diff --git a/examples/data/light_eln/schema.archive.yaml b/examples/data/light_eln/schema.archive.yaml index 21c37b11a364ee73c999a98e725b2efcf2c80867..ff1d6830658fcf5435cbe0ecc40205cf751cba40 100644 --- a/examples/data/light_eln/schema.archive.yaml +++ b/examples/data/light_eln/schema.archive.yaml @@ -153,9 +153,11 @@ definitions: - data: x: "#time" y: "#chamber_pressure" + open: false - data: x: "#time" y: "#substrate_temperature" + open: true quantities: data_file: type: str diff --git a/gui/src/components/archive/ArchiveBrowser.js b/gui/src/components/archive/ArchiveBrowser.js index a0ac7321b3163b30563a9744a4f7fdbaa9b73768..a81363fb008fab06af26b574b219b8e7812f4342 100644 --- a/gui/src/components/archive/ArchiveBrowser.js +++ b/gui/src/components/archive/ArchiveBrowser.js @@ -1477,17 +1477,21 @@ FoldableList.defaultProps = ({ }) export const SectionPlots = React.memo(function SectionPlots({section, sectionDef, uploadId, entryId}) { - let sortedFigures + const [selected, setSelected] = useState([]) const annotationPlot = sectionDef?.m_annotations?.plot && sectionDef.m_annotations?.plot - if (section?.figures) { - section?.figures.forEach((figure, index) => { - figure.pathIndex = index - }) - const [indexedFigures, otherFigures] = section.figures && partition(section.figures, figure => figure?.index !== undefined) - sortedFigures = indexedFigures.sort((a, b) => a.index - b.index) - sortedFigures = [...sortedFigures, ...otherFigures] - } - const [selected, setSelected] = useState([0]) + + const sortedFigures = useMemo(() => { + let sortedFigures + if (section?.figures) { + section?.figures.forEach((figure, index) => { + figure.pathIndex = index + }) + const [indexedFigures, otherFigures] = section.figures && partition(section.figures, figure => figure?.index !== undefined) + sortedFigures = indexedFigures.sort((a, b) => a.index - b.index) + sortedFigures = [...sortedFigures, ...otherFigures] + } + return sortedFigures + }, [section.figures]) const plots = useMemo(() => { const validPlots = [] @@ -1514,8 +1518,13 @@ export const SectionPlots = React.memo(function SectionPlots({section, sectionDe }, [annotationPlot, sortedFigures]) useEffect(() => { - setSelected([0]) - }, [plots.length]) + setSelected(sortedFigures && Array.isArray(sortedFigures) ? sortedFigures.reduce((indices, figure, index) => { + if (figure?.open === undefined || figure?.open) { + indices.push(index) + } + return indices + }, []) : [0]) + }, [plots.length, sortedFigures]) if (plots.length < 1 || selected.find(index => index >= plots.length)) { return null diff --git a/gui/src/components/archive/PlotlyFigure.js b/gui/src/components/archive/PlotlyFigure.js index b0b9dc026b72352b27109c11932a9e86afcba421..178c9358599fb05a26e2f317ef77d65a4151f631 100644 --- a/gui/src/components/archive/PlotlyFigure.js +++ b/gui/src/components/archive/PlotlyFigure.js @@ -240,6 +240,7 @@ const PlotlyFigure = React.memo(function PlotlyFigure({plot, section, sectionDef fixedMargins={true} config={plotlyGraphObj.config} metaInfoLink={metaInfoLink} + data-testid={'plotly-figure'} /> </Box> }) diff --git a/gui/src/components/entry/OverviewView.spec.js b/gui/src/components/entry/OverviewView.spec.js index c8b10419fd0654d7963b1ed3885ce5e0c1de3929..c675d84b3cd0ce0b8ac3acbcddf28fb91748b396 100644 --- a/gui/src/components/entry/OverviewView.spec.js +++ b/gui/src/components/entry/OverviewView.spec.js @@ -202,7 +202,7 @@ test('eln overview as a reviewer', async () => { expect(screen.queryByTitle('Delete entry')).not.toBeInTheDocument() const sectionCards = screen.queryAllByTestId('property-card') - expect(sectionCards.length).toBe(4) + expect(sectionCards.length).toBe(5) const cardSample = sectionCards[0] const cardPvdEvaporation = sectionCards[1] @@ -222,10 +222,17 @@ test('eln overview as a reviewer', async () => { expect(within(cardPvdEvaporation).getByText('PvdEvaporation')).toBeVisible() expectQuantityToBe('data_file', 'Data file', 'PVDProcess.csv', within(cardPvdEvaporation)) - // Test if the plot is there - expect(within(cardPvdEvaporation).getByText(/Chamber Pressure \(GPa\)/)).toBeVisible() - expect(within(cardPvdEvaporation).getByText(/Substrate Temperature \(K\)/)).toBeVisible() - expect(within(cardPvdEvaporation).getByText(/Time \(fs\)/)).toBeVisible() + // Test if the open plots are there + const plotlyFigures = within(cardPvdEvaporation).getAllByTestId('plotly-figure') + expect(plotlyFigures.length).toBe(2) + + expect(within(plotlyFigures[0]).getByText(/Chamber Pressure \(GPa\)/)).toBeVisible() + expect(within(plotlyFigures[0]).getByText(/Substrate Temperature \(K\)/)).toBeVisible() + expect(within(plotlyFigures[0]).getByText(/Time \(fs\)/)).toBeVisible() + + expect(within(plotlyFigures[1]).queryByText(/Chamber Pressure \(GPa\)/)).not.toBeInTheDocument() + expect(within(plotlyFigures[1]).getByText(/Substrate Temperature \(K\)/)).toBeVisible() + expect(within(plotlyFigures[1]).getByText(/Time \(fs\)/)).toBeVisible() expect(within(cardHotplateAnnealing).getByText('HotplateAnnealing')).toBeVisible() expectQuantityToBe('instrument', 'Instrument', undefined, within(cardHotplateAnnealing)) @@ -287,7 +294,7 @@ test.each([ expect(deleteButton).toBeEnabled() const sectionCards = screen.queryAllByTestId('property-card') - expect(sectionCards.length).toBe(4) + expect(sectionCards.length).toBe(5) const cardSample = sectionCards[0] const cardPvdEvaporation = sectionCards[1] @@ -298,10 +305,17 @@ test.each([ let numberFieldUnit = within(cardSample).queryAllByTestId('number-edit-quantity-unit') expectNumberEditQuantity(numberFieldValue[0], numberFieldUnit[0], '', 'Å') - // Test if the plot is there - expect(within(cardPvdEvaporation).getByText(/Chamber Pressure \(GPa\)/)).toBeVisible() - expect(within(cardPvdEvaporation).getByText(/Substrate Temperature \(K\)/)).toBeVisible() - expect(within(cardPvdEvaporation).getByText(/Time \(fs\)/)).toBeVisible() + // Test if the open plots are there + const plotlyFigures = within(cardPvdEvaporation).getAllByTestId('plotly-figure') + expect(plotlyFigures.length).toBe(2) + + expect(within(plotlyFigures[0]).getByText(/Chamber Pressure \(GPa\)/)).toBeVisible() + expect(within(plotlyFigures[0]).getByText(/Substrate Temperature \(K\)/)).toBeVisible() + expect(within(plotlyFigures[0]).getByText(/Time \(fs\)/)).toBeVisible() + + expect(within(plotlyFigures[1]).queryByText(/Chamber Pressure \(GPa\)/)).not.toBeInTheDocument() + expect(within(plotlyFigures[1]).getByText(/Substrate Temperature \(K\)/)).toBeVisible() + expect(within(plotlyFigures[1]).getByText(/Time \(fs\)/)).toBeVisible() numberFieldValue = within(cardHotplateAnnealing).queryAllByTestId('number-edit-quantity-value') numberFieldUnit = within(cardHotplateAnnealing).queryAllByTestId('number-edit-quantity-unit') diff --git a/gui/tests/artifacts.js b/gui/tests/artifacts.js index f32f40faf3bd87e3946624cdede9acb8f41d049c..271a5ddaf4c1710630032799331a08dc030dce58 100644 --- a/gui/tests/artifacts.js +++ b/gui/tests/artifacts.js @@ -6585,6 +6585,17 @@ window.nomadArtifacts = { "type_kind": "python", "type_data": "int" } + }, + { + "m_def": "nomad.metainfo.metainfo.Quantity", + "m_parent_index": 2, + "m_parent_sub_section": "quantities", + "name": "open", + "description": "Determines whether the figure is initially open or closed.", + "type": { + "type_kind": "python", + "type_data": "bool" + } } ] }, diff --git a/gui/tests/data/entry/eln-author.json b/gui/tests/data/entry/eln-author.json index c1f540336a9db86b1c555306b7be85649aea7d1c..c4ec5c7e3834628a55a3b433bcf8ff2ab90454b1 100644 --- a/gui/tests/data/entry/eln-author.json +++ b/gui/tests/data/entry/eln-author.json @@ -7,7 +7,7 @@ "body": "", "headers": { "accept": "application/json", - "authorization": "Bearer eyJhbGciOiJSUzI1NiIsInR5cCIgOiAiSldUIiwia2lkIiA6ICJSWFFIV1YxSEJ6cmh5U3h3UmRDdkhCcUF1WVNKRzZWSEJSZXg0TW5oX293In0.eyJqdGkiOiI4YTViZDEyMi00NmE4LTRiMTUtYmYzNi0zN2U2NjA2NzQxYzgiLCJleHAiOjE2OTc4NzIxMjEsIm5iZiI6MCwiaWF0IjoxNjk3ODM2MTM0LCJpc3MiOiJodHRwczovL25vbWFkLWxhYi5ldS9mYWlyZGkva2V5Y2xvYWsvYXV0aC9yZWFsbXMvZmFpcmRpX25vbWFkX3Rlc3QiLCJhdWQiOiJhY2NvdW50Iiwic3ViIjoiNjg4NzhhZjctNjg0NS00NmMwLWIyYzEtMjUwZDRkOGViNDcwIiwidHlwIjoiQmVhcmVyIiwiYXpwIjoibm9tYWRfZ3VpX2RldiIsImF1dGhfdGltZSI6MCwic2Vzc2lvbl9zdGF0ZSI6IjVkMmY0Nzk3LTE5NGYtNDM0Yi1hYmJmLTZiZjU4OGJlNDE2ZCIsImFjciI6IjEiLCJhbGxvd2VkLW9yaWdpbnMiOlsiKiJdLCJyZWFsbV9hY2Nlc3MiOnsicm9sZXMiOlsib2ZmbGluZV9hY2Nlc3MiLCJ1bWFfYXV0aG9yaXphdGlvbiJdfSwicmVzb3VyY2VfYWNjZXNzIjp7ImFjY291bnQiOnsicm9sZXMiOlsibWFuYWdlLWFjY291bnQiLCJtYW5hZ2UtYWNjb3VudC1saW5rcyIsInZpZXctcHJvZmlsZSJdfX0sInNjb3BlIjoiZW1haWwgcHJvZmlsZSIsImVtYWlsX3ZlcmlmaWVkIjp0cnVlLCJuYW1lIjoiTWFya3VzIFNjaGVpZGdlbiIsInByZWZlcnJlZF91c2VybmFtZSI6InRlc3QiLCJnaXZlbl9uYW1lIjoiTWFya3VzIiwiZmFtaWx5X25hbWUiOiJTY2hlaWRnZW4iLCJlbWFpbCI6Im1hcmt1cy5zY2hlaWRnZW5AZmhpLWJlcmxpbi5kZSJ9.cxUkEdOZcRBiu3oVzE2g3PS3j-YeBDYP-A2wtPMuoreeb6rDLrRSn6tGf_fOxTO0rsATPsdxCXv5u0Vmfg4WGSne1zqDFic9tkqZnA9YjvwTNf6ck5xVv6YqVgPKcmrtvqc1u7xlST5HUnnjceynJaH0AFE7BlTnXgqNKZpOnrOVt6Ku_ri6aHHrMCuCvTODRYzAyHAG5gdORxEmvYT6HyOWNEliU2lSXPKIy1955fDdSyCpzNyaKj9DCd6iMNt2ceQNmpUGH8f8CNs5-ULURnovG2vDLFzdPWT1zK-vEbyVRkmSL05GTIbAaCQGufRqtOcEQeL8wRvbv8gANBg5Pw", + "authorization": "Bearer eyJhbGciOiJSUzI1NiIsInR5cCIgOiAiSldUIiwia2lkIiA6ICJSWFFIV1YxSEJ6cmh5U3h3UmRDdkhCcUF1WVNKRzZWSEJSZXg0TW5oX293In0.eyJleHAiOjE3MjU5OTg0MTYsImlhdCI6MTcyNTk2MjQzMSwianRpIjoiZDdlZTg3YmItNmFmMy00MDU2LWE0Y2MtZTE2NDljNGQzMTkzIiwiaXNzIjoiaHR0cHM6Ly9ub21hZC1sYWIuZXUvZmFpcmRpL2tleWNsb2FrL2F1dGgvcmVhbG1zL2ZhaXJkaV9ub21hZF90ZXN0IiwiYXVkIjoiYWNjb3VudCIsInN1YiI6IjY4ODc4YWY3LTY4NDUtNDZjMC1iMmMxLTI1MGQ0ZDhlYjQ3MCIsInR5cCI6IkJlYXJlciIsImF6cCI6Im5vbWFkX2d1aV9kZXYiLCJzZXNzaW9uX3N0YXRlIjoiMTJiNjRiOGQtYzEwZS00YjBkLWEwNWQtNzcyMDA0NTQwODFjIiwiYWxsb3dlZC1vcmlnaW5zIjpbIioiXSwicmVhbG1fYWNjZXNzIjp7InJvbGVzIjpbIm9mZmxpbmVfYWNjZXNzIiwidW1hX2F1dGhvcml6YXRpb24iXX0sInJlc291cmNlX2FjY2VzcyI6eyJhY2NvdW50Ijp7InJvbGVzIjpbIm1hbmFnZS1hY2NvdW50IiwibWFuYWdlLWFjY291bnQtbGlua3MiLCJ2aWV3LXByb2ZpbGUiXX19LCJzY29wZSI6ImVtYWlsIHByb2ZpbGUiLCJzaWQiOiIxMmI2NGI4ZC1jMTBlLTRiMGQtYTA1ZC03NzIwMDQ1NDA4MWMiLCJlbWFpbF92ZXJpZmllZCI6dHJ1ZSwibmFtZSI6Ik1hcmt1cyBTY2hlaWRnZW4iLCJwcmVmZXJyZWRfdXNlcm5hbWUiOiJ0ZXN0IiwiZ2l2ZW5fbmFtZSI6Ik1hcmt1cyIsImZhbWlseV9uYW1lIjoiU2NoZWlkZ2VuIiwiZW1haWwiOiJtYXJrdXMuc2NoZWlkZ2VuQGZoaS1iZXJsaW4uZGUifQ.decOt_ACmpSKnBcV8Kdmvj-JO2AIs_bBsdlPoQkn4mvqaiIV_gEmdcNaO6twG7Cx-8m5cOh1ChNJKhXRCSVZ2UAHLc1bvnGl7xn9WjAVylhYffYpNv3GNRvIi2Bq2jfUIyFelTP12VbL_tH3w5uJYpsRBKfClyavSDnadPSUoOZ2aL34n7mEhPxyZN6b9K6SlwpcQw74za1kFPJgH9lS9SWQKGOBkyid9Vr9zhqwvFSbdl7_Fo0tD4Fny8HZQvatskOKlzFvlJV62vdhrM4zHZYpc487oF2wzlnQp_HBpWyCfjT8u8M1AkNoPtV5HDrlnkbTT1cd_BDroaXfmR1QPw", "cookie": null } }, @@ -20,6 +20,14 @@ "upload_id": "eln_upload_id", "references": [], "origin": "Markus Scheidgen", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "quantities": [ "", "data", @@ -38,12 +46,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -71,6 +81,7 @@ "metadata.published", "metadata.quantities", "metadata.references", + "metadata.reviewer_groups", "metadata.reviewers", "metadata.section_defs", "metadata.section_defs.definition_id", @@ -88,37 +99,38 @@ "results.eln.names", "results.eln.sections", "results.eln.tags", - "results.properties" + "results.properties", + "workflow2" ], "datasets": [], - "n_quantities": 65, - "nomad_version": "1.2.2.dev85+g6f47bb0a0", - "upload_create_time": "2023-10-20T21:08:49.528000+00:00", + "n_quantities": 70, + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", + "upload_create_time": "2024-09-10T10:00:25.959000+00:00", "nomad_commit": "", "section_defs": [ { "used_directly": true, - "definition_id": "7e0331d2df29682413535f00d4aad156783fee2e", + "definition_id": "281b3f02794414b4575aac4f6d804f6c00dd6eae", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Process" }, { "used_directly": true, - "definition_id": "030133d881170f0d9e31da6086ed5641f0c4403c", + "definition_id": "2c129e4f4108268e93bea200fc6ac38b0739670f", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" }, { "used_directly": true, - "definition_id": "f0086b987424b1001666c6f5df9ad1071164a27e", + "definition_id": "9c0ed706ce93a0e481afb71d216a634cc2712910", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes" }, { "used_directly": true, - "definition_id": "d39f4397900226398e6c17eb00467e874e5955c4", + "definition_id": "ef88c405666ed9ac5dd9d3325dce9c188659c5b6", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.HotplateAnnealing" }, { "used_directly": true, - "definition_id": "c640c9585e8d4549f248582763427a7dd7c417a0", + "definition_id": "591247c992edd218a157c9496992ccc1038c6af0", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.PvdEvaporation" }, { @@ -133,62 +145,62 @@ }, { "used_directly": true, - "definition_id": "1a38309e86abd87e7ef9ff7aa89560cf22ab111e", + "definition_id": "2e0f324d74f623f63c048985d91a97ad6cac2fa5", "definition_qualified_name": "nomad.datamodel.datamodel.EntryArchive" }, { "used_directly": true, - "definition_id": "f0581d7d21c72a241c4a770488125b5ddcf539d8", + "definition_id": "6edfa503af63b84d6a6021c227d00137b4c1cc9c", "definition_qualified_name": "nomad.datamodel.datamodel.EntryMetadata" }, { "used_directly": true, - "definition_id": "265ae33dbc9ace82b50260c1050d30c59ef9cb3c", + "definition_id": "1e3e9dd7b802b04343f46305a7d0f58663d8110a", "definition_qualified_name": "nomad.datamodel.datamodel.RFC3161Timestamp" }, { "used_directly": false, - "definition_id": "fc2735d177bf36f9718ca66a764a56fc0c6200a0", + "definition_id": "bd0abbd05794fb9a22acf98127f53b6c621a2649", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Activity" }, { "used_directly": false, - "definition_id": "add2edfa25a61ff3bbfdebacc870181f64f41634", + "definition_id": "106bafb5140238b4afe8128b8c341b5b3e927838", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.BaseSection" }, { "used_directly": true, - "definition_id": "c7254c9b461a4baec86cb3179e2f84513f5c9053", + "definition_id": "30fb4784b72778a7bb89b81f5aa1eb25312b2ae4", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.CompositeSystem" }, { "used_directly": false, - "definition_id": "7ce6bdcaa183a9685582b275e1c2b2ea3139c74d", + "definition_id": "8d478d6cfa9d129aeafe2e6f77d6fe3da6c000a0", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Entity" }, { "used_directly": false, - "definition_id": "8d81e1f95c60f39a6a8c9f954143a55e6f4c984c", + "definition_id": "937d37a2a0a3bdd1ee31d1e4c919497c018dfb44", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Process" }, { "used_directly": false, - "definition_id": "3ab3a09d615ab58aefbaa3acdd8d6af4e73aaae5", + "definition_id": "f503f05cfcac001f55d56db641463a38a301f4a5", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.System" }, { "used_directly": true, - "definition_id": "55ef08f33dcf9fb374aea217458bd34a23bec57b", + "definition_id": "bf82c8c5105b42f9390e7100b6206f55ecd75128", "definition_qualified_name": "nomad.datamodel.metainfo.plot.Figure" }, { "used_directly": true, - "definition_id": "7bb17e35ed91dca88bf6238fc51ed212693593d0", + "definition_id": "87acfd85bf428b623941380459a7867915a1e2ef", "definition_qualified_name": "nomad.datamodel.metainfo.plot.PlotSection" }, { "used_directly": true, - "definition_id": "491cdc3c5ea21cdc576275a5c1e600cdaa4256c1", + "definition_id": "c2b92af9ee552c12ea402015d72cc227c5a5005e", "definition_qualified_name": "nomad.datamodel.metainfo.plot.PlotlyFigure" }, { @@ -198,12 +210,12 @@ }, { "used_directly": true, - "definition_id": "43288046582240d7a33ec8b5fe4ca86988c2378c", + "definition_id": "3d0188853e1806435f95f9a876b83ed98ad38713", "definition_qualified_name": "nomad.datamodel.results.Properties" }, { "used_directly": true, - "definition_id": "ba0a320c9aa599c7c4a0af8c545f3cfe76cc4e70", + "definition_id": "1caea35fada02e0b6861ceec2dd928595fc824db", "definition_qualified_name": "nomad.datamodel.results.Results" }, { @@ -242,70 +254,8 @@ } }, "entry_name": "ELN example sample", - "last_processing_time": "2023-10-20T21:08:49.893000+00:00", + "last_processing_time": "2024-09-10T10:00:26.207000+00:00", "parser_name": "parsers/archive", - "searchable_quantities": [ - { - "text_value": "ELN example