scheduler_type"]
-        computers = expected_data = QueryBuilder().append(
+        computers = QueryBuilder().append(
             Computer, tag="comp", project=computer_projects).order_by(
             {'comp': [{'name': {'order': 'asc'}}]}).dict()
 
@@ -750,3 +750,22 @@ def test_calculation_attributes_alist_filter(self):
             RESTApiTestCase.compare_extra_response_data(self, "calculations",
                                                         url,
                                                         response, uuid=node_uuid)
+
+    ############### Structure visualization and download #############
+    def test_structure_visualization(self):
+        """
+        Get the list of give calculation inputs
+        """
+        node_uuid = self.get_dummy_data()["data"][3]["uuid"]
+        url = self.get_url_prefix() + '/structures/' + str(
+            node_uuid) + '/content/visualization?visformat=cif'
+        self.app.config['TESTING'] = True
+        with self.app.test_client() as client:
+            rv = client.get(url)
+            response = json.loads(rv.data)
+            expected_visdata = """#\\#CIF1.1\n##########################################################################\n#               Crystallographic Information Format file \n#               Produced by PyCifRW module\n# \n#  This is a CIF file.  CIF has been adopted by the International\n#  Union of Crystallography as the standard for data archiving and \n#  transmission.\n#\n#  For information on this file format, follow the CIF links at\n#  http://www.iucr.org\n##########################################################################\n\ndata_0\nloop_\n  _atom_site_label\n  _atom_site_fract_x\n  _atom_site_fract_y\n  _atom_site_fract_z\n  _atom_site_type_symbol\n   Ba1  0.0  0.0  0.0  Ba\n \n_cell_angle_alpha                       90.0\n_cell_angle_beta                        90.0\n_cell_angle_gamma                       90.0\n_cell_length_a                          2.0\n_cell_length_b                          2.0\n_cell_length_c                          2.0\nloop_\n  _symmetry_equiv_pos_as_xyz\n   'x, y, z'\n \n_symmetry_int_tables_number             1\n_symmetry_space_group_name_H-M          'P 1'\n"""
+            self.assertEquals(response["data"]["visualization"]["cif"],expected_visdata)
+            RESTApiTestCase.compare_extra_response_data(self, "structures",
+                                                        url,
+                                                        response, uuid=node_uuid)
+

aiida/restapi/api.py

@@ -16,6 +16,7 @@
 
 from flask import Flask, jsonify
 from flask_restful import Api
+from werkzeug.exceptions import HTTPException
 
 class App(Flask):
     """
@@ -37,7 +38,7 @@ def __init__(self, *args, **kwargs):
 
         # Error handler
         from aiida.restapi.common.exceptions import RestInputValidationError, \
-            RestValidationError
+            RestValidationError, RestFeatureNotAvailable
 
         if catch_internal_server:
 
@@ -52,6 +53,10 @@ def error_handler(error):
                     response = jsonify({'message': error.message})
                     response.status_code = 400
 
+                elif isinstance(error, RestFeatureNotAvailable):
+                    response = jsonify({'message': error.message})
+                    response.status_code = 501
+
                 # Generic server-side error (not to make the api crash if an
                 # unhandled exception is raised. Caution is never enough!!)
                 else:
@@ -87,9 +92,19 @@ def __init__(self, app=None, **kwargs):
         """
 
         from aiida.restapi.resources import Calculation, Computer, User, Code, Data, \
-            Group, Node, StructureData, KpointsData, BandsData
+            Group, Node, StructureData, KpointsData, BandsData, ServerInfo
+
+        self.app = app
+
+        super(AiidaApi, self).__init__(app=app, prefix=kwargs['PREFIX'], catch_all_404s=True)
+
 
-        super(AiidaApi, self).__init__(app=app, prefix=kwargs['PREFIX'])
+        self.add_resource(ServerInfo,
+                          "/server/",
+                          "/server/endpoints/",
+                          endpoint='server',
+                          strict_slashes=False,
+                          resource_class_kwargs=kwargs)
 
         ## Add resources and endpoints to the api
         self.add_resource(Computer,
@@ -99,6 +114,7 @@ def __init__(self, app=None, **kwargs):
                           '/computers/page/<int:page>/',
                           '/computers/<id>/',
                           '/computers/schema/',
+                          endpoint='computers',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs)
 
@@ -119,6 +135,7 @@ def __init__(self, app=None, **kwargs):
                           '/nodes/<id>/content/attributes/',
                           '/nodes/<id>/content/extras/',
                           '/nodes/<id>/content/visualization/',
+                          endpoint='nodes',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs)
 
@@ -137,6 +154,7 @@ def __init__(self, app=None, **kwargs):
                           '/calculations/<id>/io/tree/',
                           '/calculations/<id>/content/attributes/',
                           '/calculations/<id>/content/extras/',
+                          endpoint='calculations',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs)
 
@@ -156,6 +174,8 @@ def __init__(self, app=None, **kwargs):
                           '/data/<id>/content/attributes/',
                           '/data/<id>/content/extras/',
                           '/data/<id>/content/visualization/',
+                          '/data/<id>/content/download/',
+                          endpoint='data',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs)
 
