Add export_parameters to metadata.json in export archives

aiida/tools/importexport/dbexport/__init__.py

@@ -32,7 +32,7 @@
 )
 from aiida.tools.importexport.common.utils import export_shard_uuid
 from aiida.tools.importexport.dbexport.utils import (
-    check_licences, fill_in_query, serialize_dict, check_process_nodes_sealed, retrieve_linked_nodes
+    check_licenses, fill_in_query, serialize_dict, check_process_nodes_sealed, retrieve_linked_nodes
 )
 
 from .zip import ZipFolder
@@ -170,11 +170,15 @@ def export_tree(
         exporting.
     :raises `~aiida.common.exceptions.LicensingException`: if any node is licensed under forbidden license.
     """
+    from collections import defaultdict
+
     if not silent:
         print('STARTING EXPORT...')
 
     all_fields_info, unique_identifiers = get_all_fields_info()
 
+    original_entities = defaultdict(list)
+
     # The set that contains the nodes ids of the nodes that should be exported
     given_data_entry_ids = set()
     given_calculation_entry_ids = set()
@@ -195,17 +199,21 @@ def export_tree(
             given_group_entry_ids.add(entry.id)
             given_groups.add(entry)
         elif issubclass(entry.__class__, orm.Node):
+            original_entities[NODE_ENTITY_NAME].append(entry.uuid)
             if issubclass(entry.__class__, orm.Data):
                 given_data_entry_ids.add(entry.pk)
             elif issubclass(entry.__class__, orm.ProcessNode):
                 given_calculation_entry_ids.add(entry.pk)
         elif issubclass(entry.__class__, orm.Computer):
+            original_entities[COMPUTER_ENTITY_NAME].append(entry.uuid)
             given_computer_entry_ids.add(entry.pk)
         else:
             raise exceptions.ArchiveExportError(
                 'I was given {} ({}), which is not a Node, Computer, or Group instance'.format(entry, type(entry))
             )
 
+    original_entities[GROUP_ENTITY_NAME] = [_.uuid for _ in given_groups]
+
     # Add all the nodes contained within the specified groups
     for group in given_groups:
         for entry in group.nodes:
@@ -221,7 +229,9 @@ def export_tree(
     if not silent:
         print('RETRIEVING LINKED NODES AND STORING LINKS...')
 
-    to_be_exported, links_uuid = retrieve_linked_nodes(given_calculation_entry_ids, given_data_entry_ids, **kwargs)
+    to_be_exported, links_uuid, link_follow_rules = retrieve_linked_nodes(
+        given_calculation_entry_ids, given_data_entry_ids, **kwargs
+    )
 
     ## Universal "entities" attributed to all types of nodes
     # Logs
@@ -301,7 +311,7 @@ def export_tree(
         builder.append(orm.Node, project=['id', 'attributes.source.license'], filters={'id': {'in': to_be_exported}})
         # Skip those nodes where the license is not set (this is the standard behavior with Django)
         node_licenses = list((a, b) for [a, b] in builder.all() if b is not None)
-        check_licences(node_licenses, allowed_licenses, forbidden_licenses)
+        check_licenses(node_licenses, allowed_licenses, forbidden_licenses)
 
     ############################################################
     ##### Start automatic recursive export data generation #####
@@ -425,22 +435,35 @@ def export_tree(
         'node_extras': node_extras,
         'export_data': export_data,
         'links_uuid': links_uuid,
-        'groups_uuid': groups_uuid,
+        'groups_uuid': groups_uuid
     }
 
-    # N.B. We're really calling zipfolder.open
+    # N.B. We're really calling zipfolder.open (if exporting a zipfile)
     with folder.open('data.json', mode='w') as fhandle:
         # fhandle.write(json.dumps(data, cls=UUIDEncoder))
         fhandle.write(json.dumps(data))
 
     # Add proper signature to unique identifiers & all_fields_info
     # Ignore if a key doesn't exist in any of the two dictionaries
 
+    license_info = {'allowed_licenses': allowed_licenses, 'forbidden_licenses': forbidden_licenses}
+    for name, value in license_info.items():
+        if value and not isinstance(value, list):
+            # The value is a function (can either be a function, a list or None)
+            license_info[name] = 'Function {} was used to check for {}'.format(value, name.replace('_', ' '))
+
     metadata = {
         'aiida_version': get_version(),
         'export_version': EXPORT_VERSION,
         'all_fields_info': all_fields_info,
         'unique_identifiers': unique_identifiers,
+        'export_parameters': {
+            'link_follow_rules': link_follow_rules,
+            'original_entities': original_entities,
+            'license_info': license_info,
+            'include_comments': include_comments,
+            'include_logs': include_logs
+        }
     }
 
     with folder.open('metadata.json', 'w') as fhandle:

aiida/tools/importexport/dbexport/utils.py

@@ -102,7 +102,7 @@ def fill_in_query(partial_query, originating_entity_str, current_entity_str, tag
         fill_in_query(partial_query, current_entity_str, ref_model_name, new_tag_suffixes)
 