sample", - "path": "data.name", - "quantity_name": "name", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3" - }, - { - "text_value": "001", - "path": "data.lab_id", - "quantity_name": "lab_id", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - }, - { - "text_value": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", - "path": "data.description", - "quantity_name": "description", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - }, - { - "path": "data.substrate_type", - "quantity_name": "substrate_type", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3", - "keyword_value": "SLG" - }, - { - "path": "data.processes.pvd_evaporation.datetime", - "date_value": "2022-05-10T07:20:00+00:00", - "quantity_name": "datetime", - "section_definition": "nomad.datamodel.metainfo.basesections.Activity" - }, - { - "text_value": "PVDProcess.csv", - "path": "data.processes.pvd_evaporation.data_file", - "quantity_name": "data_file", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3/inner_section_definitions/0/inner_section_definitions/0" - }, - { - "path": "data.processes.hotplate_annealing.datetime", - "date_value": "2022-05-10T07:22:00+00:00", - "quantity_name": "datetime", - "section_definition": "nomad.datamodel.metainfo.basesections.Activity" - }, - { - "path": "data.processes.hotplate_annealing.set_temperature", - "quantity_name": "set_temperature", - "section_definition": 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"data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -453,6 +522,7 @@ "metadata.published", "metadata.quantities", "metadata.references", + "metadata.reviewer_groups", "metadata.reviewers", "metadata.section_defs", "metadata.section_defs.definition_id", @@ -470,37 +540,38 @@ "results.eln.names", "results.eln.sections", "results.eln.tags", - "results.properties" + "results.properties", + "workflow2" ], "datasets": [], - "n_quantities": 65, - "nomad_version": "1.2.2.dev85+g6f47bb0a0", - "upload_create_time": "2023-10-20T21:08:49.528000+00:00", + "n_quantities": 70, + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", + "upload_create_time": "2024-09-10T10:00:25.959000+00:00", "nomad_commit": "", "section_defs": [ { "used_directly": true, - "definition_id": "7e0331d2df29682413535f00d4aad156783fee2e", + "definition_id": "281b3f02794414b4575aac4f6d804f6c00dd6eae", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Process" }, { "used_directly": true, - "definition_id": "030133d881170f0d9e31da6086ed5641f0c4403c", + "definition_id": "2c129e4f4108268e93bea200fc6ac38b0739670f", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" }, { "used_directly": true, - "definition_id": "f0086b987424b1001666c6f5df9ad1071164a27e", + "definition_id": "9c0ed706ce93a0e481afb71d216a634cc2712910", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes" }, { "used_directly": true, - "definition_id": "d39f4397900226398e6c17eb00467e874e5955c4", + "definition_id": "ef88c405666ed9ac5dd9d3325dce9c188659c5b6", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.HotplateAnnealing" }, { "used_directly": true, - "definition_id": 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"nomad.datamodel.metainfo.plot.PlotlyFigure" }, { @@ -962,12 +1092,12 @@ }, { "used_directly": true, - "definition_id": "43288046582240d7a33ec8b5fe4ca86988c2378c", + "definition_id": "3d0188853e1806435f95f9a876b83ed98ad38713", "definition_qualified_name": "nomad.datamodel.results.Properties" }, { "used_directly": true, - "definition_id": "ba0a320c9aa599c7c4a0af8c545f3cfe76cc4e70", + "definition_id": "1caea35fada02e0b6861ceec2dd928595fc824db", "definition_qualified_name": "nomad.datamodel.results.Results" }, { @@ -1006,70 +1136,8 @@ } }, "entry_name": "ELN example sample", - "last_processing_time": "2023-10-20T21:08:49.893000+00:00", + "last_processing_time": "2024-09-10T10:00:26.207000+00:00", "parser_name": "parsers/archive", - "searchable_quantities": [ - { - "text_value": "ELN example sample", - "path": "data.name", - "quantity_name": "name", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3" - }, - { - 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], - "entry_create_time": "2023-10-20T21:08:49.604000+00:00", + "viewer_groups": [], + "entry_create_time": "2024-09-10T10:00:26.025000+00:00", "with_embargo": false, + "search_quantities": [ + { + "path_archive": "data.name", + "str_value": "ELN example sample", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.name", + "id": "data.name#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.lab_id", + "str_value": "001", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.lab_id", + "id": "data.lab_id#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.description", + "str_value": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.description", + "id": "data.description#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.substrate_type", + "str_value": "SLG", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.substrate_type", + "id": "data.substrate_type#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.datetime", + "datetime_value": "2022-05-10T07:20:00+00:00", + "definition": "nomad.datamodel.metainfo.basesections.Activity.datetime", + "id": "data.processes.pvd_evaporation.datetime#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.data_file", + "str_value": "PVDProcess.csv", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.PvdEvaporation.data_file", + "id": "data.processes.pvd_evaporation.data_file#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.figures.1.open", + "bool_value": false, + "definition": "nomad.datamodel.metainfo.plot.Figure.open", + "id": "data.processes.pvd_evaporation.figures.open#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.figures.2.open", + "bool_value": true, + "definition": "nomad.datamodel.metainfo.plot.Figure.open", + "id": "data.processes.pvd_evaporation.figures.open#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.fill_archive_from_datafile", + "bool_value": false, + "definition": "nomad.parsing.tabular.TableData.fill_archive_from_datafile", + "id": "data.processes.pvd_evaporation.fill_archive_from_datafile#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.hotplate_annealing.datetime", + "datetime_value": "2022-05-10T07:22:00+00:00", + "definition": "nomad.datamodel.metainfo.basesections.Activity.datetime", + "id": "data.processes.hotplate_annealing.datetime#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.hotplate_annealing.set_temperature", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.HotplateAnnealing.set_temperature", + "float_value": 373.15, + "id": "data.processes.hotplate_annealing.set_temperature#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.hotplate_annealing.duration", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.HotplateAnnealing.duration", + "float_value": 60, + "id": "data.processes.hotplate_annealing.duration#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.datetime", + "datetime_value": "2024-09-10T12:00:26.260767+00:00", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.datetime", + "id": "data.datetime#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + } + ], "files": [ "sample.archive.json", "PVDProcess.csv", @@ -1134,13 +1284,40 @@ "name": "Sheldon Cooper" } ], - "license": "CC BY 4.0" + "license": "CC BY 4.0", + "data": { + "name": "ELN example sample", + "lab_id": "001", + "description": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", + "substrate_type": "SLG", + "processes": { + "pvd_evaporation": { + "datetime": "2022-05-10T07:20:00+00:00", + "data_file": "PVDProcess.csv", + "figures": [ + null, + { + "open": false + }, + { + "open": true + } + ], + "fill_archive_from_datafile": false + }, + "hotplate_annealing": { + "datetime": "2022-05-10T07:22:00+00:00", + "set_temperature": 373.15, + "duration": 60 + } + }, + "datetime": "2024-09-10T12:00:26.260767+00:00" + } } }, "headers": { - "cache-control": "max-age=0, no-cache, no-store, must-revalidate", "connection": "close", - "content-length": "13756", + "content-length": "17042", "content-type": "application/json", "server": "uvicorn" } @@ -1168,6 +1345,16 @@ "electronic": { "greens_functions_electronic": "include-resolved", "dos_electronic": "include-resolved", + "dos_electronic_new": { + "data": { + "energies": "include-resolved", + "total": "include-resolved", + "energy_fermi": "*", + "energy_ref": "*", + "spin_channel": "*", + "band_gap": "include-resolved" + } + }, "band_structure_electronic": "include-resolved", "band_gap": "*" }, @@ -1186,7 +1373,7 @@ "headers": { "accept": "application/json", "content-type": "application/json", - "authorization": "Bearer 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"cookie": null } }, @@ -1208,6 +1395,16 @@ "electronic": { "greens_functions_electronic": "include-resolved", "dos_electronic": "include-resolved", + "dos_electronic_new": { + "data": { + "energies": "include-resolved", + "total": "include-resolved", + "energy_fermi": "*", + "energy_ref": "*", + "spin_channel": "*", + "band_gap": "include-resolved" + } + }, "band_structure_electronic": "include-resolved", "band_gap": "*" }, @@ -1230,14 +1427,22 @@ "archive": { "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T21:08:49.528000+00:00", + "upload_create_time": "2024-09-10T10:00:25.959000+00:00", "entry_id": "bC7byHvWJp62Sn9uiuJUB38MT5j-", "entry_name": "ELN example sample", "entry_type": "Sample", - "entry_hash": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "entry_create_time": "2023-10-20T21:08:49.604000+00:00", + "entry_hash": "QX2rtraaG5Zz5wAoB2HbSyvYpMnK", + "entry_create_time": "2024-09-10T10:00:26.025000+00:00", "parser_name": "parsers/archive", "mainfile": "sample.archive.json", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "files": [ "sample.archive.json", "PVDProcess.csv", @@ -1248,21 +1453,23 @@ "embargo_length": 0, "license": "CC BY 4.0", "processed": true, - "last_processing_time": "2023-10-20T21:08:49.893840+00:00", + "last_processing_time": "2024-09-10T10:00:26.207236+00:00", "processing_errors": [], - "nomad_version": "1.2.2.dev85+g6f47bb0a0", + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", "nomad_commit": "", "references": [], "main_author": "68878af7-6845-46c0-b2c1-250d4d8eb470", "coauthors": [ "a03af8b6-3aa7-428a-b3b1-4a6317e576b6" ], + "coauthor_groups": [], "entry_coauthors": [], "reviewers": [ "54cb1f64-f84e-4815-9ade-440ce0b5430f" ], + "reviewer_groups": [], "datasets": [], - "n_quantities": 65, + "n_quantities": 70, "quantities": [ "", "data", @@ -1281,12 +1488,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -1314,6 +1523,7 @@ "metadata.published", "metadata.quantities", "metadata.references", + "metadata.reviewer_groups", "metadata.reviewers", "metadata.section_defs", "metadata.section_defs.definition_id", @@ -1331,7 +1541,8 @@ "results.eln.names", "results.eln.sections", "results.eln.tags", - "results.properties" + "results.properties", + "workflow2" ], "sections": [ "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample", @@ -1347,35 +1558,35 @@ "nomad.datamodel.results.Results" ], "entry_timestamp": { - "token_seed": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "token": 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successfully", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:08.49", + "timestamp": "2024-09-10 12:00.26", "level": "INFO" }, { - "exec_time": "0.0003657341003417969", + "exec_time": "0.014763832092285156", "input_size": "1176", "event": "normalizer executed", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", - "normalizer": "ResultsNormalizer", - "step": "ResultsNormalizer", + "normalizer": "MetainfoNormalizer", + "step": "MetainfoNormalizer", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:08.49", + "timestamp": "2024-09-10 12:00.26", "level": "INFO" }, { - "normalizer": "MetainfoNormalizer", - "step": "MetainfoNormalizer", + "normalizer": "ResultsNormalizer", + "step": "ResultsNormalizer", "event": "normalizer completed successfully", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:08.49", + "timestamp": "2024-09-10 12:00.26", "level": "INFO" }, { - "exec_time": "0.01673126220703125", + "exec_time": "0.0002491474151611328", "input_size": "1176", "event": "normalizer executed", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", - "normalizer": "MetainfoNormalizer", - "step": "MetainfoNormalizer", + "normalizer": "ResultsNormalizer", + "step": "ResultsNormalizer", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:08.49", + "timestamp": "2024-09-10 12:00.26", "level": "INFO" }, { - "exec_time": "0.0036163330078125", + "exec_time": "0.007885217666625977", "event": "entry metadata saved", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:08.49", + "timestamp": "2024-09-10 12:00.26", "level": "INFO" }, { - "exec_time": "0.009942293167114258", + "exec_time": "0.016360998153686523", "event": "entry metadata indexed", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:08.49", + "timestamp": "2024-09-10 12:00.26", "level": "INFO" } ], "data": { "m_def": "../upload/raw/schema.archive.yaml#/definitions/section_definitions/3", "name": "ELN example sample", - "datetime": "2023-10-20T23:08:49.949982+00:00", + "datetime": "2024-09-10T12:00:26.260767+00:00", "lab_id": "001", "description": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", "tags": [ @@ -2059,6 +2290,7 @@ } }, { + "open": false, "figure": { "data": { "x": "#time", @@ -2067,6 +2299,7 @@ } }, { + "open": true, "figure": { "data": { "x": "#time", @@ -2083,16 +2316,25 @@ } } }, + "workflow2": {}, "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T21:08:49.528000+00:00", + "upload_create_time": "2024-09-10T10:00:25.959000+00:00", "entry_id": "bC7byHvWJp62Sn9uiuJUB38MT5j-", "entry_name": "ELN example sample", "entry_type": "Sample", - "entry_hash": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "entry_create_time": "2023-10-20T21:08:49.604000+00:00", + "entry_hash": "QX2rtraaG5Zz5wAoB2HbSyvYpMnK", + "entry_create_time": "2024-09-10T10:00:26.025000+00:00", "parser_name": "parsers/archive", "mainfile": "sample.archive.json", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "files": [ "sample.archive.json", "PVDProcess.csv", @@ -2103,21 +2345,23 @@ "embargo_length": 0, "license": "CC BY 4.0", "processed": true, - "last_processing_time": "2023-10-20T21:08:49.893840+00:00", + "last_processing_time": "2024-09-10T10:00:26.207236+00:00", "processing_errors": [], - "nomad_version": "1.2.2.dev85+g6f47bb0a0", + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", "nomad_commit": "", "references": [], "main_author": "68878af7-6845-46c0-b2c1-250d4d8eb470", "coauthors": [ "a03af8b6-3aa7-428a-b3b1-4a6317e576b6" ], + "coauthor_groups": [], "entry_coauthors": [], "reviewers": [ "54cb1f64-f84e-4815-9ade-440ce0b5430f" ], + "reviewer_groups": [], "datasets": [], - "n_quantities": 65, + "n_quantities": 70, "quantities": [ "", "data", @@ -2136,12 +2380,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", 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annealing). </p>\\n<p>The sample also show references to other entries (chemicals, instruments).</p>\\n<p> </p>\"\n }\n}\n", "headers": { - "cache-control": "max-age=0, no-cache, no-store, must-revalidate", "connection": "close", "content-disposition": "attachment; filename=\"sample.archive.json\"", "content-type": "application/octet-stream", @@ -2548,7 +2908,7 @@ "headers": { "accept": "application/json", "content-type": "application/json", - "authorization": "Bearer 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"cookie": null } }, @@ -2595,7 +2955,7 @@ }, "name": "form", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "crystalline solid", "powder" @@ -2729,7 +3089,7 @@ }, "name": "tags", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "internal", "collaboration", @@ -2774,7 +3134,7 @@ }, "name": "substrate_type", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "Fused quartz glass", "SLG", @@ -2898,13 +3258,15 @@ "data": { "x": "#time", "y": "#chamber_pressure" - } + }, + "open": false }, { "data": { "x": "#time", "y": "#substrate_temperature" - } + }, + "open": true } ] }, @@ -3091,14 +3453,15 @@ }, "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T21:08:49.528000+00:00", + "upload_create_time": "2024-09-10T10:00:25.959000+00:00", "entry_id": "83DS7AzwqTKFVwlrdVeaL3kMSLU_", "entry_name": "Electronic Lab Notebook example schema", "entry_type": "Schema", - "entry_hash": 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"cookie": null } }, "response": { "status": 200, - "body": "# Schemas can be defined as yaml files like this. The archive.yaml format will be\n# interpreted by nomad as a nomad archive. Therefore, all definitions have to be\n# put in a top-level section called \"definitions\"\ndefinitions:\n # The \"definitions\" section is interpreted as a nomad schema package\n # Schema packages can have a name:\n name: 'Electronic Lab Notebook example schema'\n # Schema packages contain section definitions. This is where the interesting schema\n # information begins.