@@ -175,6 +195,7 @@ def __init__(self, app=None, **kwargs):
                           '/codes/<id>/content/attributes/',
                           '/codes/<id>/content/extras/',
                           '/codes/<id>/content/visualization/',
+                          endpoint='codes',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs)
 
@@ -194,6 +215,8 @@ def __init__(self, app=None, **kwargs):
                           '/structures/<id>/content/attributes/',
                           '/structures/<id>/content/extras/',
                           '/structures/<id>/content/visualization/',
+                          '/structures/<id>/content/download/',
+                          endpoint='structures',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs
                           )
@@ -214,6 +237,7 @@ def __init__(self, app=None, **kwargs):
                           '/kpoints/<id>/content/attributes/',
                           '/kpoints/<id>/content/extras/',
                           '/kpoints/<id>/content/visualization/',
+                          endpoint='kpoints',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs
                           )
@@ -234,6 +258,7 @@ def __init__(self, app=None, **kwargs):
                           '/bands/<id>/content/attributes/',
                           '/bands/<id>/content/extras/',
                           '/bands/<id>/content/visualization/',
+                          endpoint='bands',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs
                           )
@@ -253,5 +278,37 @@ def __init__(self, app=None, **kwargs):
                           '/groups/page/',
                           '/groups/page/<int:page>/',
                           '/groups/<id>/',
+                          endpoint='groups',
                           strict_slashes=False,
                           resource_class_kwargs=kwargs)
+
+
+    def handle_error(self, e):
+        """
+        this method handles the 404 "URL not found" exception and return custom message
+        :param e: raised exception
+        :return: list of available endpoints
+        """
+
+        if isinstance(e, HTTPException):
+            if e.code == 404:
+
+                from aiida.restapi.common.config import PREFIX
+                import json
+
+                response = {}
+
+                response["status"] = "404 Not Found"
+                response["message"] = "The requested URL is not found on the server."
+                response["available_endpoints"] = []
+                tmp = []
+
+                for rule in sorted(self.app.url_map.iter_rules()):
+                    if rule.endpoint not in tmp and rule.endpoint != "static":
+                        tmp.append(rule.endpoint)
+                        response["available_endpoints"].append(PREFIX + "/" + rule.endpoint)
+
+                return jsonify(response)
+
+        else:
+            raise e

aiida/restapi/common/exceptions.py

@@ -19,7 +19,8 @@
 or internal errors, are not embedded into the HTTP response.
 """
 
-from aiida.common.exceptions import ValidationError, InputValidationError
+from aiida.common.exceptions import ValidationError, InputValidationError, \
+    FeatureNotAvailable
 
 class RestValidationError(ValidationError):
     """
@@ -31,4 +32,7 @@ class RestInputValidationError(InputValidationError):
     """
     document with an example
     """
+    pass
+
+class RestFeatureNotAvailable(FeatureNotAvailable):
     pass

aiida/restapi/common/utils.py

@@ -256,9 +256,8 @@ def validate_request(self, limit=None, offset=None, perpage=None, page=None,
             raise RestValidationError("perpage key requires that a page is "
                                       "requested (i.e. the path must contain "
                                       "/page/)")
-        # 4. No querystring if query type = schema', 'visualization', 'schema'
-        if query_type in ('schema', 'visualization', 'statistics') and \
-                is_querystring_defined:
+        # 4. No querystring if query type = schema'
+        if query_type in ('schema') and is_querystring_defined:
             raise RestInputValidationError("schema requests do not allow "
                                            "specifying a query string")
 
@@ -509,6 +508,8 @@ def build_translator_parameters(self, field_list):
         nalist = None
         elist = None
         nelist = None
+        downloadformat = None
+        visformat = None
 
         ## Count how many time a key has been used for the filters and check if
         # reserved keyword
@@ -560,6 +561,14 @@ def build_translator_parameters(self, field_list):
             raise RestInputValidationError(
                 "You cannot specify nelist more than "
                 "once")
+        if 'format' in field_counts.keys() and field_counts['format'] > 1:
+            raise RestInputValidationError(
+                "You cannot specify format more than "
+                "once")
+        if 'visformat' in field_counts.keys() and field_counts['visformat'] > 1:
+            raise RestInputValidationError(
+                "You cannot specify visformat more than "
+                "once")
 
         ## Extract results
         for field in field_list:
@@ -627,6 +636,22 @@ def build_translator_parameters(self, field_list):
                     raise RestInputValidationError(
                         "only assignment operator '=' "
                         "is permitted after 'orderby'")
+
+            elif field[0] == 'format':
+                if field[1] == '=':
+                    downloadformat = field[2]
+                else:
+                    raise RestInputValidationError(
+                        "only assignment operator '=' "
+                        "is permitted after 'format'")
+            elif field[0] == 'visformat':
+                if field[1] == '=':
+                    visformat = field[2]
+                else:
+                    raise RestInputValidationError(
+                        "only assignment operator '=' "
+                        "is permitted after 'visformat'")
+
             else:
 
                 ## Construct the filter entry.
@@ -659,7 +684,7 @@ def build_translator_parameters(self, field_list):
         #     limit = self.LIMIT_DEFAULT
 
         return (limit, offset, perpage, orderby, filters, alist, nalist, elist,
-                nelist)
+                nelist, downloadformat, visformat)
 
     def parse_query_string(self, query_string):
         """