Commit 32605bc4 authored by Ihrig, Arvid Conrad (ari)'s avatar Ihrig, Arvid Conrad (ari)
Browse files

reorganization of Repository specific meta-data

parent 89f17ebb
...@@ -114,7 +114,7 @@ ...@@ -114,7 +114,7 @@
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_access_now", "name": "repository_access_now",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_userdata"
] ]
}, { }, {
"description": "Gid of a raw data archives that contains this calculation", "description": "Gid of a raw data archives that contains this calculation",
...@@ -124,27 +124,20 @@ ...@@ -124,27 +124,20 @@
"superNames": [ "superNames": [
"section_repository_info" "section_repository_info"
] ]
}, {
"description": "Number of different elements contained in the system",
"dtypeStr": "i",
"name": "repository_atomic_elements_count",
"superNames": [
"section_repository_info"
]
}, { }, {
"description": "Atomic elements used in this calculation", "description": "Atomic elements used in this calculation",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_atomic_elements", "name": "repository_atomic_elements",
"repeats": true, "repeats": true,
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "String identifying the type of basis set used in this calculation", "description": "String identifying the type of basis set used in this calculation",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_basis_set_type", "name": "repository_basis_set_type",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "calc_id, an internal identifier in the database of a file/calculation in NOMAD repository", "description": "calc_id, an internal identifier in the database of a file/calculation in NOMAD repository",
...@@ -158,35 +151,35 @@ ...@@ -158,35 +151,35 @@
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_checksum", "name": "repository_checksum",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "Chemical formula (composition) calculation", "description": "Chemical formula (composition) calculation",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_chemical_formula", "name": "repository_chemical_formula",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "version of the code that was used to generate the calculation", "description": "version of the code that was used to generate the calculation",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_code_version", "name": "repository_code_version",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "Comment on data uploaded to NOMAD repository", "description": "Comment on data uploaded to NOMAD repository",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_comment", "name": "repository_comment",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_userdata"
] ]
}, { }, {
"description": "String identifying the crystal system of this calculation", "description": "String identifying the crystal system of this calculation",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_crystal_system", "name": "repository_crystal_system",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "paths to the files associated with this calculation on the file system", "description": "paths to the files associated with this calculation on the file system",
...@@ -230,14 +223,14 @@ ...@@ -230,14 +223,14 @@
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_open_date", "name": "repository_open_date",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_userdata"
] ]
}, { }, {
"description": "String identifying the parser used to parse the information for the repository", "description": "String identifying the parser used to parse the information for the repository",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_parser_id", "name": "repository_parser_id",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "Permanent identifier of a file/calculation in NOMAD repository", "description": "Permanent identifier of a file/calculation in NOMAD repository",
...@@ -251,21 +244,21 @@ ...@@ -251,21 +244,21 @@
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_program_name", "name": "repository_program_name",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "space group of the geometry of this calculation", "description": "space group of the geometry of this calculation",
"dtypeStr": "i", "dtypeStr": "i",
"name": "repository_spacegroup_nr", "name": "repository_spacegroup_nr",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "String identifying the type of system of this calculation", "description": "String identifying the type of system of this calculation",
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_system_type", "name": "repository_system_type",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "URI referring to the parsed file in the original upload to repository (equivalent of mainFileUri before repackaging)", "description": "URI referring to the parsed file in the original upload to repository (equivalent of mainFileUri before repackaging)",
...@@ -279,21 +272,21 @@ ...@@ -279,21 +272,21 @@
"dtypeStr": "C", "dtypeStr": "C",
"name": "repository_xc_treatment", "name": "repository_xc_treatment",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_parserdata"
] ]
}, { }, {
"description": "Information about the authors of data uploaded to NOMAD repository", "description": "Information about the authors of data uploaded to NOMAD repository",
"kindStr": "type_section", "kindStr": "type_section",
"name": "section_author_info", "name": "section_author_info",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_userdata"
] ]
}, { }, {
"description": "Section describing a citation", "description": "Section describing a citation",
"kindStr": "type_section", "kindStr": "type_section",
"name": "section_citation", "name": "section_citation",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_userdata"
] ]
}, { }, {
"description": "Information on a raw data archive that contain open access data of this upload", "description": "Information on a raw data archive that contain open access data of this upload",
...@@ -337,7 +330,7 @@ ...@@ -337,7 +330,7 @@
"kindStr": "type_section", "kindStr": "type_section",
"name": "section_repository_dataset", "name": "section_repository_dataset",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_userdata"
] ]
}, { }, {
"description": "Section containing information about the original upload to NOMAD repository", "description": "Section containing information about the original upload to NOMAD repository",
...@@ -349,7 +342,7 @@ ...@@ -349,7 +342,7 @@
"kindStr": "type_section", "kindStr": "type_section",
"name": "section_shared_with", "name": "section_shared_with",
"superNames": [ "superNames": [
"section_repository_info" "section_repository_userdata"
] ]
}, { }, {
"description": "Information about the person who uploaded the data to NOMAD repository", "description": "Information about the person who uploaded the data to NOMAD repository",
...@@ -358,6 +351,20 @@ ...@@ -358,6 +351,20 @@
"superNames": [ "superNames": [
"section_repository_info" "section_repository_info"
] ]
}, {
"description": "data about the calculation which can be modified by the owner",
"kindStr": "type_section",
"name": "section_repository_userdata",
"superNames": [
"section_repository_info"
]
}, {
"description": "data about the calculation which can be modified by parsers",
"kindStr": "type_section",
"name": "section_repository_parserdata",
"superNames": [
"section_repository_info"
]
}, { }, {
"description": "First name of someone this calculation is shared with", "description": "First name of someone this calculation is shared with",
"dtypeStr": "C", "dtypeStr": "C",
......
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