\n sections:\n # Here we define a section called \"Chemical\":\n Chemical:\n # Section definition can have base_sections. Base sections are other schema\n # definition and all properties of these will be inherited.\n base_sections:\n - 'nomad.datamodel.metainfo.eln.Chemical' # Provides typical quantities like name, descriptions, chemical_formula and makes those available for search\n - 'nomad.datamodel.data.EntryData' # Declares this as a top-level entry section. This determines the types of entries you can create. With this we will be able to create a \"Chemical\" entry.\n # All definitions, sections, sub_sections, quantities, can provide a description.\n description: |\n This is an example description for Chemical.\n A description can contain **markdown** markup and TeX formulas, like $\\sum\\limits_{i=0}^{n}$.\n # Sections define quantities. Quantities allow to manage actual data. Quantities\n # can have various types, shapes, and units.\n quantities:\n # Here we define a quantity called \"from\"\n form:\n # This defines a Enum type with pre-defined possible values.\n type:\n type_kind: Enum\n type_data:\n - crystalline solid\n - powder\n # Annotations allow to provide additional information that is beyond just defining\n # the possible data.\n m_annotations:\n # The eln annotation allows add the quantity to a ELN\n eln:\n component: EnumEditQuantity # A form field component for EnumQuantities that uses a pull down menu.\n cas_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n ec_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n Instrument:\n base_sections:\n - nomad.datamodel.metainfo.eln.Instrument\n - nomad.datamodel.data.EntryData\n Process:\n base_section: nomad.datamodel.metainfo.eln.Process\n quantities:\n instrument:\n type: '#/Instrument'\n m_annotations:\n eln:\n component: ReferenceEditQuantity\n Sample:\n m_annotations:\n # The template annotation allows to define what freshly created entries (instances of this schema) will look like.\n # In this example we create a sample with an empty pvd_evaporation process.\n template:\n processes:\n pvd_evaporation: {}\n eln:\n base_sections:\n - 'nomad.datamodel.metainfo.basesections.CompositeSystem'\n - 'nomad.datamodel.data.EntryData'\n quantities:\n name:\n type: str # The simple string type\n default: Default Sample Name\n m_annotations:\n eln:\n component: StringEditQuantity # A simple text edit form field\n tags:\n type:\n type_kind: Enum\n type_data:\n - internal\n - collaboration\n - project\n - other\n shape: ['*'] # Shapes define non scalar values, like lists ['*'], vectors ['*', 3], etc.\n m_annotations:\n eln:\n component: AutocompleteEditQuantity # Allows to edit enums with an auto complete text form field\n chemicals:\n type: '#/Chemical' # Types can also be other sections. This allows to reference a different section.\n shape: ['*']\n m_annotations:\n eln:\n component: ReferenceEditQuantity # A editor component that allows to select from available \"Chemical\"s\n substrate_type:\n type:\n type_kind: Enum\n type_data:\n - Fused quartz glass\n - SLG\n - other\n m_annotations:\n eln:\n component: RadioEnumEditQuantity\n substrate_thickness:\n type: np.float64\n unit: m\n m_annotations:\n eln:\n component: NumberEditQuantity\n sample_is_from_collaboration:\n type: bool\n m_annotations:\n eln:\n component: BoolEditQuantity\n # Besides quantities, a section can define sub_sections. This allows hierarchies\n # of information.\n sub_sections:\n # Here we define a sub_section of \"Sample\" called \"processes\"\n processes:\n section:\n # The sub-section's section, is itself a section definition\n m_annotations:\n eln: # adds the sub-section to the eln and allows users to create new instances of this sub-section\n # We can also nest sub_sections. It goes aribitrarely deep.\n sub_sections:\n pvd_evaporation:\n section:\n base_sections: ['Process', 'nomad.parsing.tabular.TableData', 'nomad.datamodel.metainfo.plot.PlotSection']\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description', 'method']\n # Plots are shown in the eln. Currently we only support simple x,y\n # line plots\n plotly_graph_object:\n - data:\n - x: \"#time\"\n y: \"#chamber_pressure\"\n - x: \"#time\"\n y: \"#substrate_temperature\"\n yaxis: y2\n layout:\n title:\n text: Pressure and Temperature over Time\n yaxis2:\n overlaying: y\n side: right\n - data:\n x: \"#time\"\n y: \"#chamber_pressure\"\n - data:\n x: \"#time\"\n y: \"#substrate_temperature\"\n quantities:\n data_file:\n type: str\n description: |\n A reference to an uploaded .csv produced by the PVD evaporation instruments\n control software.\n m_annotations:\n # The tabular_parser annotation, will treat the values of this\n # quantity as files. It will try to interpret the files and fill\n # quantities in this section (and sub_section) with the column\n # data of .csv or .xlsx files. There is also a mode option that by default, is set to column.\n tabular_parser:\n parsing_options:\n comment: '#'\n sep: '\\t'\n mapping_options:\n - mapping_mode: column\n file_mode: current_entry\n sections:\n - '#root'\n browser:\n adaptor: RawFileAdaptor # Allows to navigate to files in the data browser\n eln:\n component: FileEditQuantity # A form field that allows to drop and select files.\n time:\n type: np.float64\n shape: ['*']\n unit: s\n m_annotations:\n # The tabular annotation defines a mapping to column headers used in\n # tabular data files\n tabular:\n name: Process Time in seconds\n chamber_pressure:\n type: np.float64\n shape: ['*']\n unit: mbar\n m_annotations:\n eln:\n # component: NumberEditQuantity\n # defaultDisplayUnit: mbar ## MUST NOT BE AN ARRAY FOR THIS https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/932\n tabular:\n name: Vacuum Pressure1\n substrate_temperature:\n type: np.float64\n shape: ['*']\n unit: kelvin\n m_annotations:\n tabular:\n name: Substrate PV\n unit: degC\n hotplate_annealing:\n section:\n base_section: Process\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description']\n quantities:\n set_temperature:\n type: np.float64 # For actual numbers, we use numpy datatypes\n unit: K # The unit system is based on Pint and allows all kinds of abreviations, prefixes, and complex units\n m_annotations:\n eln:\n component: NumberEditQuantity # A component to enter numbers (with units)\n duration:\n type: np.float64\n unit: s\n m_annotations:\n eln:\n component: NumberEditQuantity\n\n", + "body": "# Schemas can be defined as yaml files like this. The archive.yaml format will be\n# interpreted by nomad as a nomad archive. Therefore, all definitions have to be\n# put in a top-level section called \"definitions\"\ndefinitions:\n # The \"definitions\" section is interpreted as a nomad schema package\n # Schema packages can have a name:\n name: 'Electronic Lab Notebook example schema'\n # Schema packages contain section definitions. This is where the interesting schema\n # information begins.\n sections:\n # Here we define a section called \"Chemical\":\n Chemical:\n # Section definition can have base_sections. Base sections are other schema\n # definition and all properties of these will be inherited.\n base_sections:\n - 'nomad.datamodel.metainfo.eln.Chemical' # Provides typical quantities like name, descriptions, chemical_formula and makes those available for search\n - 'nomad.datamodel.data.EntryData' # Declares this as a top-level entry section. This determines the types of entries you can create. With this we will be able to create a \"Chemical\" entry.\n # All definitions, sections, sub_sections, quantities, can provide a description.\n description: |\n This is an example description for Chemical.\n A description can contain **markdown** markup and TeX formulas, like $\\sum\\limits_{i=0}^{n}$.\n # Sections define quantities. Quantities allow to manage actual data. Quantities\n # can have various types, shapes, and units.\n quantities:\n # Here we define a quantity called \"from\"\n form:\n # This defines a Enum type with pre-defined possible values.\n type:\n type_kind: Enum\n type_data:\n - crystalline solid\n - powder\n # Annotations allow to provide additional information that is beyond just defining\n # the possible data.\n m_annotations:\n # The eln annotation allows add the quantity to a ELN\n eln:\n component: EnumEditQuantity # A form field component for EnumQuantities that uses a pull down menu.\n cas_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n ec_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n Instrument:\n base_sections:\n - nomad.datamodel.metainfo.eln.Instrument\n - nomad.datamodel.data.EntryData\n Process:\n base_section: nomad.datamodel.metainfo.eln.Process\n quantities:\n instrument:\n type: '#/Instrument'\n m_annotations:\n eln:\n component: ReferenceEditQuantity\n Sample:\n m_annotations:\n # The template annotation allows to define what freshly created entries (instances of this schema) will look like.\n # In this example we create a sample with an empty pvd_evaporation process.\n template:\n processes:\n pvd_evaporation: {}\n eln:\n base_sections:\n - 'nomad.datamodel.metainfo.basesections.CompositeSystem'\n - 'nomad.datamodel.data.EntryData'\n quantities:\n name:\n type: str # The simple string type\n default: Default Sample Name\n m_annotations:\n eln:\n component: StringEditQuantity # A simple text edit form field\n tags:\n type:\n type_kind: Enum\n type_data:\n - internal\n - collaboration\n - project\n - other\n shape: ['*'] # Shapes define non scalar values, like lists ['*'], vectors ['*', 3], etc.\n m_annotations:\n eln:\n component: AutocompleteEditQuantity # Allows to edit enums with an auto complete text form field\n chemicals:\n type: '#/Chemical' # Types can also be other sections. This allows to reference a different section.\n shape: ['*']\n m_annotations:\n eln:\n component: ReferenceEditQuantity # A editor component that allows to select from available \"Chemical\"s\n substrate_type:\n type:\n type_kind: Enum\n type_data:\n - Fused quartz glass\n - SLG\n - other\n m_annotations:\n eln:\n component: RadioEnumEditQuantity\n substrate_thickness:\n type: np.float64\n unit: m\n m_annotations:\n eln:\n component: NumberEditQuantity\n sample_is_from_collaboration:\n type: bool\n m_annotations:\n eln:\n component: BoolEditQuantity\n # Besides quantities, a section can define sub_sections. This allows hierarchies\n # of information.\n sub_sections:\n # Here we define a sub_section of \"Sample\" called \"processes\"\n processes:\n section:\n # The sub-section's section, is itself a section definition\n m_annotations:\n eln: # adds the sub-section to the eln and allows users to create new instances of this sub-section\n # We can also nest sub_sections. It goes aribitrarely deep.\n sub_sections:\n pvd_evaporation:\n section:\n base_sections: ['Process', 'nomad.parsing.tabular.TableData', 'nomad.datamodel.metainfo.plot.PlotSection']\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description', 'method']\n # Plots are shown in the eln. Currently we only support simple x,y\n # line plots\n plotly_graph_object:\n - data:\n - x: \"#time\"\n y: \"#chamber_pressure\"\n - x: \"#time\"\n y: \"#substrate_temperature\"\n yaxis: y2\n layout:\n title:\n text: Pressure and Temperature over Time\n yaxis2:\n overlaying: y\n side: right\n - data:\n x: \"#time\"\n y: \"#chamber_pressure\"\n open: false\n - data:\n x: \"#time\"\n y: \"#substrate_temperature\"\n open: true\n quantities:\n data_file:\n type: str\n description: |\n A reference to an uploaded .csv produced by the PVD evaporation instruments\n control software.\n m_annotations:\n # The tabular_parser annotation, will treat the values of this\n # quantity as files. It will try to interpret the files and fill\n # quantities in this section (and sub_section) with the column\n # data of .csv or .xlsx files. There is also a mode option that by default, is set to column.\n tabular_parser:\n parsing_options:\n comment: '#'\n sep: '\\t'\n mapping_options:\n - mapping_mode: column\n file_mode: current_entry\n sections:\n - '#root'\n browser:\n adaptor: RawFileAdaptor # Allows to navigate to files in the data browser\n eln:\n component: FileEditQuantity # A form field that allows to drop and select files.\n time:\n type: np.float64\n shape: ['*']\n unit: s\n m_annotations:\n # The tabular annotation defines a mapping to column headers used in\n # tabular data files\n tabular:\n name: Process Time in seconds\n chamber_pressure:\n type: np.float64\n shape: ['*']\n unit: mbar\n m_annotations:\n eln:\n # component: NumberEditQuantity\n # defaultDisplayUnit: mbar ## MUST NOT BE AN ARRAY FOR THIS https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/932\n tabular:\n name: Vacuum Pressure1\n substrate_temperature:\n type: np.float64\n shape: ['*']\n unit: kelvin\n m_annotations:\n tabular:\n name: Substrate PV\n unit: degC\n hotplate_annealing:\n section:\n base_section: Process\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description']\n quantities:\n set_temperature:\n type: np.float64 # For actual numbers, we use numpy datatypes\n unit: K # The unit system is based on Pint and allows all kinds of abreviations, prefixes, and complex units\n m_annotations:\n eln:\n component: NumberEditQuantity # A component to enter numbers (with units)\n duration:\n type: np.float64\n unit: s\n m_annotations:\n eln:\n component: NumberEditQuantity\n\n", "headers": { - "cache-control": "max-age=0, no-cache, no-store, must-revalidate", "connection": "close", "content-disposition": "attachment; filename=\"schema.archive.yaml\"", "content-type": "application/octet-stream", diff --git a/gui/tests/data/entry/eln-coauthor.json b/gui/tests/data/entry/eln-coauthor.json index 69a6cf5f6c06745eb17a2215912bb1586e77f090..184696aff159d27d32447feb25fa7506c2ae86a2 100644 --- a/gui/tests/data/entry/eln-coauthor.json +++ b/gui/tests/data/entry/eln-coauthor.json @@ -7,7 +7,7 @@ "body": "", "headers": { "accept": "application/json", - "authorization": "Bearer eyJhbGciOiJSUzI1NiIsInR5cCIgOiAiSldUIiwia2lkIiA6ICJSWFFIV1YxSEJ6cmh5U3h3UmRDdkhCcUF1WVNKRzZWSEJSZXg0TW5oX293In0.