From 9a1a59ced1f4e7ce2dc747912db6894c0aaabd08 Mon Sep 17 00:00:00 2001 From: Kostiantyn Dvornik Date: Fri, 10 Nov 2023 16:08:31 +0200 Subject: [PATCH 1/5] chore: array of 3 numbers --- schema/core/primitive/array_of_3_numbers.json | 8 +++----- schema/core/primitive/array_of_numbers.json | 9 --------- 2 files changed, 3 insertions(+), 14 deletions(-) delete mode 100644 schema/core/primitive/array_of_numbers.json diff --git a/schema/core/primitive/array_of_3_numbers.json b/schema/core/primitive/array_of_3_numbers.json index 56277661a..58e30b716 100644 --- a/schema/core/primitive/array_of_3_numbers.json +++ b/schema/core/primitive/array_of_3_numbers.json @@ -2,12 +2,10 @@ "$id": "core/primitive/array-of-3-numbers", "$schema": "http://json-schema.org/draft-04/schema#", "title": "array of 3 number elements schema", - "allOf": [ - { - "$ref": "array_of_numbers.json" - } - ], "type": "array", + "items": { + "type": "number" + }, "minItems": 3, "maxItems": 3 } diff --git a/schema/core/primitive/array_of_numbers.json b/schema/core/primitive/array_of_numbers.json deleted file mode 100644 index 763b6986d..000000000 --- a/schema/core/primitive/array_of_numbers.json +++ /dev/null @@ -1,9 +0,0 @@ -{ - "$id": "core/primitive/array-of-numbers", - "$schema": "http://json-schema.org/draft-04/schema#", - "title": "array of numbers", - "type": "array", - "items": { - "type": "number" - } -} From 481554c5738ede71801d75baf2ae9e7348bdc384 Mon Sep 17 00:00:00 2001 From: Kostiantyn Dvornik Date: Thu, 30 Nov 2023 15:46:26 +0200 Subject: [PATCH 2/5] update: add lattice type extended --- .../structural/lattice/lattice_bravais.json | 18 +---------- .../structural/lattice/type_enum.json | 23 +++++++++++++ .../lattice/type_extended_enum.json | 32 +++++++++++++++++++ 3 files changed, 56 insertions(+), 17 deletions(-) create mode 100644 schema/properties_directory/structural/lattice/type_enum.json create mode 100644 schema/properties_directory/structural/lattice/type_extended_enum.json diff --git a/schema/properties_directory/structural/lattice/lattice_bravais.json b/schema/properties_directory/structural/lattice/lattice_bravais.json index 621c21bb7..8d5e749a5 100644 --- a/schema/properties_directory/structural/lattice/lattice_bravais.json +++ b/schema/properties_directory/structural/lattice/lattice_bravais.json @@ -10,23 +10,7 @@ "properties": { "type": { "description": "Bravais lattice type in short notation", - "type": "string", - "enum": [ - "CUB", - "BCC", - "FCC", - "TET", - "MCL", - "ORC", - "ORCC", - "ORCF", - "ORCI", - "HEX", - "BCT", - "TRI", - "MCLC", - "RHL" - ] + "$ref": "type_enum.json" }, "units": { "type": "object", diff --git a/schema/properties_directory/structural/lattice/type_enum.json b/schema/properties_directory/structural/lattice/type_enum.json new file mode 100644 index 000000000..f13d95300 --- /dev/null +++ b/schema/properties_directory/structural/lattice/type_enum.json @@ -0,0 +1,23 @@ +{ + "$id": "properties-directory/structural/lattice/type-enum", + "$schema": "http://json-schema.org/draft-04/schema#", + "title": "lattice type schema", + + "type": "string", + "enum": [ + "CUB", + "BCC", + "FCC", + "TET", + "MCL", + "ORC", + "ORCC", + "ORCF", + "ORCI", + "HEX", + "BCT", + "TRI", + "MCLC", + "RHL" + ] +} diff --git a/schema/properties_directory/structural/lattice/type_extended_enum.json b/schema/properties_directory/structural/lattice/type_extended_enum.json new file mode 100644 index 000000000..c8165c362 --- /dev/null +++ b/schema/properties_directory/structural/lattice/type_extended_enum.json @@ -0,0 +1,32 @@ +{ + "$id": "properties-directory/structural/lattice/type-extended-enum", + "$schema": "http://json-schema.org/draft-04/schema#", + "title": "lattice type extended schema", + "type": "string", + "enum": [ + "BCC", + "BCT-1", + "BCT-2", + "CUB", + "FCC", + "HEX", + "MCL", + "MCLC-1", + "MCLC-2", + "MCLC-3", + "MCLC-4", + "MCLC-5", + "ORC", + "ORCC", + "ORCF-1", + "ORCF-2", + "ORCF-3", + "ORCI", + "RHL-1", + "RHL-2", + "TET", + "TRI_1a", + "TRI_2a", + "TRI_1b" + ] +} From 74689f7f12c104826ebcde2882521d758e55dbc1 Mon Sep 17 00:00:00 2001 From: Kostiantyn Dvornik Date: Thu, 30 Nov 2023 16:05:25 +0200 Subject: [PATCH 3/5] chore: add atomsOverlap to consistency-check --- schema/system/consistency_check.json | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/schema/system/consistency_check.json b/schema/system/consistency_check.json index 7792aaedc..d74167cc9 100644 --- a/schema/system/consistency_check.json +++ b/schema/system/consistency_check.json @@ -12,7 +12,8 @@ "name": { "enum": [ "default", - "atomsTooClose" + "atomsTooClose", + "atomsOverlap" ], "description": "Name of the consistency check that is performed, which is listed in an enum." }, From 036de5fb1c2fafdb8a6ba6bbb0e222d170697571 Mon Sep 17 00:00:00 2001 From: Pranab Das <31024886+pranabdas@users.noreply.github.com> Date: Tue, 5 Dec 2023 09:46:26 +0800 Subject: [PATCH 4/5] SOF-6944: specify array items for apps under psp/file_data_item json-to-simpl-schema has issues handling empty arrays --- schema/methods_directory/physical/psp/file_data_item.json | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/schema/methods_directory/physical/psp/file_data_item.json b/schema/methods_directory/physical/psp/file_data_item.json index 1f11b941a..6a9acd898 100644 --- a/schema/methods_directory/physical/psp/file_data_item.json +++ b/schema/methods_directory/physical/psp/file_data_item.json @@ -54,7 +54,10 @@ }, "apps": { "type": "array", - "description": "simulation engines that can use this pseudopotential" + "description": "simulation engines that can use this pseudopotential", + "items": { + "type": "string" + } }, "filename": { "type": "string", From 54c92ca2e1d6182077722266fb72c8d1426010e3 Mon Sep 17 00:00:00 2001 From: Timur Bazhirov Date: Wed, 6 Dec 2023 19:42:29 -0800 Subject: [PATCH 5/5] Update file_data_item.json --- schema/methods_directory/physical/psp/file_data_item.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/schema/methods_directory/physical/psp/file_data_item.json b/schema/methods_directory/physical/psp/file_data_item.json index 6a9acd898..04e2b634e 100644 --- a/schema/methods_directory/physical/psp/file_data_item.json +++ b/schema/methods_directory/physical/psp/file_data_item.json @@ -54,7 +54,7 @@ }, "apps": { "type": "array", - "description": "simulation engines that can use this pseudopotential", + "description": "The names of the simulation engines that can use this pseudopotential, e.g. espresso", "items": { "type": "string" }