optimade 2.0.3 → 2.0.4

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (9) hide show
  1. package/README.md +0 -0
  2. package/dist/index.js +2 -2
  3. package/dist/index.mjs +2 -2
  4. package/dist/prefetched.json +1 -1
  5. package/dist/types.d.ts +1 -0
  6. package/package.json +1 -1
  7. package/prefetch.js +1 -1
  8. package/src/index.ts +1 -1
  9. package/src/types.ts +1 -0
package/README.md CHANGED
File without changes
package/dist/index.js CHANGED
@@ -106,12 +106,12 @@
106
106
  }
107
107
  else {
108
108
  structure.meta.pages = Math.ceil(structure.meta.data_returned / (limit || structure.data.length));
109
- structure.meta.limits = provider.attributes.query_limits;
109
+ structure.meta.limits = provider.attributes.query_limits || [10];
110
110
  return structures.concat(structure);
111
111
  }
112
112
  }, []);
113
113
  }
114
- getStructuresAll(providerIds, filter = '', page = 0, limit, batch = true) {
114
+ getStructuresAll(providerIds, filter = '', page = 1, limit, batch = true) {
115
115
  const results = providerIds.reduce((structures, providerId) => {
116
116
  const provider = this.providers[providerId];
117
117
  if (provider) {
package/dist/index.mjs CHANGED
@@ -102,12 +102,12 @@ class Optimade {
102
102
  }
103
103
  else {
104
104
  structure.meta.pages = Math.ceil(structure.meta.data_returned / (limit || structure.data.length));
105
- structure.meta.limits = provider.attributes.query_limits;
105
+ structure.meta.limits = provider.attributes.query_limits || [10];
106
106
  return structures.concat(structure);
107
107
  }
108
108
  }, []);
109
109
  }
110
- getStructuresAll(providerIds, filter = '', page = 0, limit, batch = true) {
110
+ getStructuresAll(providerIds, filter = '', page = 1, limit, batch = true) {
111
111
  const results = providerIds.reduce((structures, providerId) => {
112
112
  const provider = this.providers[providerId];
113
113
  if (provider) {
package/dist/prefetched.json CHANGED
@@ -1 +1 @@
1
- {"providers":{"2dstructures":{"id":"2dstructures","type":"links","attributes":{"name":"2D Structures","description":"Two-dimensional (2D) materials from high-throughput computational exfoliation of experimentally known compounds.","base_url":"https://aiida.materialscloud.org/2dstructures/optimade","homepage":"https://materialscloud.org/explore/2dstructures","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"2dtopo":{"id":"2dtopo","type":"links","attributes":{"name":"2D topological insulators","description":"Quantum spin Hall insulator (QSHI) candidates through DFT band structure calculations of a database with 1825 compounds.","base_url":"https://aiida.materialscloud.org/2dtopo/optimade","homepage":"https://materialscloud.org/explore/2dtopo","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"cod":{"id":"cod","type":"links","attributes":{"name":"Crystallography Open Database","description":"Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers","base_url":"https://www.crystallography.net/cod/optimade","homepage":"https://www.crystallography.net/cod","link_type":"child","query_limits":[10]}},"curated-cofs":{"id":"curated-cofs","type":"links","attributes":{"name":"CURATED covalent organic frameworks database","description":"Database of experimentally reported Covalent-Organic Frameworks (COFs), provided with DFT-optimized geometry and DDEC partial charges for molecular simulations.","base_url":"https://aiida.materialscloud.org/curated-cofs/optimade","homepage":"https://materialscloud.org/discover/curated-cofs","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"li-ion-conductors":{"id":"li-ion-conductors","type":"links","attributes":{"name":"Solid-state Li-ion conductors.","description":"High-throughput computational screening study for solid-state Li-ion conductors.","base_url":"https://aiida.materialscloud.org/li-ion-conductors/optimade","homepage":"https://materialscloud.org/explore/li-ion-conductors","link_type":"child","aggregate":"staging","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"mp":{"id":"mp","type":"links","attributes":{"name":"The Materials Project","description":"The Materials Project OPTIMADE endpoint","base_url":"https://optimade.materialsproject.org","homepage":"https://www.materialsproject.org","link_type":"child","api_version":"1.0.1","query_limits":[500]}},"mpds":{"id":"mpds","type":"links","attributes":{"name":"Materials Platform for Data Science","description":"A highly curated Pauling File dataset based on ~0.5M publications