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.DARYVBMhqn88zjPIRmLroLxjXeeRBGF3BBYxXziSAzbuSVqjsvmTbTi77AGSInuoiENDHuxQwbnininvnpurLPDQiZPK0a8ymkjmkDouABmu1fLUKtfcKzRMqRkjNT7pdqBH9pFDhUjmIzKqtNk2OVq7PwoAffbwnmwALGTTjLbFxFgFsD_wEzWXKS2FLaZEV4Fc0XIOJF-cajBIQv4JfwFoLQONjA7YXtOElSK-nsAaetcfF9DLbbhOzdsXIB-0lHnGUFsv2Zew2vyaSBNhlq92pCxgYsGz7nJbNwiryB8JGiK1LBII07V8IM0t5yUwmGFypZfBsFDSEuOXsgc_rQ", + "authorization": "Bearer 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"cookie": null } }, @@ -20,6 +20,14 @@ "upload_id": "eln_upload_id", "references": [], "origin": "Markus Scheidgen", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "quantities": [ "", "data", @@ -38,12 +46,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -71,6 +81,7 @@ "metadata.published", "metadata.quantities", "metadata.references", + "metadata.reviewer_groups", "metadata.reviewers", "metadata.section_defs", "metadata.section_defs.definition_id", @@ -88,37 +99,38 @@ "results.eln.names", "results.eln.sections", "results.eln.tags", - "results.properties" + "results.properties", + "workflow2" ], "datasets": [], - "n_quantities": 65, - "nomad_version": "1.2.2.dev85+g6f47bb0a0", - "upload_create_time": "2023-10-20T21:11:44.447000+00:00", + "n_quantities": 70, + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", + "upload_create_time": "2024-09-10T10:03:32.290000+00:00", "nomad_commit": "", "section_defs": [ { "used_directly": true, - "definition_id": "7e0331d2df29682413535f00d4aad156783fee2e", + "definition_id": "281b3f02794414b4575aac4f6d804f6c00dd6eae", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Process" }, { "used_directly": true, - "definition_id": "030133d881170f0d9e31da6086ed5641f0c4403c", + "definition_id": "2c129e4f4108268e93bea200fc6ac38b0739670f", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" }, { "used_directly": true, - "definition_id": "f0086b987424b1001666c6f5df9ad1071164a27e", + "definition_id": "9c0ed706ce93a0e481afb71d216a634cc2712910", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes" }, { "used_directly": true, - "definition_id": "d39f4397900226398e6c17eb00467e874e5955c4", + "definition_id": "ef88c405666ed9ac5dd9d3325dce9c188659c5b6", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.HotplateAnnealing" }, { "used_directly": true, - "definition_id": "c640c9585e8d4549f248582763427a7dd7c417a0", + "definition_id": "591247c992edd218a157c9496992ccc1038c6af0", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.PvdEvaporation" }, { @@ -133,62 +145,62 @@ }, { "used_directly": true, - "definition_id": "1a38309e86abd87e7ef9ff7aa89560cf22ab111e", + "definition_id": "2e0f324d74f623f63c048985d91a97ad6cac2fa5", "definition_qualified_name": "nomad.datamodel.datamodel.EntryArchive" }, { "used_directly": true, - "definition_id": "f0581d7d21c72a241c4a770488125b5ddcf539d8", + "definition_id": "6edfa503af63b84d6a6021c227d00137b4c1cc9c", "definition_qualified_name": "nomad.datamodel.datamodel.EntryMetadata" }, { "used_directly": true, - "definition_id": "265ae33dbc9ace82b50260c1050d30c59ef9cb3c", + "definition_id": "1e3e9dd7b802b04343f46305a7d0f58663d8110a", "definition_qualified_name": "nomad.datamodel.datamodel.RFC3161Timestamp" }, { "used_directly": false, - "definition_id": "fc2735d177bf36f9718ca66a764a56fc0c6200a0", + "definition_id": "bd0abbd05794fb9a22acf98127f53b6c621a2649", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Activity" }, { "used_directly": false, - "definition_id": "add2edfa25a61ff3bbfdebacc870181f64f41634", + "definition_id": "106bafb5140238b4afe8128b8c341b5b3e927838", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.BaseSection" }, { "used_directly": true, - "definition_id": "c7254c9b461a4baec86cb3179e2f84513f5c9053", + "definition_id": "30fb4784b72778a7bb89b81f5aa1eb25312b2ae4", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.CompositeSystem" }, { "used_directly": false, - "definition_id": "7ce6bdcaa183a9685582b275e1c2b2ea3139c74d", + "definition_id": "8d478d6cfa9d129aeafe2e6f77d6fe3da6c000a0", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Entity" }, { "used_directly": false, - "definition_id": "8d81e1f95c60f39a6a8c9f954143a55e6f4c984c", + "definition_id": "937d37a2a0a3bdd1ee31d1e4c919497c018dfb44", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Process" }, { "used_directly": false, - "definition_id": "3ab3a09d615ab58aefbaa3acdd8d6af4e73aaae5", + "definition_id": "f503f05cfcac001f55d56db641463a38a301f4a5", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.System" }, { "used_directly": true, - "definition_id": "55ef08f33dcf9fb374aea217458bd34a23bec57b", + "definition_id": "bf82c8c5105b42f9390e7100b6206f55ecd75128", "definition_qualified_name": "nomad.datamodel.metainfo.plot.Figure" }, { "used_directly": true, - "definition_id": "7bb17e35ed91dca88bf6238fc51ed212693593d0", + "definition_id": "87acfd85bf428b623941380459a7867915a1e2ef", "definition_qualified_name": "nomad.datamodel.metainfo.plot.PlotSection" }, { "used_directly": true, - "definition_id": "491cdc3c5ea21cdc576275a5c1e600cdaa4256c1", + "definition_id": "c2b92af9ee552c12ea402015d72cc227c5a5005e", "definition_qualified_name": "nomad.datamodel.metainfo.plot.PlotlyFigure" }, { @@ -198,12 +210,12 @@ }, { "used_directly": true, - "definition_id": "43288046582240d7a33ec8b5fe4ca86988c2378c", + "definition_id": "3d0188853e1806435f95f9a876b83ed98ad38713", "definition_qualified_name": "nomad.datamodel.results.Properties" }, { "used_directly": true, - "definition_id": "ba0a320c9aa599c7c4a0af8c545f3cfe76cc4e70", + "definition_id": "1caea35fada02e0b6861ceec2dd928595fc824db", "definition_qualified_name": "nomad.datamodel.results.Results" }, { @@ -242,70 +254,8 @@ } }, "entry_name": "ELN example sample", - "last_processing_time": "2023-10-20T21:11:44.763000+00:00", + "last_processing_time": "2024-09-10T10:03:32.550000+00:00", "parser_name": "parsers/archive", - "searchable_quantities": [ - { - "text_value": "ELN example sample", - "path": "data.name", - "quantity_name": "name", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3" - }, - { - "text_value": "001", - "path": "data.lab_id", - "quantity_name": "lab_id", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - }, - { - "text_value": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", - "path": "data.description", - "quantity_name": "description", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - }, - { - "path": "data.substrate_type", - "quantity_name": "substrate_type", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3", - "keyword_value": "SLG" - }, - { - "path": "data.processes.pvd_evaporation.datetime", - "date_value": "2022-05-10T07:20:00+00:00", - "quantity_name": "datetime", - "section_definition": "nomad.datamodel.metainfo.basesections.Activity" - }, - { - "text_value": "PVDProcess.csv", - "path": "data.processes.pvd_evaporation.data_file", - "quantity_name": "data_file", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3/inner_section_definitions/0/inner_section_definitions/0" - }, - { - "path": "data.processes.hotplate_annealing.datetime", - "date_value": "2022-05-10T07:22:00+00:00", - "quantity_name": "datetime", - "section_definition": "nomad.datamodel.metainfo.basesections.Activity" - }, - { - "path": "data.processes.hotplate_annealing.set_temperature", - "quantity_name": "set_temperature", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3/inner_section_definitions/0/inner_section_definitions/1", - "double_value": 373.15 - }, - { - "path": "data.processes.hotplate_annealing.duration", - "quantity_name": "duration", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3/inner_section_definitions/0/inner_section_definitions/1", - "double_value": 60 - }, - { - "path": "data.datetime", - "date_value": "2023-10-20T23:11:44.823365+00:00", - "quantity_name": "datetime", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - } - ], "calc_id": "bC7byHvWJp62Sn9uiuJUB38MT5j-", "published": false, "writers": [ @@ -318,6 +268,7 @@ "name": "Sheldon Cooper" } ], + "writer_groups": [], "sections": [ "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample", "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes", @@ -351,8 +302,89 @@ "name": "Test Tester" } ], - "entry_create_time": "2023-10-20T21:11:44.513000+00:00", + "viewer_groups": [], + "entry_create_time": "2024-09-10T10:03:32.368000+00:00", "with_embargo": false, + "search_quantities": [ + { + "path_archive": "data.name", + "str_value": "ELN example sample", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.name", + "id": "data.name#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.lab_id", + "str_value": "001", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.lab_id", + "id": "data.lab_id#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.description", + "str_value": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.description", + "id": "data.description#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.substrate_type", + "str_value": "SLG", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.substrate_type", + "id": "data.substrate_type#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.datetime", + "datetime_value": "2022-05-10T07:20:00+00:00", + "definition": "nomad.datamodel.metainfo.basesections.Activity.datetime", + "id": "data.processes.pvd_evaporation.datetime#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.data_file", + "str_value": "PVDProcess.csv", + "definition": 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"data": { + "energies": "include-resolved", + "total": "include-resolved", + "energy_fermi": "*", + "energy_ref": "*", + "spin_channel": "*", + "band_gap": "include-resolved" + } + }, "band_structure_electronic": "include-resolved", "band_gap": "*" }, @@ -1186,7 +1526,7 @@ "headers": { "accept": "application/json", "content-type": "application/json", - "authorization": "Bearer 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"cookie": null } }, @@ -1208,6 +1548,16 @@ "electronic": { "greens_functions_electronic": "include-resolved", "dos_electronic": "include-resolved", + "dos_electronic_new": { + "data": { + "energies": "include-resolved", + "total": "include-resolved", + "energy_fermi": "*", + "energy_ref": "*", + "spin_channel": "*", + "band_gap": "include-resolved" + } + }, "band_structure_electronic": "include-resolved", "band_gap": "*" }, @@ -1230,14 +1580,22 @@ "archive": { "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T21:11:44.447000+00:00", + "upload_create_time": "2024-09-10T10:03:32.290000+00:00", "entry_id": "bC7byHvWJp62Sn9uiuJUB38MT5j-", "entry_name": "ELN example sample", "entry_type": "Sample", - "entry_hash": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "entry_create_time": "2023-10-20T21:11:44.513000+00:00", + "entry_hash": "QX2rtraaG5Zz5wAoB2HbSyvYpMnK", + "entry_create_time": "2024-09-10T10:03:32.368000+00:00", "parser_name": "parsers/archive", "mainfile": "sample.archive.json", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "files": [ "sample.archive.json", "PVDProcess.csv", @@ -1248,21 +1606,23 @@ "embargo_length": 0, "license": "CC BY 4.0", "processed": true, - "last_processing_time": "2023-10-20T21:11:44.763742+00:00", + "last_processing_time": "2024-09-10T10:03:32.550672+00:00", "processing_errors": [], - "nomad_version": "1.2.2.dev85+g6f47bb0a0", + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", "nomad_commit": "", "references": [], "main_author": "68878af7-6845-46c0-b2c1-250d4d8eb470", "coauthors": [ "a03af8b6-3aa7-428a-b3b1-4a6317e576b6" ], + "coauthor_groups": [], "entry_coauthors": [], "reviewers": [ "54cb1f64-f84e-4815-9ade-440ce0b5430f" ], + "reviewer_groups": [], "datasets": [], - "n_quantities": 65, + "n_quantities": 70, "quantities": [ "", "data", @@ -1281,12 +1641,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -1314,6 +1676,7 @@ "metadata.published", "metadata.quantities", 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"cookie": null } }, @@ -1783,104 +2167,104 @@ "event": "Executing celery task", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "DEBUG" }, { - "exec_time": "0.03464984893798828", + "exec_time": "0.04406595230102539", "input_size": "1176", "event": "parser executed", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "step": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "INFO" }, { - "normalizer": "ResultsNormalizer", - "step": "ResultsNormalizer", + "normalizer": "MetainfoNormalizer", + "step": "MetainfoNormalizer", "event": "normalizer completed successfully", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "INFO" }, { - "exec_time": "0.0003025531768798828", + "exec_time": "0.018088340759277344", "input_size": "1176", "event": "normalizer executed", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", - "normalizer": "ResultsNormalizer", - "step": "ResultsNormalizer", + "normalizer": "MetainfoNormalizer", + "step": "MetainfoNormalizer", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "INFO" }, { - "normalizer": "MetainfoNormalizer", - "step": "MetainfoNormalizer", + "normalizer": "ResultsNormalizer", + "step": "ResultsNormalizer", "event": "normalizer completed successfully", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "INFO" }, { - "exec_time": "0.017973899841308594", + "exec_time": "0.00029730796813964844", "input_size": "1176", "event": "normalizer executed", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", - "normalizer": "MetainfoNormalizer", - "step": "MetainfoNormalizer", + "normalizer": "ResultsNormalizer", + "step": "ResultsNormalizer", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "INFO" }, { - "exec_time": "0.003522157669067383", + "exec_time": "0.009899377822875977", "event": "entry metadata saved", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "INFO" }, { - "exec_time": "0.010565519332885742", + "exec_time": "0.020615816116333008", "event": "entry metadata indexed", "proc": "Entry", "process": "process_entry", - "process_worker_id": "9VM-FvfITtmASXYbk7Y9sg", + "process_worker_id": "IZW0mY5YQV26EEanXP833Q", "parser": "parsers/archive", "logger": "nomad.processing", - "timestamp": "2023-10-20 23:11.44", + "timestamp": "2024-09-10 12:03.32", "level": "INFO" } ], "data": { "m_def": "../upload/raw/schema.archive.yaml#/definitions/section_definitions/3", "name": "ELN example sample", - "datetime": "2023-10-20T23:11:44.823365+00:00", + "datetime": "2024-09-10T12:03:32.614908+00:00", "lab_id": "001", "description": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", "tags": [ @@ -2059,6 +2443,7 @@ } }, { + "open": false, "figure": { "data": { "x": "#time", @@ -2067,6 +2452,7 @@ } }, { + "open": true, "figure": { "data": { "x": "#time", @@ -2083,16 +2469,25 @@ } } }, + "workflow2": {}, "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T21:11:44.447000+00:00", + "upload_create_time": "2024-09-10T10:03:32.290000+00:00", "entry_id": "bC7byHvWJp62Sn9uiuJUB38MT5j-", "entry_name": "ELN example sample", "entry_type": "Sample", - "entry_hash": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "entry_create_time": "2023-10-20T21:11:44.513000+00:00", + "entry_hash": "QX2rtraaG5Zz5wAoB2HbSyvYpMnK", + "entry_create_time": "2024-09-10T10:03:32.368000+00:00", "parser_name": "parsers/archive", "mainfile": "sample.archive.json", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "files": [ "sample.archive.json", "PVDProcess.csv", @@ -2103,21 +2498,23 @@ "embargo_length": 0, "license": "CC BY 4.0", "processed": true, - "last_processing_time": "2023-10-20T21:11:44.763742+00:00", + "last_processing_time": "2024-09-10T10:03:32.550672+00:00", "processing_errors": [], - "nomad_version": "1.2.2.dev85+g6f47bb0a0", + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", "nomad_commit": "", "references": [], "main_author": "68878af7-6845-46c0-b2c1-250d4d8eb470", "coauthors": [ "a03af8b6-3aa7-428a-b3b1-4a6317e576b6" ], + "coauthor_groups": [], "entry_coauthors": [], "reviewers": [ "54cb1f64-f84e-4815-9ade-440ce0b5430f" ], + "reviewer_groups": [], "datasets": [], - "n_quantities": 65, + "n_quantities": 70, "quantities": [ "", "data", @@ -2136,12 +2533,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -2169,6 +2568,7 @@ "metadata.published", "metadata.quantities", "metadata.references", + "metadata.reviewer_groups", "metadata.reviewers", "metadata.section_defs", "metadata.section_defs.definition_id", @@ -2186,7 +2586,8 @@ "results.eln.names", "results.eln.sections", "results.eln.tags", - "results.properties" + "results.properties", + "workflow2" ], "sections": [ "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample", @@ -2202,35 +2603,35 @@ "nomad.datamodel.results.Results" ], "entry_timestamp": { - "token_seed": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "token": 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"cookie": null } }, @@ -2595,7 +2955,7 @@ }, "name": "form", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "crystalline solid", "powder" @@ -2729,7 +3089,7 @@ }, "name": "tags", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "internal", "collaboration", @@ -2774,7 +3134,7 @@ }, "name": "substrate_type", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "Fused quartz glass", "SLG", @@ -2898,13 +3258,15 @@ "data": { "x": "#time", "y": "#chamber_pressure" - } + }, + "open": false }, { "data": { "x": "#time", "y": "#substrate_temperature" - } + }, + "open": true } ] }, @@ -3091,14 +3453,15 @@ }, "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T21:11:44.447000+00:00", + "upload_create_time": "2024-09-10T10:03:32.290000+00:00", "entry_id": "83DS7AzwqTKFVwlrdVeaL3kMSLU_", "entry_name": "Electronic Lab Notebook example schema", "entry_type": "Schema", - "entry_hash": 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"nomad.metainfo.metainfo.Quantity", - "definition_id": "d12b9e6f4aed521dc6feeb67239a929542f78b8d", + "definition_id": "236a4bf2422c0d73c000b6fe154aaec5a24889fa", "used_directly": true }, { "definition_qualified_name": "nomad.metainfo.metainfo.Section", - "definition_id": "f293173ca54be29603fb12b9b138f8a76130a25c", + "definition_id": "fba10d5ea6b4aea7883dba8cc3888d8f931e9545", "used_directly": true }, { "definition_qualified_name": "nomad.metainfo.metainfo.SubSection", - "definition_id": "19bf6b5bf2ffa69e6585a1fb1c6b0961d4a89738", + "definition_id": "43417b7bdc4f9f58fffea6273f9bc1cb78d53052", "used_directly": true } ] @@ -3288,9 +3655,8 @@ } }, "headers": { - "cache-control": "max-age=0, no-cache, no-store, must-revalidate", "connection": "close", - "content-length": "36345", + "content-length": "29857", "content-type": "application/json", "server": "uvicorn" } @@ -3305,15 +3671,14 @@ "body": "", "headers": { "accept": "application/json", - "authorization": "Bearer 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"cookie": null } }, "response": { "status": 200, - "body": "# Schemas can be defined as yaml files like this. The archive.yaml format will be\n# interpreted by nomad as a nomad archive. Therefore, all definitions have to be\n# put in a top-level section called \"definitions\"\ndefinitions:\n # The \"definitions\" section is interpreted as a nomad schema package\n # Schema packages can have a name:\n name: 'Electronic Lab Notebook example schema'\n # Schema packages contain section definitions. This is where the interesting schema\n # information begins.