 
-def check_licences(node_licenses, allowed_licenses, forbidden_licenses):
+def check_licenses(node_licenses, allowed_licenses, forbidden_licenses):
     """Check licenses"""
     from aiida.common.exceptions import LicensingException
     from inspect import isfunction
@@ -384,7 +384,7 @@ def retrieve_linked_nodes(process_nodes, data_nodes, **kwargs):  # pylint: disab
     :param call_calc_backward: Follow CALL_CALC links in the backward direction (recursively).
     :param call_work_backward: Follow CALL_WORK links in the backward direction (recursively).
 
-    :return: Set of retrieved Nodes and list of links information.
+    :return: Set of retrieved Nodes, list of links information, and updated dict of LINK_FLAGS.
 
     :raises `~aiida.tools.importexport.common.exceptions.ExportValidationError`: if wrong or too many kwargs are given.
     """
@@ -579,4 +579,4 @@ def retrieve_linked_nodes(process_nodes, data_nodes, **kwargs):  # pylint: disab
                 process_nodes.update(found_nodes - retrieved_nodes)
                 links_uuid_dict.update(links_uuids)
 
-    return retrieved_nodes, list(links_uuid_dict.values())
+    return retrieved_nodes, list(links_uuid_dict.values()), follow_links_rules

docs/source/import_export/main.rst

@@ -60,8 +60,33 @@ Let's have a look at the contents of ``metadata.json``:
 .. code-block:: json
 
     {
-      "export_version": "0.6",
+      "export_version": "0.7",
       "aiida_version": "1.0.0",
+      "export_parameters": {
+        "link_follow_rules": {
+          "input_calc_forward": false,
+          "input_calc_backward": true,
+          "create_forward": true,
+          "create_backward": true,
+          "return_forward": true,
+          "return_backward": false,
+          "input_work_forward": false,
+          "input_work_backward": true,
+          "call_calc_forward": true,
+          "call_calc_backward": false,
+          "call_work_forward": true,
+          "call_work_backward": false
+        },
+        "original_entities": {
+          "Node": ["1024e35e-166b-4104-95f6-c1706df4ce15"]
+        },
+        "license_info": {
+          "allowed_licenses": null,
+          "forbidden_licenses": "Function valid_licenses was used to check for forbidden licenses"
+        },
+        "include_comments": true,
+        "include_logs": false
+      },
       "unique_identifiers": {
         "Computer": "uuid",
         "Group": "uuid",
@@ -186,10 +211,10 @@ A sample of the ``data.json`` file follows:
     {
       "links_uuid": [
         {
-          "output": "c208c9da-23b4-4c32-8f99-f9141ab28363",
-          "label": "parent_calc_folder",
-          "input": "eaaa114d-3d5b-42eb-a269-cf0e7a3a935d",
-          "type": "inputlink"
+          "output": "1024e35e-166b-4104-95f6-c1706df4ce15",
+          "label": "parameters",
+          "input": "628ba258-ccc1-47bf-bab7-8aee64b563ea",
+          "type": "input_calc"
         }
       ],
       "export_data": {
@@ -248,7 +273,7 @@ A sample of the ``data.json`` file follows:
             "ctime": "2016-08-21T11:56:05.501162",
             "mtime": "2016-08-21T11:56:05.501697",
             "content": "vc-relax calculation with cold smearing",
-            "dbnode": 5921143,
+            "dbnode": 20063,
             "user": 2
           }
         }
@@ -295,13 +320,16 @@ A sample of the ``data.json`` file follows:
             "default_mpiprocs_per_machine": 8
           },
           "remote_workdir": "/scratch/aiida/aiida_run/10/24/e35e-166b-4104-95f6-c1706df4ce15",
-          "state": "FINISHED",
+          "process_state": "finished",
           "max_wallclock_seconds": 900,
           "retrieve_singlefile_list": [],
-          "scheduler_lastchecktime": "2015-10-02T20:30:36.481951",
-          "job_id": "13489"
-        },
-        "6480111": {}
+          "scheduler_lastchecktime": "2015-10-02T20:30:36.481951+00:00",
+          "job_id": "13489",
+          "exit_status": 0,
+          "process_status": null,
+          "process_label": "vc-relax",
+          "sealed": true
+        }
       },
       "node_extras": {
         "5921143": {},