and backing up Springer Materials, ICDD PDF, ASM APD, MedeA, Pearson Crystal Data, AtomWork Advanced, etc.","base_url":"https://api.mpds.io","homepage":"https://mpds.io","link_type":"child","api_version":"1.0.0","query_limits":[10,100,750]}},"nmd":{"id":"nmd","type":"links","attributes":{"name":"novel materials discovery (NOMAD)","description":"A FAIR data sharing platform for materials science data","base_url":"https://nomad-lab.eu/prod/rae/optimade/","homepage":"https://nomad-lab.eu","link_type":"child","api_version":"1.0.1","query_limits":[500]}},"odbx":{"id":"odbx","type":"links","attributes":{"name":"odbx","description":"The Open Database of Xtals is run by the group of Dr Andrew Morris at the universities of Birmingham and Cambridge and is constructed using the matador library.","base_url":"https://optimade.odbx.science","homepage":"https://odbx.science","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[500]}},"optimade-sample":{"id":"optimade-sample","type":"links","attributes":{"name":"OPTIMADE Sample Database","description":"Database with example structures for OPTIMADE tests.","base_url":"https://aiida.materialscloud.org/optimade-sample/optimade","homepage":"https://materialscloud.org/explore/optimade-sample","link_type":"child","aggregate":"test","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"pyrene-mofs":{"id":"pyrene-mofs","type":"links","attributes":{"name":"Pyrene MOFs","description":"Pyrene Metal Organic Frameworks (MOFs).","base_url":"https://aiida.materialscloud.org/pyrene-mofs/optimade","homepage":"https://materialscloud.org/discover/pyrene-mofs","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"scdm":{"id":"scdm","type":"links","attributes":{"name":"Automated high-throughput Wannierisation","description":"Validation results of an automated protocol for generating maximally-localized Wannier functions in a high-throughput framework.","base_url":"https://aiida.materialscloud.org/autowannier/optimade","homepage":"https://materialscloud.org/explore/autowannier","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"sssp":{"id":"sssp","type":"links","attributes":{"name":"Standard solid-state pseudopotentials (SSSP)","description":"It contains data generated from the testing protocol of the standard solid-state pseudopotentials library.\n","base_url":"https://aiida.materialscloud.org/sssplibrary/optimade","homepage":"https://materialscloud.org/explore/sssplibrary","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"stoceriaitf":{"id":"stoceriaitf","type":"links","attributes":{"name":"SrTiO3-CeO2 interfaces","description":"Refining random structure searching results of SrTiO3-CeO2 interfaces, and exploring how it can affect ionic conduction. Candidate structures of the DFT validation calculations.","base_url":"https://aiida.materialscloud.org/stoceriaitf/optimade","homepage":"https://materialscloud.org/explore/stoceriaitf","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"tc-applicability":{"id":"tc-applicability","type":"links","attributes":{"name":"Applicability of tail-corrections in the molecular simulations of porous materials","description":"Tail-corrections in molecular simulations for adsorption of gasses in a diverse set of nanoporous crystalline materials (zeolites, Covalent Organic Framworks (COFs), and Metal Organic Frameworks (MOFs)).","base_url":"https://aiida.materialscloud.org/tc-applicability/optimade","homepage":"https://materialscloud.org/explore/tc-applicability","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"tcod":{"id":"tcod","type":"links","attributes":{"name":"Theoretical Crystallography Open Database","description":"Open-access collection of theoretically calculated or refined crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers","base_url":"https://www.crystallography.net/tcod/optimade","homepage":"https://www.crystallography.net/tcod","link_type":"child","query_limits":[10]}},"threedd":{"id":"threedd","type":"links","attributes":{"name":"Three-dimensional crystals database","description":"Curated set of relaxed three-dimensional crystal structures based on raw CIF data from the experimantal databases MPDS, COD, and ICSD.","base_url":"https://aiida.materialscloud.org/3dd/optimade","homepage":"https://materialscloud.org/explore/3dd","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"tin-antimony-sulfoiodide":{"id":"tin-antimony-sulfoiodide","type":"links","attributes":{"name":"Hidden spontaneous polarisation in the