\n sections:\n # Here we define a section called \"Chemical\":\n Chemical:\n # Section definition can have base_sections. Base sections are other schema\n # definition and all properties of these will be inherited.\n base_sections:\n - 'nomad.datamodel.metainfo.eln.Chemical' # Provides typical quantities like name, descriptions, chemical_formula and makes those available for search\n - 'nomad.datamodel.data.EntryData' # Declares this as a top-level entry section. This determines the types of entries you can create. With this we will be able to create a \"Chemical\" entry.\n # All definitions, sections, sub_sections, quantities, can provide a description.\n description: |\n This is an example description for Chemical.\n A description can contain **markdown** markup and TeX formulas, like $\\sum\\limits_{i=0}^{n}$.\n # Sections define quantities. Quantities allow to manage actual data. Quantities\n # can have various types, shapes, and units.\n quantities:\n # Here we define a quantity called \"from\"\n form:\n # This defines a Enum type with pre-defined possible values.\n type:\n type_kind: Enum\n type_data:\n - crystalline solid\n - powder\n # Annotations allow to provide additional information that is beyond just defining\n # the possible data.\n m_annotations:\n # The eln annotation allows add the quantity to a ELN\n eln:\n component: EnumEditQuantity # A form field component for EnumQuantities that uses a pull down menu.\n cas_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n ec_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n Instrument:\n base_sections:\n - nomad.datamodel.metainfo.eln.Instrument\n - nomad.datamodel.data.EntryData\n Process:\n base_section: nomad.datamodel.metainfo.eln.Process\n quantities:\n instrument:\n type: '#/Instrument'\n m_annotations:\n eln:\n component: ReferenceEditQuantity\n Sample:\n m_annotations:\n # The template annotation allows to define what freshly created entries (instances of this schema) will look like.\n # In this example we create a sample with an empty pvd_evaporation process.\n template:\n processes:\n pvd_evaporation: {}\n eln:\n base_sections:\n - 'nomad.datamodel.metainfo.basesections.CompositeSystem'\n - 'nomad.datamodel.data.EntryData'\n quantities:\n name:\n type: str # The simple string type\n default: Default Sample Name\n m_annotations:\n eln:\n component: StringEditQuantity # A simple text edit form field\n tags:\n type:\n type_kind: Enum\n type_data:\n - internal\n - collaboration\n - project\n - other\n shape: ['*'] # Shapes define non scalar values, like lists ['*'], vectors ['*', 3], etc.\n m_annotations:\n eln:\n component: AutocompleteEditQuantity # Allows to edit enums with an auto complete text form field\n chemicals:\n type: '#/Chemical' # Types can also be other sections. This allows to reference a different section.\n shape: ['*']\n m_annotations:\n eln:\n component: ReferenceEditQuantity # A editor component that allows to select from available \"Chemical\"s\n substrate_type:\n type:\n type_kind: Enum\n type_data:\n - Fused quartz glass\n - SLG\n - other\n m_annotations:\n eln:\n component: RadioEnumEditQuantity\n substrate_thickness:\n type: np.float64\n unit: m\n m_annotations:\n eln:\n component: NumberEditQuantity\n sample_is_from_collaboration:\n type: bool\n m_annotations:\n eln:\n component: BoolEditQuantity\n # Besides quantities, a section can define sub_sections. This allows hierarchies\n # of information.\n sub_sections:\n # Here we define a sub_section of \"Sample\" called \"processes\"\n processes:\n section:\n # The sub-section's section, is itself a section definition\n m_annotations:\n eln: # adds the sub-section to the eln and allows users to create new instances of this sub-section\n # We can also nest sub_sections. It goes aribitrarely deep.\n sub_sections:\n pvd_evaporation:\n section:\n base_sections: ['Process', 'nomad.parsing.tabular.TableData', 'nomad.datamodel.metainfo.plot.PlotSection']\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description', 'method']\n # Plots are shown in the eln. Currently we only support simple x,y\n # line plots\n plotly_graph_object:\n - data:\n - x: \"#time\"\n y: \"#chamber_pressure\"\n - x: \"#time\"\n y: \"#substrate_temperature\"\n yaxis: y2\n layout:\n title:\n text: Pressure and Temperature over Time\n yaxis2:\n overlaying: y\n side: right\n - data:\n x: \"#time\"\n y: \"#chamber_pressure\"\n - data:\n x: \"#time\"\n y: \"#substrate_temperature\"\n quantities:\n data_file:\n type: str\n description: |\n A reference to an uploaded .csv produced by the PVD evaporation instruments\n control software.\n m_annotations:\n # The tabular_parser annotation, will treat the values of this\n # quantity as files. It will try to interpret the files and fill\n # quantities in this section (and sub_section) with the column\n # data of .csv or .xlsx files. There is also a mode option that by default, is set to column.\n tabular_parser:\n parsing_options:\n comment: '#'\n sep: '\\t'\n mapping_options:\n - mapping_mode: column\n file_mode: current_entry\n sections:\n - '#root'\n browser:\n adaptor: RawFileAdaptor # Allows to navigate to files in the data browser\n eln:\n component: FileEditQuantity # A form field that allows to drop and select files.\n time:\n type: np.float64\n shape: ['*']\n unit: s\n m_annotations:\n # The tabular annotation defines a mapping to column headers used in\n # tabular data files\n tabular:\n name: Process Time in seconds\n chamber_pressure:\n type: np.float64\n shape: ['*']\n unit: mbar\n m_annotations:\n eln:\n # component: NumberEditQuantity\n # defaultDisplayUnit: mbar ## MUST NOT BE AN ARRAY FOR THIS https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/932\n tabular:\n name: Vacuum Pressure1\n substrate_temperature:\n type: np.float64\n shape: ['*']\n unit: kelvin\n m_annotations:\n tabular:\n name: Substrate PV\n unit: degC\n hotplate_annealing:\n section:\n base_section: Process\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description']\n quantities:\n set_temperature:\n type: np.float64 # For actual numbers, we use numpy datatypes\n unit: K # The unit system is based on Pint and allows all kinds of abreviations, prefixes, and complex units\n m_annotations:\n eln:\n component: NumberEditQuantity # A component to enter numbers (with units)\n duration:\n type: np.float64\n unit: s\n m_annotations:\n eln:\n component: NumberEditQuantity\n\n", + "body": "# Schemas can be defined as yaml files like this. The archive.yaml format will be\n# interpreted by nomad as a nomad archive. Therefore, all definitions have to be\n# put in a top-level section called \"definitions\"\ndefinitions:\n # The \"definitions\" section is interpreted as a nomad schema package\n # Schema packages can have a name:\n name: 'Electronic Lab Notebook example schema'\n # Schema packages contain section definitions. This is where the interesting schema\n # information begins.\n sections:\n # Here we define a section called \"Chemical\":\n Chemical:\n # Section definition can have base_sections. Base sections are other schema\n # definition and all properties of these will be inherited.\n base_sections:\n - 'nomad.datamodel.metainfo.eln.Chemical' # Provides typical quantities like name, descriptions, chemical_formula and makes those available for search\n - 'nomad.datamodel.data.EntryData' # Declares this as a top-level entry section. This determines the types of entries you can create. With this we will be able to create a \"Chemical\" entry.\n # All definitions, sections, sub_sections, quantities, can provide a description.\n description: |\n This is an example description for Chemical.\n A description can contain **markdown** markup and TeX formulas, like $\\sum\\limits_{i=0}^{n}$.\n # Sections define quantities. Quantities allow to manage actual data. Quantities\n # can have various types, shapes, and units.\n quantities:\n # Here we define a quantity called \"from\"\n form:\n # This defines a Enum type with pre-defined possible values.\n type:\n type_kind: Enum\n type_data:\n - crystalline solid\n - powder\n # Annotations allow to provide additional information that is beyond just defining\n # the possible data.\n m_annotations:\n # The eln annotation allows add the quantity to a ELN\n eln:\n component: EnumEditQuantity # A form field component for EnumQuantities that uses a pull down menu.\n cas_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n ec_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n Instrument:\n base_sections:\n - nomad.datamodel.metainfo.eln.Instrument\n - nomad.datamodel.data.EntryData\n Process:\n base_section: nomad.datamodel.metainfo.eln.Process\n quantities:\n instrument:\n type: '#/Instrument'\n m_annotations:\n eln:\n component: ReferenceEditQuantity\n Sample:\n m_annotations:\n # The template annotation allows to define what freshly created entries (instances of this schema) will look like.\n # In this example we create a sample with an empty pvd_evaporation process.\n template:\n processes:\n pvd_evaporation: {}\n eln:\n base_sections:\n - 'nomad.datamodel.metainfo.basesections.CompositeSystem'\n - 'nomad.datamodel.data.EntryData'\n quantities:\n name:\n type: str # The simple string type\n default: Default Sample Name\n m_annotations:\n eln:\n component: StringEditQuantity # A simple text edit form field\n tags:\n type:\n type_kind: Enum\n type_data:\n - internal\n - collaboration\n - project\n - other\n shape: ['*'] # Shapes define non scalar values, like lists ['*'], vectors ['*', 3], etc.\n m_annotations:\n eln:\n component: AutocompleteEditQuantity # Allows to edit enums with an auto complete text form field\n chemicals:\n type: '#/Chemical' # Types can also be other sections. This allows to reference a different section.\n shape: ['*']\n m_annotations:\n eln:\n component: ReferenceEditQuantity # A editor component that allows to select from available \"Chemical\"s\n substrate_type:\n type:\n type_kind: Enum\n type_data:\n - Fused quartz glass\n - SLG\n - other\n m_annotations:\n eln:\n component: RadioEnumEditQuantity\n substrate_thickness:\n type: np.float64\n unit: m\n m_annotations:\n eln:\n component: NumberEditQuantity\n sample_is_from_collaboration:\n type: bool\n m_annotations:\n eln:\n component: BoolEditQuantity\n # Besides quantities, a section can define sub_sections. This allows hierarchies\n # of information.\n sub_sections:\n # Here we define a sub_section of \"Sample\" called \"processes\"\n processes:\n section:\n # The sub-section's section, is itself a section definition\n m_annotations:\n eln: # adds the sub-section to the eln and allows users to create new instances of this sub-section\n # We can also nest sub_sections. It goes aribitrarely deep.\n sub_sections:\n pvd_evaporation:\n section:\n base_sections: ['Process', 'nomad.parsing.tabular.TableData', 'nomad.datamodel.metainfo.plot.PlotSection']\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description', 'method']\n # Plots are shown in the eln. Currently we only support simple x,y\n # line plots\n plotly_graph_object:\n - data:\n - x: \"#time\"\n y: \"#chamber_pressure\"\n - x: \"#time\"\n y: \"#substrate_temperature\"\n yaxis: y2\n layout:\n title:\n text: Pressure and Temperature over Time\n yaxis2:\n overlaying: y\n side: right\n - data:\n x: \"#time\"\n y: \"#chamber_pressure\"\n open: false\n - data:\n x: \"#time\"\n y: \"#substrate_temperature\"\n open: true\n quantities:\n data_file:\n type: str\n description: |\n A reference to an uploaded .csv produced by the PVD evaporation instruments\n control software.\n m_annotations:\n # The tabular_parser annotation, will treat the values of this\n # quantity as files. It will try to interpret the files and fill\n # quantities in this section (and sub_section) with the column\n # data of .csv or .xlsx files. There is also a mode option that by default, is set to column.\n tabular_parser:\n parsing_options:\n comment: '#'\n sep: '\\t'\n mapping_options:\n - mapping_mode: column\n file_mode: current_entry\n sections:\n - '#root'\n browser:\n adaptor: RawFileAdaptor # Allows to navigate to files in the data browser\n eln:\n component: FileEditQuantity # A form field that allows to drop and select files.\n time:\n type: np.float64\n shape: ['*']\n unit: s\n m_annotations:\n # The tabular annotation defines a mapping to column headers used in\n # tabular data files\n tabular:\n name: Process Time in seconds\n chamber_pressure:\n type: np.float64\n shape: ['*']\n unit: mbar\n m_annotations:\n eln:\n # component: NumberEditQuantity\n # defaultDisplayUnit: mbar ## MUST NOT BE AN ARRAY FOR THIS https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/932\n tabular:\n name: Vacuum Pressure1\n substrate_temperature:\n type: np.float64\n shape: ['*']\n unit: kelvin\n m_annotations:\n tabular:\n name: Substrate PV\n unit: degC\n hotplate_annealing:\n section:\n base_section: Process\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description']\n quantities:\n set_temperature:\n type: np.float64 # For actual numbers, we use numpy datatypes\n unit: K # The unit system is based on Pint and allows all kinds of abreviations, prefixes, and complex units\n m_annotations:\n eln:\n component: NumberEditQuantity # A component to enter numbers (with units)\n duration:\n type: np.float64\n unit: s\n m_annotations:\n eln:\n component: NumberEditQuantity\n\n", "headers": { - "cache-control": "max-age=0, no-cache, no-store, must-revalidate", "connection": "close", "content-disposition": "attachment; filename=\"schema.archive.yaml\"", "content-type": "application/octet-stream", diff --git a/gui/tests/data/entry/eln-reviewer.json b/gui/tests/data/entry/eln-reviewer.json index 8f796549d749135a95c510217a78837bb486185d..ce2b31281492a90397397fb6d432ea4a2a70a219 100644 --- a/gui/tests/data/entry/eln-reviewer.json +++ b/gui/tests/data/entry/eln-reviewer.json @@ -7,7 +7,7 @@ "body": "", "headers": { "accept": "application/json", - "authorization": "Bearer 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"cookie": null } }, @@ -20,6 +20,14 @@ "upload_id": "eln_upload_id", "references": [], "origin": "Markus Scheidgen", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "quantities": [ "", "data", @@ -38,12 +46,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -71,6 +81,7 @@ "metadata.published", "metadata.quantities", "metadata.references", + "metadata.reviewer_groups", "metadata.reviewers", "metadata.section_defs", "metadata.section_defs.definition_id", @@ -88,37 +99,38 @@ "results.eln.names", "results.eln.sections", "results.eln.tags", - "results.properties" + "results.properties", + "workflow2" ], "datasets": [], - "n_quantities": 65, - "nomad_version": "1.2.2.dev85+g6f47bb0a0", - "upload_create_time": "2023-10-20T18:46:00.113000+00:00", + "n_quantities": 70, + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", + "upload_create_time": "2024-09-10T10:05:35.241000+00:00", "nomad_commit": "", "section_defs": [ { "used_directly": true, - "definition_id": "7e0331d2df29682413535f00d4aad156783fee2e", + "definition_id": "281b3f02794414b4575aac4f6d804f6c00dd6eae", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Process" }, { "used_directly": true, - "definition_id": "030133d881170f0d9e31da6086ed5641f0c4403c", + "definition_id": "2c129e4f4108268e93bea200fc6ac38b0739670f", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" }, { "used_directly": true, - "definition_id": "f0086b987424b1001666c6f5df9ad1071164a27e", + "definition_id": "9c0ed706ce93a0e481afb71d216a634cc2712910", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes" }, { "used_directly": true, - "definition_id": "d39f4397900226398e6c17eb00467e874e5955c4", + "definition_id": "ef88c405666ed9ac5dd9d3325dce9c188659c5b6", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.HotplateAnnealing" }, { "used_directly": true, - "definition_id": "c640c9585e8d4549f248582763427a7dd7c417a0", + "definition_id": "591247c992edd218a157c9496992ccc1038c6af0", "definition_qualified_name": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.PvdEvaporation" }, { @@ -133,62 +145,62 @@ }, { "used_directly": true, - "definition_id": "1a38309e86abd87e7ef9ff7aa89560cf22ab111e", + "definition_id": "2e0f324d74f623f63c048985d91a97ad6cac2fa5", "definition_qualified_name": "nomad.datamodel.datamodel.EntryArchive" }, { "used_directly": true, - "definition_id": "f0581d7d21c72a241c4a770488125b5ddcf539d8", + "definition_id": "6edfa503af63b84d6a6021c227d00137b4c1cc9c", "definition_qualified_name": "nomad.datamodel.datamodel.EntryMetadata" }, { "used_directly": true, - "definition_id": "265ae33dbc9ace82b50260c1050d30c59ef9cb3c", + "definition_id": "1e3e9dd7b802b04343f46305a7d0f58663d8110a", "definition_qualified_name": "nomad.datamodel.datamodel.RFC3161Timestamp" }, { "used_directly": false, - "definition_id": "fc2735d177bf36f9718ca66a764a56fc0c6200a0", + "definition_id": "bd0abbd05794fb9a22acf98127f53b6c621a2649", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Activity" }, { "used_directly": false, - "definition_id": "add2edfa25a61ff3bbfdebacc870181f64f41634", + "definition_id": "106bafb5140238b4afe8128b8c341b5b3e927838", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.BaseSection" }, { "used_directly": true, - "definition_id": "c7254c9b461a4baec86cb3179e2f84513f5c9053", + "definition_id": "30fb4784b72778a7bb89b81f5aa1eb25312b2ae4", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.CompositeSystem" }, { "used_directly": false, - "definition_id": "7ce6bdcaa183a9685582b275e1c2b2ea3139c74d", + "definition_id": "8d478d6cfa9d129aeafe2e6f77d6fe3da6c000a0", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Entity" }, { "used_directly": false, - "definition_id": "8d81e1f95c60f39a6a8c9f954143a55e6f4c984c", + "definition_id": "937d37a2a0a3bdd1ee31d1e4c919497c018dfb44", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.Process" }, { "used_directly": false, - "definition_id": "3ab3a09d615ab58aefbaa3acdd8d6af4e73aaae5", + "definition_id": "f503f05cfcac001f55d56db641463a38a301f4a5", "definition_qualified_name": "nomad.datamodel.metainfo.basesections.System" }, { "used_directly": true, - "definition_id": "55ef08f33dcf9fb374aea217458bd34a23bec57b", + "definition_id": "bf82c8c5105b42f9390e7100b6206f55ecd75128", "definition_qualified_name": "nomad.datamodel.metainfo.plot.Figure" }, { "used_directly": true, - "definition_id": "7bb17e35ed91dca88bf6238fc51ed212693593d0", + "definition_id": "87acfd85bf428b623941380459a7867915a1e2ef", "definition_qualified_name": "nomad.datamodel.metainfo.plot.PlotSection" }, { "used_directly": true, - "definition_id": "491cdc3c5ea21cdc576275a5c1e600cdaa4256c1", + "definition_id": "c2b92af9ee552c12ea402015d72cc227c5a5005e", "definition_qualified_name": "nomad.datamodel.metainfo.plot.PlotlyFigure" }, { @@ -198,12 +210,12 @@ }, { "used_directly": true, - "definition_id": "43288046582240d7a33ec8b5fe4ca86988c2378c", + "definition_id": "3d0188853e1806435f95f9a876b83ed98ad38713", "definition_qualified_name": "nomad.datamodel.results.Properties" }, { "used_directly": true, - "definition_id": "ba0a320c9aa599c7c4a0af8c545f3cfe76cc4e70", + "definition_id": "1caea35fada02e0b6861ceec2dd928595fc824db", "definition_qualified_name": "nomad.datamodel.results.Results" }, { @@ -242,70 +254,8 @@ } }, "entry_name": "ELN example sample", - "last_processing_time": "2023-10-20T18:46:00.489000+00:00", + "last_processing_time": "2024-09-10T10:05:35.493000+00:00", "parser_name": "parsers/archive", - "searchable_quantities": [ - { - "text_value": "ELN example sample", - "path": "data.name", - "quantity_name": "name", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3" - }, - { - "text_value": "001", - "path": "data.lab_id", - "quantity_name": "lab_id", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - }, - { - "text_value": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", - "path": "data.description", - "quantity_name": "description", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - }, - { - "path": "data.substrate_type", - "quantity_name": "substrate_type", - "section_definition": 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"../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3/inner_section_definitions/0/inner_section_definitions/1", - "double_value": 373.15 - }, - { - "path": "data.processes.hotplate_annealing.duration", - "quantity_name": "duration", - "section_definition": "../uploads/eln_upload_id/archive/83DS7AzwqTKFVwlrdVeaL3kMSLU_#/definitions/section_definitions/3/inner_section_definitions/0/inner_section_definitions/1", - "double_value": 60 - }, - { - "path": "data.datetime", - "date_value": "2023-10-20T20:46:00.543744+00:00", - "quantity_name": "datetime", - "section_definition": "nomad.datamodel.metainfo.basesections.BaseSection" - } - ], "calc_id": "bC7byHvWJp62Sn9uiuJUB38MT5j-", "published": false, "writers": [ @@ -318,6 +268,7 @@ "name": "Sheldon Cooper" } ], + "writer_groups": [], "sections": [ "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample", "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes", @@ -351,8 +302,89 @@ "name": "Test Tester" } ], - "entry_create_time": "2023-10-20T18:46:00.171000+00:00", + "viewer_groups": [], + "entry_create_time": "2024-09-10T10:05:35.317000+00:00", "with_embargo": false, + "search_quantities": [ + { + "path_archive": "data.name", + "str_value": "ELN example sample", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.name", + "id": "data.name#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.lab_id", + "str_value": "001", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.lab_id", + "id": "data.lab_id#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.description", + "str_value": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.description", + "id": "data.description#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.substrate_type", + "str_value": "SLG", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.substrate_type", + "id": "data.substrate_type#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.datetime", + "datetime_value": "2022-05-10T07:20:00+00:00", + "definition": "nomad.datamodel.metainfo.basesections.Activity.datetime", + "id": "data.processes.pvd_evaporation.datetime#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.data_file", + "str_value": "PVDProcess.csv", + "definition": "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample.Processes.PvdEvaporation.data_file", + "id": "data.processes.pvd_evaporation.data_file#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.figures.1.open", + "bool_value": false, + "definition": "nomad.datamodel.metainfo.plot.Figure.open", + "id": "data.processes.pvd_evaporation.figures.open#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.figures.2.open", + "bool_value": true, + "definition": "nomad.datamodel.metainfo.plot.Figure.open", + "id": "data.processes.pvd_evaporation.figures.open#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + }, + { + "path_archive": "data.processes.pvd_evaporation.fill_archive_from_datafile", + "bool_value": false, + "definition": "nomad.parsing.tabular.TableData.fill_archive_from_datafile", + "id": "data.processes.pvd_evaporation.fill_archive_from_datafile#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + 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"2024-09-10T12:05:35.555591+00:00", + "definition": "nomad.datamodel.metainfo.basesections.BaseSection.datetime", + "id": "data.datetime#entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample" + } + ], "files": [ "sample.archive.json", "PVDProcess.csv", @@ -370,13 +402,40 @@ "name": "Sheldon Cooper" } ], - "license": "CC BY 4.0" + "license": "CC BY 4.0", + "data": { + "name": "ELN example sample", + "lab_id": "001", + "description": "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).</p>\n<p> </p>", + "substrate_type": "SLG", + "processes": { + 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"cookie": null } }, @@ -882,6 +1107,16 @@ "electronic": { "greens_functions_electronic": "include-resolved", "dos_electronic": "include-resolved", + "dos_electronic_new": { + "data": { + "energies": "include-resolved", + "total": "include-resolved", + "energy_fermi": "*", + "energy_ref": "*", + "spin_channel": "*", + "band_gap": "include-resolved" + } + }, "band_structure_electronic": "include-resolved", "band_gap": "*" }, @@ -904,14 +1139,22 @@ "archive": { "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T18:46:00.113000+00:00", + "upload_create_time": "2024-09-10T10:05:35.241000+00:00", "entry_id": "bC7byHvWJp62Sn9uiuJUB38MT5j-", "entry_name": "ELN example sample", "entry_type": "Sample", - "entry_hash": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "entry_create_time": "2023-10-20T18:46:00.171000+00:00", + "entry_hash": "QX2rtraaG5Zz5wAoB2HbSyvYpMnK", + "entry_create_time": "2024-09-10T10:05:35.317000+00:00", "parser_name": "parsers/archive", "mainfile": "sample.archive.json", + "text_search_contents": [ + "PVDProcess.csv", + "<p>A simple example for an \"sample\" that demonstrates how to combine different data entities.</p>\n<p>The sample it-self defines a few properties (involved chemicals, used substrate) and uses inherited default properties (formula, name, lab id, ...)</p>\n<p>But the sample also contains sub-sections that prodivde inforamtion about proccessed that were applied to this sample (PVD evaporation, hotplate annealing). </p>\n<p>The sample also show references to other entries (chemicals, instruments).", + "ELN example sample", + "project", + "SLG", + "001" + ], "files": [ "sample.archive.json", "PVDProcess.csv", @@ -922,21 +1165,23 @@ "embargo_length": 0, "license": "CC BY 4.0", "processed": true, - "last_processing_time": "2023-10-20T18:46:00.489800+00:00", + "last_processing_time": "2024-09-10T10:05:35.493459+00:00", "processing_errors": [], - "nomad_version": "1.2.2.dev85+g6f47bb0a0", + "nomad_version": "1.3.7.dev51+g5fce90af3.d20240909", "nomad_commit": "", "references": [], "main_author": "68878af7-6845-46c0-b2c1-250d4d8eb470", "coauthors": [ "a03af8b6-3aa7-428a-b3b1-4a6317e576b6" ], + "coauthor_groups": [], "entry_coauthors": [], "reviewers": [ "54cb1f64-f84e-4815-9ade-440ce0b5430f" ], + "reviewer_groups": [], "datasets": [], - "n_quantities": 65, + "n_quantities": 70, "quantities": [ "", "data", @@ -955,12 +1200,14 @@ "data.processes.pvd_evaporation.datetime", "data.processes.pvd_evaporation.figures", "data.processes.pvd_evaporation.figures.figure", + "data.processes.pvd_evaporation.figures.open", "data.processes.pvd_evaporation.fill_archive_from_datafile", "data.processes.pvd_evaporation.substrate_temperature", "data.processes.pvd_evaporation.time", "data.substrate_type", "data.tags", "metadata", + "metadata.coauthor_groups", "metadata.coauthors", "metadata.datasets", "metadata.embargo_length", @@ -988,6 +1235,7 @@ "metadata.published", "metadata.quantities", "metadata.references", + "metadata.reviewer_groups", "metadata.reviewers", "metadata.section_defs", "metadata.section_defs.definition_id", @@ -1005,7 +1253,8 @@ "results.eln.names", "results.eln.sections", "results.eln.tags", - "results.properties" + "results.properties", + "workflow2" ], "sections": [ "entry_id:83DS7AzwqTKFVwlrdVeaL3kMSLU_.Sample", @@ -1021,35 +1270,35 @@ "nomad.datamodel.results.Results" ], "entry_timestamp": { - "token_seed": "y0C2H_I6f9gmZ_S6RNlk_v9P_Clg", - "token": 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annealing). </p>\\n<p>The sample also show references to other entries (chemicals, instruments).</p>\\n<p> </p>\"\n }\n}\n", "headers": { - "cache-control": "max-age=0, no-cache, no-store, must-revalidate", "connection": "close", "content-disposition": "attachment; filename=\"sample.archive.json\"", "content-type": "application/octet-stream", @@ -1470,7 +1738,7 @@ "headers": { "accept": "application/json", "content-type": "application/json", - "authorization": "Bearer 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"cookie": null } }, @@ -1517,7 +1785,7 @@ }, "name": "form", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "crystalline solid", "powder" @@ -1651,7 +1919,7 @@ }, "name": "tags", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "internal", "collaboration", @@ -1696,7 +1964,7 @@ }, "name": "substrate_type", "type": { - "type_kind": "Enum", + "type_kind": "enum", "type_data": [ "Fused quartz glass", "SLG", @@ -1820,13 +2088,15 @@ "data": { "x": "#time", "y": "#chamber_pressure" - } + }, + "open": false }, { "data": { "x": "#time", "y": "#substrate_temperature" - } + }, + "open": true } ] }, @@ -2013,14 +2283,15 @@ }, "metadata": { "upload_id": "eln_upload_id", - "upload_create_time": "2023-10-20T18:46:00.113000+00:00", + "upload_create_time": "2024-09-10T10:05:35.241000+00:00", "entry_id": "83DS7AzwqTKFVwlrdVeaL3kMSLU_", "entry_name": "Electronic Lab Notebook example schema", "entry_type": "Schema", - "entry_hash": 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"cookie": null } }, "response": { "status": 200, - "body": "# Schemas can be defined as yaml files like this. The archive.yaml format will be\n# interpreted by nomad as a nomad archive. Therefore, all definitions have to be\n# put in a top-level section called \"definitions\"\ndefinitions:\n # The \"definitions\" section is interpreted as a nomad schema package\n # Schema packages can have a name:\n name: 'Electronic Lab Notebook example schema'\n # Schema packages contain section definitions. This is where the interesting schema\n # information begins.\n sections:\n # Here we define a section called \"Chemical\":\n Chemical:\n # Section definition can have base_sections. Base sections are other schema\n # definition and all properties of these will be inherited.\n base_sections:\n - 'nomad.datamodel.metainfo.eln.Chemical' # Provides typical quantities like name, descriptions, chemical_formula and makes those available for search\n - 'nomad.datamodel.data.EntryData' # Declares this as a top-level entry section. This determines the types of entries you can create. With this we will be able to create a \"Chemical\" entry.\n # All definitions, sections, sub_sections, quantities, can provide a description.\n description: |\n This is an example description for Chemical.\n A description can contain **markdown** markup and TeX formulas, like $\\sum\\limits_{i=0}^{n}$.\n # Sections define quantities. Quantities allow to manage actual data. Quantities\n # can have various types, shapes, and units.\n quantities:\n # Here we define a quantity called \"from\"\n form:\n # This defines a Enum type with pre-defined possible values.\n type:\n type_kind: Enum\n type_data:\n - crystalline solid\n - powder\n # Annotations allow to provide additional information that is beyond just defining\n # the possible data.