chalcohalide photovoltaic Sn2SbS2I3","description":"Structural, dynamic and electronic characterisation of a novel mixed-metal chalcohalide revealing hidden symmetry breaking and spontaneous polarisation.","base_url":"https://aiida.materialscloud.org/tin-antimony-sulfoiodide/optimade","homepage":"https://materialscloud.org/explore/tin-antimony-sulfoiodide","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"twodmatpedia":{"id":"twodmatpedia","type":"links","attributes":{"name":"2DMatpedia","description":"2DMatpedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches","base_url":"http://optimade.2dmatpedia.org","homepage":"http://2dmatpedia.org","link_type":"child","api_version":"1.1.0","query_limits":[500]}}},"apis":{"2dstructures":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/2dstructures/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"2dtopo":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/2dtopo/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"aflow":[{"type":"info","id":"/","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"http://aflow.org/API/optimade/v0.9/","version":"0.9.0"},{"url":"http://aflow.org/API/optimade/v1.0/","version":"1.0.0"},{"url":"http://aflow.org/API/optimade/v1.1/","version":"1.1.0"}],"formats":["json"],"entry_types_by_format":{"json":["structures","calculations"]},"available_endpoints":["structures","calculations","info","links"]},"is_index":false}],"cod":[{"attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://www.crystallography.net/cod/optimade/v1.0.0/","version":"1.0.0"}],"available_endpoints":["structures","info"],"entry_types_by_format":{"json":["structures"]},"formats":["json"]},"id":"/","type":"info"}],"curated-cofs":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/curated-cofs/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"jarvis":[{"type":"info","id":"/","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://jarvis.nist.gov/optimade/jarvisdft/v1","version":"1.0.0"}],"formats":["json","xml","yaml"],"entry_types_by_format":{"json":["structures"],"xml":["structures"],"yaml":["structures"]},"available_endpoints":["structures","info","links","versions"],"is_index":false}}],"li-ion-conductors":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/li-ion-conductors/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"mp":[{"id":"/","type":"info","attributes":{"api_version":"1.0.1","available_api_versions":[{"url":"http://optimade.materialsproject.org/v1","version":"1.0.1"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}],"mpds":[{"type":"info","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://api.mpds.io/v1","version":"1.0.0"}],"available_endpoints":["structures","extensions/properties","extensions/phase_diagrams","extensions/phases"],"formats":["json"],"entry_types_by_format":{"json":["structures","extensions/properties","extensions/phase_diagrams","extensions/phases"]}}}],"nmd":[{"id":"/","type":"info","attributes":{"api_version":"1.0.1","available_api_versions":[{"url":"https://nomad-lab.eu/prod/rae/optimade/v1","version":"1.0.1"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}],"odbx":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://optimade.odbx.science/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}],"omdb_production":[{"attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"http://optimade.openmaterialsdb.se/v1","version":"1.0.0"},{"url":"http://optimade.openmaterialsdb.se/v1.0.0","version":"1.0.0"},{"url":"http://optimade.openmaterialsdb.se/v1.0","version":"1.0.0"}],"available_endpoints":["info","links","structures"],"entry_types_by_format":{"json":["structures"]},"formats":["json"],"is_index":false},"id":"/","type":"info"}],"optimade-sample":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/optimade-sample/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"oqmd":[{"type":"info","id":"/","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"http://oqmd.org/optimade/v1/","version":"1.0.0"}],"formats":["json","xml","yaml"],"entry_types_by_format":{"json":["structures"],"xml":["structures"],"yaml":["structures"]},"available_endpoints":["structures","info","links","versions"],"is_index":false}}],"pyrene-mofs":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/pyrene-mofs/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"scdm":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/autowannier/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"sssp":