\n m_annotations:\n # The eln annotation allows add the quantity to a ELN\n eln:\n component: EnumEditQuantity # A form field component for EnumQuantities that uses a pull down menu.\n cas_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n ec_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n Instrument:\n base_sections:\n - nomad.datamodel.metainfo.eln.Instrument\n - nomad.datamodel.data.EntryData\n Process:\n base_section: nomad.datamodel.metainfo.eln.Process\n quantities:\n instrument:\n type: '#/Instrument'\n m_annotations:\n eln:\n component: ReferenceEditQuantity\n Sample:\n m_annotations:\n # The template annotation allows to define what freshly created entries (instances of this schema) will look like.\n # In this example we create a sample with an empty pvd_evaporation process.\n template:\n processes:\n pvd_evaporation: {}\n eln:\n base_sections:\n - 'nomad.datamodel.metainfo.basesections.CompositeSystem'\n - 'nomad.datamodel.data.EntryData'\n quantities:\n name:\n type: str # The simple string type\n default: Default Sample Name\n m_annotations:\n eln:\n component: StringEditQuantity # A simple text edit form field\n tags:\n type:\n type_kind: Enum\n type_data:\n - internal\n - collaboration\n - project\n - other\n shape: ['*'] # Shapes define non scalar values, like lists ['*'], vectors ['*', 3], etc.\n m_annotations:\n eln:\n component: AutocompleteEditQuantity # Allows to edit enums with an auto complete text form field\n chemicals:\n type: '#/Chemical' # Types can also be other sections. This allows to reference a different section.\n shape: ['*']\n m_annotations:\n eln:\n component: ReferenceEditQuantity # A editor component that allows to select from available \"Chemical\"s\n substrate_type:\n type:\n type_kind: Enum\n type_data:\n - Fused quartz glass\n - SLG\n - other\n m_annotations:\n eln:\n component: RadioEnumEditQuantity\n substrate_thickness:\n type: np.float64\n unit: m\n m_annotations:\n eln:\n component: NumberEditQuantity\n sample_is_from_collaboration:\n type: bool\n m_annotations:\n eln:\n component: BoolEditQuantity\n # Besides quantities, a section can define sub_sections. This allows hierarchies\n # of information.\n sub_sections:\n # Here we define a sub_section of \"Sample\" called \"processes\"\n processes:\n section:\n # The sub-section's section, is itself a section definition\n m_annotations:\n eln: # adds the sub-section to the eln and allows users to create new instances of this sub-section\n # We can also nest sub_sections. It goes aribitrarely deep.\n sub_sections:\n pvd_evaporation:\n section:\n base_sections: ['Process', 'nomad.parsing.tabular.TableData', 'nomad.datamodel.metainfo.plot.PlotSection']\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description', 'method']\n # Plots are shown in the eln. Currently we only support simple x,y\n # line plots\n plotly_graph_object:\n - data:\n - x: \"#time\"\n y: \"#chamber_pressure\"\n - x: \"#time\"\n y: \"#substrate_temperature\"\n yaxis: y2\n layout:\n title:\n text: Pressure and Temperature over Time\n yaxis2:\n overlaying: y\n side: right\n - data:\n x: \"#time\"\n y: \"#chamber_pressure\"\n - data:\n x: \"#time\"\n y: \"#substrate_temperature\"\n quantities:\n data_file:\n type: str\n description: |\n A reference to an uploaded .csv produced by the PVD evaporation instruments\n control software.\n m_annotations:\n # The tabular_parser annotation, will treat the values of this\n # quantity as files. It will try to interpret the files and fill\n # quantities in this section (and sub_section) with the column\n # data of .csv or .xlsx files. There is also a mode option that by default, is set to column.\n tabular_parser:\n parsing_options:\n comment: '#'\n sep: '\\t'\n mapping_options:\n - mapping_mode: column\n file_mode: current_entry\n sections:\n - '#root'\n browser:\n adaptor: RawFileAdaptor # Allows to navigate to files in the data browser\n eln:\n component: FileEditQuantity # A form field that allows to drop and select files.\n time:\n type: np.float64\n shape: ['*']\n unit: s\n m_annotations:\n # The tabular annotation defines a mapping to column headers used in\n # tabular data files\n tabular:\n name: Process Time in seconds\n chamber_pressure:\n type: np.float64\n shape: ['*']\n unit: mbar\n m_annotations:\n eln:\n # component: NumberEditQuantity\n # defaultDisplayUnit: mbar ## MUST NOT BE AN ARRAY FOR THIS https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/932\n tabular:\n name: Vacuum Pressure1\n substrate_temperature:\n type: np.float64\n shape: ['*']\n unit: kelvin\n m_annotations:\n tabular:\n name: Substrate PV\n unit: degC\n hotplate_annealing:\n section:\n base_section: Process\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description']\n quantities:\n set_temperature:\n type: np.float64 # For actual numbers, we use numpy datatypes\n unit: K # The unit system is based on Pint and allows all kinds of abreviations, prefixes, and complex units\n m_annotations:\n eln:\n component: NumberEditQuantity # A component to enter numbers (with units)\n duration:\n type: np.float64\n unit: s\n m_annotations:\n eln:\n component: NumberEditQuantity\n\n", + "body": "# Schemas can be defined as yaml files like this. The archive.yaml format will be\n# interpreted by nomad as a nomad archive. Therefore, all definitions have to be\n# put in a top-level section called \"definitions\"\ndefinitions:\n # The \"definitions\" section is interpreted as a nomad schema package\n # Schema packages can have a name:\n name: 'Electronic Lab Notebook example schema'\n # Schema packages contain section definitions. This is where the interesting schema\n # information begins.\n sections:\n # Here we define a section called \"Chemical\":\n Chemical:\n # Section definition can have base_sections. Base sections are other schema\n # definition and all properties of these will be inherited.\n base_sections:\n - 'nomad.datamodel.metainfo.eln.Chemical' # Provides typical quantities like name, descriptions, chemical_formula and makes those available for search\n - 'nomad.datamodel.data.EntryData' # Declares this as a top-level entry section. This determines the types of entries you can create. With this we will be able to create a \"Chemical\" entry.\n # All definitions, sections, sub_sections, quantities, can provide a description.\n description: |\n This is an example description for Chemical.\n A description can contain **markdown** markup and TeX formulas, like $\\sum\\limits_{i=0}^{n}$.\n # Sections define quantities. Quantities allow to manage actual data. Quantities\n # can have various types, shapes, and units.\n quantities:\n # Here we define a quantity called \"from\"\n form:\n # This defines a Enum type with pre-defined possible values.\n type:\n type_kind: Enum\n type_data:\n - crystalline solid\n - powder\n # Annotations allow to provide additional information that is beyond just defining\n # the possible data.\n m_annotations:\n # The eln annotation allows add the quantity to a ELN\n eln:\n component: EnumEditQuantity # A form field component for EnumQuantities that uses a pull down menu.\n cas_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n ec_number:\n type: str\n m_annotations:\n eln:\n component: StringEditQuantity\n Instrument:\n base_sections:\n - nomad.datamodel.metainfo.eln.Instrument\n - nomad.datamodel.data.EntryData\n Process:\n base_section: nomad.datamodel.metainfo.eln.Process\n quantities:\n instrument:\n type: '#/Instrument'\n m_annotations:\n eln:\n component: ReferenceEditQuantity\n Sample:\n m_annotations:\n # The template annotation allows to define what freshly created entries (instances of this schema) will look like.\n # In this example we create a sample with an empty pvd_evaporation process.\n template:\n processes:\n pvd_evaporation: {}\n eln:\n base_sections:\n - 'nomad.datamodel.metainfo.basesections.CompositeSystem'\n - 'nomad.datamodel.data.EntryData'\n quantities:\n name:\n type: str # The simple string type\n default: Default Sample Name\n m_annotations:\n eln:\n component: StringEditQuantity # A simple text edit form field\n tags:\n type:\n type_kind: Enum\n type_data:\n - internal\n - collaboration\n - project\n - other\n shape: ['*'] # Shapes define non scalar values, like lists ['*'], vectors ['*', 3], etc.\n m_annotations:\n eln:\n component: AutocompleteEditQuantity # Allows to edit enums with an auto complete text form field\n chemicals:\n type: '#/Chemical' # Types can also be other sections. This allows to reference a different section.\n shape: ['*']\n m_annotations:\n eln:\n component: ReferenceEditQuantity # A editor component that allows to select from available \"Chemical\"s\n substrate_type:\n type:\n type_kind: Enum\n type_data:\n - Fused quartz glass\n - SLG\n - other\n m_annotations:\n eln:\n component: RadioEnumEditQuantity\n substrate_thickness:\n type: np.float64\n unit: m\n m_annotations:\n eln:\n component: NumberEditQuantity\n sample_is_from_collaboration:\n type: bool\n m_annotations:\n eln:\n component: BoolEditQuantity\n # Besides quantities, a section can define sub_sections. This allows hierarchies\n # of information.\n sub_sections:\n # Here we define a sub_section of \"Sample\" called \"processes\"\n processes:\n section:\n # The sub-section's section, is itself a section definition\n m_annotations:\n eln: # adds the sub-section to the eln and allows users to create new instances of this sub-section\n # We can also nest sub_sections. It goes aribitrarely deep.\n sub_sections:\n pvd_evaporation:\n section:\n base_sections: ['Process', 'nomad.parsing.tabular.TableData', 'nomad.datamodel.metainfo.plot.PlotSection']\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description', 'method']\n # Plots are shown in the eln. Currently we only support simple x,y\n # line plots\n plotly_graph_object:\n - data:\n - x: \"#time\"\n y: \"#chamber_pressure\"\n - x: \"#time\"\n y: \"#substrate_temperature\"\n yaxis: y2\n layout:\n title:\n text: Pressure and Temperature over Time\n yaxis2:\n overlaying: y\n side: right\n - data:\n x: \"#time\"\n y: \"#chamber_pressure\"\n open: false\n - data:\n x: \"#time\"\n y: \"#substrate_temperature\"\n open: true\n quantities:\n data_file:\n type: str\n description: |\n A reference to an uploaded .csv produced by the PVD evaporation instruments\n control software.\n m_annotations:\n # The tabular_parser annotation, will treat the values of this\n # quantity as files. It will try to interpret the files and fill\n # quantities in this section (and sub_section) with the column\n # data of .csv or .xlsx files. There is also a mode option that by default, is set to column.\n tabular_parser:\n parsing_options:\n comment: '#'\n sep: '\\t'\n mapping_options:\n - mapping_mode: column\n file_mode: current_entry\n sections:\n - '#root'\n browser:\n adaptor: RawFileAdaptor # Allows to navigate to files in the data browser\n eln:\n component: FileEditQuantity # A form field that allows to drop and select files.\n time:\n type: np.float64\n shape: ['*']\n unit: s\n m_annotations:\n # The tabular annotation defines a mapping to column headers used in\n # tabular data files\n tabular:\n name: Process Time in seconds\n chamber_pressure:\n type: np.float64\n shape: ['*']\n unit: mbar\n m_annotations:\n eln:\n # component: NumberEditQuantity\n # defaultDisplayUnit: mbar ## MUST NOT BE AN ARRAY FOR THIS https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/932\n tabular:\n name: Vacuum Pressure1\n substrate_temperature:\n type: np.float64\n shape: ['*']\n unit: kelvin\n m_annotations:\n tabular:\n name: Substrate PV\n unit: degC\n hotplate_annealing:\n section:\n base_section: Process\n m_annotations:\n # We can use the eln annotations to put the section to the overview\n # page, and hide unwanted inherited quantities.\n eln:\n overview: true\n hide: ['name', 'lab_id', 'description']\n quantities:\n set_temperature:\n type: np.float64 # For actual numbers, we use numpy datatypes\n unit: K # The unit system is based on Pint and allows all kinds of abreviations, prefixes, and complex units\n m_annotations:\n eln:\n component: NumberEditQuantity # A component to enter numbers (with units)\n duration:\n type: np.float64\n unit: s\n m_annotations:\n eln:\n component: NumberEditQuantity\n\n", "headers": { - "cache-control": "max-age=0, no-cache, no-store, must-revalidate", "connection": "close", "content-disposition": "attachment; filename=\"schema.archive.yaml\"", "content-type": "application/octet-stream", diff --git a/gui/tests/env.js b/gui/tests/env.js index 1229b90c75f549bce4b06c4d23061fcd49ed45e1..be259bde81b5e555a6f31d7cb8055295b660eea0 100644 --- a/gui/tests/env.js +++ b/gui/tests/env.js @@ -4574,7 +4574,7 @@ window.nomadEnv = { "homepage": "https://github.com/nomad-coe/nomad-schema-plugin-run.git", "name": "runschema", "repository": null, - "version": "1.0" + "version": "1.0.1" }, "simulationworkflownormalizer": { "description": "Simulation workflow nomad plugin for NOMAD.", diff --git a/nomad/datamodel/metainfo/annotations.py b/nomad/datamodel/metainfo/annotations.py index 8de3a066ff907e1ae62cd13112fca7be97cad442..8f353097c43d4eb30510c60cdb34465612919d49 100644 --- a/nomad/datamodel/metainfo/annotations.py +++ b/nomad/datamodel/metainfo/annotations.py @@ -695,6 +695,7 @@ class PlotlyExpressAnnotation(PlotlyExpressTraceAnnotation): y: '#yArr' label: 'Example Express Plot' index: 0 + open: true layout: title: text: 'Example Express Plot' @@ -738,6 +739,7 @@ class PlotlyGraphObjectAnnotation(BaseModel): text: 'Plotly Graph Object' label: 'Plotly Graph Object' index: 1 + open: true ``` """ diff --git a/nomad/datamodel/metainfo/plot.py b/nomad/datamodel/metainfo/plot.py index 805fba720cef8df4fc73a4717f65457295dc8926..f7069e26d33965ad30753a039a98275bc1161fb0 100644 --- a/nomad/datamodel/metainfo/plot.py +++ b/nomad/datamodel/metainfo/plot.py @@ -44,7 +44,10 @@ def get_figure_layout(annotation): index = annotation.get('index', None) if index is not None: annotation.pop('index') - return label, index + figure_open = annotation.get('open', None) + if figure_open is not None: + annotation.pop('open') + return label, index, figure_open def resolve_plot_references(annotations, archive, logger): @@ -130,6 +133,10 @@ m_package = Package() class Figure(MSection): label = Quantity(type=str, description='Label shown in the plot selection.') index = Quantity(type=int, description='Index of figure in the plot selection.') + open = Quantity( + type=bool, + description='Determines whether the figure is initially open or closed.', + ) class PlotlyFigureQuantity(Quantity): @@ -242,7 +249,9 @@ class PlotSection(ArchiveSection): if plotly_graph_object_annotations: for plotly_graph_object_annotation in plotly_graph_object_annotations: figure = {} - label, figure_index = get_figure_layout(plotly_graph_object_annotation) + label, figure_index, figure_open = get_figure_layout( + plotly_graph_object_annotation + ) if 'data' in plotly_graph_object_annotation: figure['data'] = plotly_graph_object_annotation['data'] if 'layout' in plotly_graph_object_annotation: @@ -250,13 +259,20 @@ class PlotSection(ArchiveSection): if 'config' in plotly_graph_object_annotation: figure['config'] = plotly_graph_object_annotation['config'] all_figures.append( - {'label': label, 'index': figure_index, 'graph_object': figure} + { + 'label': label, + 'index': figure_index, + 'open': figure_open, + 'graph_object': figure, + } ) if plotly_express_annotations: for plotly_express_annotation in plotly_express_annotations: try: - label, figure_index = get_figure_layout(plotly_express_annotation) + label, figure_index, figure_open = get_figure_layout( + plotly_express_annotation + ) fig, layout, traces = express_do_plot( plotly_express_annotation, archive, logger ) @@ -285,6 +301,7 @@ class PlotSection(ArchiveSection): { 'label': label, 'index': figure_index, + 'open': figure_open, 'graph_object': plotly_graph_object, } ) @@ -298,7 +315,9 @@ class PlotSection(ArchiveSection): if plotly_subplots_annotations: for plotly_subplots_annotation in plotly_subplots_annotations: try: - label, figure_index = get_figure_layout(plotly_subplots_annotation) + label, figure_index, figure_open = get_figure_layout( + plotly_subplots_annotation + ) parameters = plotly_subplots_annotation.get('parameters', None) if parameters: rows = parameters.get('rows', None) @@ -389,6 +408,7 @@ class PlotSection(ArchiveSection): { 'label': label, 'index': figure_index, + 'open': figure_open, 'graph_object': plotly_graph_object, } ) @@ -412,6 +432,7 @@ class PlotSection(ArchiveSection): PlotlyFigure( label=figure['label'], index=figure['index'], + open=figure['open'], figure=figure['graph_object'], ) ) diff --git a/requirements-dev.txt b/requirements-dev.txt index 30a9c097c109beaefd5b7cc22dad291f6c72505a..dfa794a5349e71b5433258b56c8f3d6a3b919dcc 100644 --- a/requirements-dev.txt +++ b/requirements-dev.txt @@ -63,7 +63,7 @@ fqdn==1.5.1 # via jsonschema, -r requirements.txt ghp-import==2.1.0 # via mkdocs gitdb==4.0.11 # via gitpython, -r requirements.txt gitpython==3.1.43 # via mkdocs-git-revision-date-localized-plugin, -r requirements.txt, nomad-lab (pyproject.toml) -greenlet==3.0.3 ; (python_full_version < '3.13' and platform_machine == 'AMD64') or (python_full_version < '3.13' and platform_machine == 'WIN32') or (python_full_version < '3.13' and platform_machine == 'aarch64') or (python_full_version < '3.13' and platform_machine == 'amd64') or (python_full_version < '3.13' and platform_machine == 'ppc64le') or (python_full_version < '3.13' and platform_machine == 'win32') or (python_full_version < '3.13' and platform_machine == 'x86_64') # via sqlalchemy, -r requirements.txt +greenlet==3.1.0 ; (python_full_version < '3.13' and platform_machine == 'AMD64') or (python_full_version < '3.13' and platform_machine == 'WIN32') or (python_full_version < '3.13' and platform_machine == 'aarch64') or (python_full_version < '3.13' and platform_machine == 'amd64') or (python_full_version < '3.13' and platform_machine == 'ppc64le') or (python_full_version < '3.13' and platform_machine == 'win32') or (python_full_version < '3.13' and platform_machine == 'x86_64') # via sqlalchemy, -r requirements.txt gunicorn==21.2.0 # via -r requirements.txt, nomad-lab (pyproject.toml) h11==0.14.0 # via httpcore, uvicorn, -r requirements.txt h5grove==1.3.0 # via -r requirements.txt, nomad-lab (pyproject.toml) @@ -156,8 +156,8 @@ pluggy==1.5.0 # via pytest prometheus-client==0.20.0 # via jupyterhub, -r requirements.txt prompt-toolkit==3.0.47 # via click-repl, -r requirements.txt psutil==6.0.0 ; sys_platform == 'win32' # via jupyterhub, -r requirements.txt -pyasn1==0.6.0 # via pyasn1-modules, rfc3161ng, -r requirements.txt -pyasn1-modules==0.4.0 # via rfc3161ng, -r requirements.txt +pyasn1==0.6.1 # via pyasn1-modules, rfc3161ng, -r requirements.txt +pyasn1-modules==0.4.1 # via rfc3161ng, -r requirements.txt pybtex==0.24.0 # via pymatgen, -r requirements.txt pycodestyle==2.12.1 # via nomad-lab (pyproject.toml) pycparser==2.22 ; platform_python_implementation != 'PyPy' # via cffi, -r requirements.txt @@ -187,7 +187,7 @@ python-logstash==0.4.6 # via -r requirements.txt, nomad-lab (pyproject.toml) python-magic==0.4.24 # via -r requirements.txt, nomad-lab (pyproject.toml) python-magic-bin==0.4.14 ; sys_platform == 'win32' # via -r requirements.txt, nomad-lab (pyproject.toml) python-multipart==0.0.9 # via -r requirements.txt, nomad-lab (pyproject.toml) -pytz==2024.1 # via mkdocs-git-revision-date-localized-plugin, pandas, -r requirements.txt, nomad-lab (pyproject.toml) +pytz==2024.2 # via mkdocs-git-revision-date-localized-plugin, pandas, -r requirements.txt, nomad-lab (pyproject.toml) pywin32==306 ; sys_platform == 'win32' # via docker, -r requirements.txt pywin32-ctypes==0.2.3 ; sys_platform == 'win32' # via keyring pyyaml==6.0.2 # via mkdocs, mkdocs-get-deps, mkdocs-macros-plugin, pybtex, pymdown-extensions, pyyaml-env-tag, uvicorn, -r requirements.txt, nomad-lab (pyproject.toml) @@ -235,7 +235,7 @@ termcolor==2.4.0 # via mkdocs-macros-plugin texttable==1.7.0 # via nomad-openbis, -r requirements.txt threadpoolctl==3.5.0 # via scikit-learn, -r requirements.txt tifffile==2024.8.30 # via h5grove, -r requirements.txt -tomli==2.0.1 ; python_full_version <= '3.11' # via coverage +tomli==2.0.1 ; python_full_version == '3.11' # via coverage toposort==1.10 # via -r requirements.txt, nomad-lab (pyproject.toml) tornado==6.4.1 # via jupyterhub, -r requirements.txt tqdm==4.66.5 # via pyedr, pymatgen, twine, -r requirements.txt @@ -250,7 +250,7 @@ uncertainties==3.2.2 # via pymatgen, -r requirements.txt unidecode==1.3.2 # via -r requirements.txt, nomad-lab (pyproject.toml) uri-template==1.3.0 # via jsonschema, -r requirements.txt urllib3==1.26.20 # via docker, elasticsearch, nomad-openbis, requests, -r requirements.txt -uv==0.4.8 # via nomad-lab (pyproject.toml) +uv==0.4.9 # via nomad-lab (pyproject.toml) uvicorn==0.30.6 # via h5grove, -r requirements.txt, nomad-lab (pyproject.toml) uvloop==0.20.0 ; platform_python_implementation != 'PyPy' and sys_platform != 'cygwin' and sys_platform != 'win32' # via uvicorn, -r requirements.txt validators==0.18.2 # via -r requirements.txt, nomad-lab (pyproject.toml) diff --git a/requirements-plugins.txt b/requirements-plugins.txt index aaed4c6dabc56b77ae2c657898e95fdbe47455df..f6e5215edfa35bf3ee2bce11b747468ec667f4ce 100644 --- a/requirements-plugins.txt +++ b/requirements-plugins.txt @@ -14,7 +14,7 @@ asteval==1.0.2 # via lmfit asttokens==2.4.1 # via stack-data, -c requirements-dev.txt async-lru==2.0.4 # via jupyterlab async-property==0.2.2 # via python-keycloak, -c requirements-dev.txt -atomisticparsers @ git+https://github.com/nomad-coe/atomistic-parsers.git@eebca28ebe83b3c945e922910b18a16ec36e8122 # via -r default_plugins.txt +atomisticparsers @ git+https://github.com/nomad-coe/atomistic-parsers.git@52080e68b284279dcfdbc7980f3874b46a61c0af # via -r default_plugins.txt attrs==24.2.0 # via jsonschema, -c requirements-dev.txt babel==2.16.0 # via jupyterlab-server, -c requirements-dev.txt beautifulsoup4==4.12.3 # via nbconvert, -c requirements-dev.txt @@ -49,7 +49,7 @@ docstring-parser==0.16 # via nomad-lab, -c requirements-dev.txt eelsdbconverter @ git+https://github.com/nomad-coe/nomad-parser-eelsdb.git@788eb03dc71ef9b164e2a5ccb9c0209b546f5c38 # via -r default_plugins.txt elasticsearch==7.17.1 # via elasticsearch-dsl, -c requirements-dev.txt elasticsearch-dsl==7.4.0 # via nomad-lab, -c requirements-dev.txt -electronicparsers @ git+https://github.com/nomad-coe/electronic-parsers.git@8d4ba60e1893afad1ad43df1bf0a0911f17bffc0 # via -r default_plugins.txt +electronicparsers @ git+https://github.com/nomad-coe/electronic-parsers.git@807b9fceaa079c1cc787658585f576d57d548e3e # via -r default_plugins.txt entrypoints==0.4 # via ipyparallel et-xmlfile==1.1.0 # via openpyxl, -c requirements-dev.txt executing==2.1.0 # via stack-data, -c requirements-dev.txt @@ -63,7 +63,7 @@ flatdict==4.0.1 # via ifes-apt-tc-data-modeling, pynxtools-em fonttools==4.53.1 # via matplotlib, -c requirements-dev.txt fqdn==1.5.1 # via jsonschema, -c requirements-dev.txt fsspec==2024.6.1 # via dask, hyperspy -greenlet==3.0.3 ; (python_full_version < '3.13' and platform_machine == 'AMD64') or (python_full_version < '3.13' and platform_machine == 'WIN32') or (python_full_version < '3.13' and platform_machine == 'aarch64') or (python_full_version < '3.13' and platform_machine == 'amd64') or (python_full_version < '3.13' and platform_machine == 'ppc64le') or (python_full_version < '3.13' and platform_machine == 'win32') or (python_full_version < '3.13' and platform_machine == 'x86_64') # via sqlalchemy, -c requirements-dev.txt +greenlet==3.1.0 ; (python_full_version < '3.13' and platform_machine == 'AMD64') or (python_full_version < '3.13' and platform_machine == 'WIN32') or (python_full_version < '3.13' and platform_machine == 'aarch64') or (python_full_version < '3.13' and platform_machine == 'amd64') or (python_full_version < '3.13' and platform_machine == 'ppc64le') or (python_full_version < '3.13' and platform_machine == 'win32') or (python_full_version < '3.13' and platform_machine == 'x86_64') # via sqlalchemy, -c requirements-dev.txt griddataformats==1.0.2 # via mdanalysis h11==0.14.0 # via httpcore, -c requirements-dev.txt h5grove==1.3.0 # via jupyterlab-h5web, -c requirements-dev.txt @@ -121,7 +121,7 @@ matplotlib==3.9.2 # via ase, asr, diffsims, hyperspy, kikuchipy, matplot matplotlib-inline==0.1.7 # via ipykernel, ipython matplotlib-scalebar==0.8.1 # via orix mda-xdrlib==0.2.0 # via mdanalysis, pyedr, -c requirements-dev.txt -mdanalysis==2.7.0 # via atomisticparsers, nomad-lab, nomad-schema-plugin-simulation-workflow +mdanalysis==2.7.0 # via atomisticparsers, nomad-schema-plugin-simulation-workflow mergedeep==1.3.4 # via pynxtools, -c requirements-dev.txt mistune==3.0.2 # via nbconvert, -c requirements-dev.txt mmtf-python==1.1.3 # via mdanalysis @@ -136,7 +136,7 @@ nbformat==5.10.4 # via jupyter-server, nbclient, nbconvert ndindex==1.8 # via blosc2 nest-asyncio==1.6.0 # via ipykernel netcdf4==1.6.5 # via electronicparsers, -c requirements-dev.txt -networkx==3.3 # via matid, nomad-lab, nomad-schema-plugin-simulation-workflow, pymatgen, radioactivedecay, scikit-image, -c requirements-dev.txt +networkx==3.3 # via matid, nomad-schema-plugin-simulation-workflow, pymatgen, radioactivedecay, scikit-image, -c requirements-dev.txt niondata==15.6.3 # via nionswift, nionswift-io nionswift==16.11.0 # via pynxtools-em nionswift-io==15.2.1 # via nionswift @@ -151,8 +151,8 @@ nomad-normalizer-plugin-soap @ git+https://github.com/nomad-coe/nomad-normalizer nomad-normalizer-plugin-spectra @ git+https://github.com/nomad-coe/nomad-normalizer-plugin-spectra.git@ec147326b3485ca9c324aca8a8dea520eb01e7dc # via -r default_plugins.txt nomad-normalizer-plugin-system @ git+https://github.com/nomad-coe/nomad-normalizer-plugin-system.git@01523ddbc85676a40af40f4747f5f13676f34c0f # via -r default_plugins.txt nomad-porous-materials @ git+https://github.com/FAIRmat-NFDI/nomad-porous-materials.git@522f4a3208077f534f1c5e886527ee2104283d0b # via -r default_plugins.txt -nomad-schema-plugin-run @ git+https://github.com/nomad-coe/nomad-schema-plugin-run.git@92d120dc4c5f7f4bcd94990ed009f8ac0019acec # via atomisticparsers, databaseparsers, electronicparsers, nomad-schema-plugin-simulation-workflow, simulationparsers, workflowparsers, -r default_plugins.txt -nomad-schema-plugin-simulation-workflow @ git+https://github.com/nomad-coe/nomad-schema-plugin-simulation-workflow.git@5631278b983072a6e7cb6fea40c4b3ca49b7b804 # via atomisticparsers, databaseparsers, electronicparsers, nomad-normalizer-plugin-simulation-workflow, workflowparsers, -r default_plugins.txt +nomad-schema-plugin-run @ git+https://github.com/nomad-coe/nomad-schema-plugin-run.git@439a61c8edf01606af6d56dfe22e99d37eced127 # via atomisticparsers, databaseparsers, electronicparsers, nomad-schema-plugin-simulation-workflow, simulationparsers, workflowparsers, -r default_plugins.txt +nomad-schema-plugin-simulation-workflow @ git+https://github.com/nomad-coe/nomad-schema-plugin-simulation-workflow.git@5c2164cae7197943fafc95225a2b282b5906a50e # via atomisticparsers, databaseparsers, electronicparsers, nomad-normalizer-plugin-simulation-workflow, workflowparsers, -r default_plugins.txt nomad-simulations==0.0.1 # via -r default_plugins.txt notebook==7.1.3 # via jupyter notebook-shim==0.2.4 # via jupyterlab, notebook @@ -188,8 +188,8 @@ psutil==6.0.0 # via diffsims, ipykernel, ipyparallel, pyxem, -c requ ptyprocess==0.7.0 ; os_name != 'nt' or (sys_platform != 'emscripten' and sys_platform != 'win32') # via pexpect, terminado pure-eval==0.2.3 # via stack-data py-cpuinfo==9.0.0 # via blosc2, tables -pyasn1==0.6.0 # via pyasn1-modules, rfc3161ng, -c requirements-dev.txt -pyasn1-modules==0.4.0 # via rfc3161ng, -c requirements-dev.txt +pyasn1==0.6.1 # via pyasn1-modules, rfc3161ng, -c requirements-dev.txt +pyasn1-modules==0.4.1 # via rfc3161ng, -c requirements-dev.txt pybtex==0.24.0 # via pymatgen, -c requirements-dev.txt pycparser==2.22 # via cffi, -c requirements-dev.txt pydantic==1.10.18 # via atomisticparsers, databaseparsers, electronicparsers, nomad-lab, nomad-porous-materials, workflowparsers, -c requirements-dev.txt @@ -213,7 +213,7 @@ python-dateutil==2.9.0.post0 # via arrow, elasticsearch-dsl, hyperspy, ipyparal python-json-logger==2.0.2 # via jupyter-events, -c requirements-dev.txt python-keycloak==4.3.0 # via nomad-lab, -c requirements-dev.txt python-magic==0.4.24 # via nomad-lab, -c requirements-dev.txt -pytz==2024.1 # via nionswift, nomad-lab, pandas, -c requirements-dev.txt +pytz==2024.2 # via nionswift, nomad-lab, pandas, -c requirements-dev.txt pywin32==306 ; platform_python_implementation != 'PyPy' and sys_platform == 'win32' # via jupyter-core, -c requirements-dev.txt pywinpty==2.0.13 ; os_name == 'nt' # via jupyter-server, jupyter-server-terminals, terminado pyxem==0.16.0 # via pynxtools-em @@ -276,7 +276,7 @@ webencodings==0.5.1 # via bleach, tinycss2, -c requirements-dev.txt websocket-client==1.8.0 # via jupyter-server werkzeug==3.0.4 # via flask widgetsnbextension==4.0.13 # via ipywidgets -workflowparsers @ git+https://github.com/nomad-coe/workflow-parsers.git@cb33c02468b1c38e9f94fd05a3180c121531902b # via -r default_plugins.txt +workflowparsers @ git+https://github.com/nomad-coe/workflow-parsers.git@d903cf5f93a7ad2edcc2f6071246c50d498dd50e # via -r default_plugins.txt wrapt==1.16.0 # via nomad-lab, -c requirements-dev.txt xarray==2024.7.0 # via nomad-lab, pynxtools, pynxtools-mpes, pynxtools-xps, workflowparsers, -c requirements-dev.txt xmltodict==0.13.0 # via fairmat-readers-xrd, ifes-apt-tc-data-modeling, pynxtools-em, pynxtools-xrd diff --git a/requirements.txt b/requirements.txt index 54ecbb99060d235c7569b45d1fcebe9dc9a6467f..d1196faaf0c2df90e5423bfdc52372ef1355a4a8 100644 --- a/requirements.txt +++ b/requirements.txt @@ -51,7 +51,7 @@ fonttools==4.53.1 # via matplotlib fqdn==1.5.1 # via jsonschema gitdb==4.0.11 # via gitpython gitpython==3.1.43 # via nomad-lab (pyproject.toml) -greenlet==3.0.3 ; (python_full_version < '3.13' and platform_machine == 'AMD64') or (python_full_version < '3.13' and platform_machine == 'WIN32') or (python_full_version < '3.13' and platform_machine == 'aarch64') or (python_full_version < '3.13' and platform_machine == 'amd64') or (python_full_version < '3.13' and platform_machine == 'ppc64le') or (python_full_version < '3.13' and platform_machine == 'win32') or (python_full_version < '3.13' and platform_machine == 'x86_64') # via sqlalchemy +greenlet==3.1.0 ; (python_full_version < '3.13' and platform_machine == 'AMD64') or (python_full_version < '3.13' and platform_machine == 'WIN32') or (python_full_version < '3.13' and platform_machine == 'aarch64') or (python_full_version < '3.13' and platform_machine == 'amd64') or (python_full_version < '3.13' and platform_machine == 'ppc64le') or (python_full_version < '3.13' and platform_machine == 'win32') or (python_full_version < '3.13' and platform_machine == 'x86_64') # via sqlalchemy gunicorn==21.2.0 # via nomad-lab (pyproject.toml) h11==0.14.0 # via httpcore, uvicorn h5grove==1.3.0 # via nomad-lab (pyproject.toml) @@ -117,8 +117,8 @@ plotly==5.24.0 # via pymatgen prometheus-client==0.20.0 # via jupyterhub prompt-toolkit==3.0.47 # via click-repl psutil==6.0.0 ; sys_platform == 'win32' # via jupyterhub -pyasn1==0.6.0 # via pyasn1-modules, rfc3161ng -pyasn1-modules==0.4.0 # via rfc3161ng +pyasn1==0.6.1 # via pyasn1-modules, rfc3161ng +pyasn1-modules==0.4.1 # via rfc3161ng pybtex==0.24.0 # via pymatgen pycparser==2.22 ; platform_python_implementation != 'PyPy' # via cffi pydantic==1.10.18 # via fastapi, optimade, nomad-lab (pyproject.toml) @@ -138,7 +138,7 @@ python-logstash==0.4.6 # via nomad-lab (pyproject.toml) python-magic==0.4.24 # via nomad-lab (pyproject.toml) python-magic-bin==0.4.14 ; sys_platform == 'win32' # via nomad-lab (pyproject.toml) python-multipart==0.0.9 # via nomad-lab (pyproject.toml) -pytz==2024.1 # via pandas, nomad-lab (pyproject.toml) +pytz==2024.2 # via pandas, nomad-lab (pyproject.toml) pywin32==306 ; sys_platform == 'win32' # via docker pyyaml==6.0.2 # via pybtex, uvicorn, nomad-lab (pyproject.toml) rdflib==5.0.0 # via nomad-lab (pyproject.toml)