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/sssplibrary/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"stoceriaitf":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/stoceriaitf/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"tc-applicability":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/tc-applicability/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"tcod":[{"attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://www.crystallography.net/tcod/optimade/v1.0.0/","version":"1.0.0"}],"available_endpoints":["structures","info"],"entry_types_by_format":{"json":["structures"]},"formats":["json"]},"id":"/","type":"info"}],"threedd":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/3dd/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"tin-antimony-sulfoiodide":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/tin-antimony-sulfoiodide/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"twodmatpedia":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"http://optimade.2dmatpedia.org/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}]}}
1
+ {"providers":{"2dstructures":{"id":"2dstructures","type":"links","attributes":{"name":"2D Structures","description":"Two-dimensional (2D) materials from high-throughput computational exfoliation of experimentally known compounds.","base_url":"https://aiida.materialscloud.org/2dstructures/optimade","homepage":"https://materialscloud.org/explore/2dstructures","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"2dtopo":{"id":"2dtopo","type":"links","attributes":{"name":"2D topological insulators","description":"Quantum spin Hall insulator (QSHI) candidates through DFT band structure calculations of a database with 1825 compounds.","base_url":"https://aiida.materialscloud.org/2dtopo/optimade","homepage":"https://materialscloud.org/explore/2dtopo","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"cod":{"id":"cod","type":"links","attributes":{"name":"Crystallography Open Database","description":"Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers","base_url":"https://www.crystallography.net/cod/optimade","homepage":"https://www.crystallography.net/cod","link_type":"child","api_version":"1.0.0","query_limits":[10]}},"curated-cofs":{"id":"curated-cofs","type":"links","attributes":{"name":"CURATED covalent organic frameworks database","description":"Database of experimentally reported Covalent-Organic Frameworks (COFs), provided with DFT-optimized geometry and DDEC partial charges for molecular simulations.","base_url":"https://aiida.materialscloud.org/curated-cofs/optimade","homepage":"https://materialscloud.org/discover/curated-cofs","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"li-ion-conductors":{"id":"li-ion-conductors","type":"links","attributes":{"name":"Solid-state Li-ion conductors.","description":"High-throughput computational screening study for solid-state Li-ion conductors.","base_url":"https://aiida.materialscloud.org/li-ion-conductors/optimade","homepage":"https://materialscloud.org/explore/li-ion-conductors","link_type":"child","aggregate":"staging","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"mp":{"id":"mp","type":"links","attributes":{"name":"The Materials Project","description":"The Materials Project OPTIMADE endpoint","base_url":"https://optimade.materialsproject.org","homepage":"https://www.materialsproject.org","link_type":"child","api_version":"1.0.1","query_limits":[500]}},"mpds":{"id":"mpds","type":"links","attributes":{"name":"Materials Platform for Data Science","description":"A highly curated Pauling File dataset based on ~0.5M publications and backing up Springer Materials, ICDD PDF, ASM APD, MedeA, Pearson Crystal Data, AtomWork Advanced, etc.","base_url":"https://api.mpds.io","homepage":"https://mpds.io","link_type":"child","api_version":"1.0.0","query_limits":[5,10,100,750]}},"nmd":{"id":"nmd","type":"links","attributes":{"name":"novel materials discovery (NOMAD)","description":"A FAIR data sharing platform for materials science data","base_url":"https://nomad-lab.eu/prod/rae/optimade/","homepage":"https://nomad-lab.eu","link_type":"child","api_version":"1.0.1","query_limits":[500]}},"odbx":{"id":"odbx","type":"links","attributes":{"name":"odbx","description":"The Open Database of Xtals is run by the group of Dr Andrew Morris at the universities of Birmingham and Cambridge and is constructed using the matador library.","base_url":"https://optimade.odbx.science","homepage":"https://odbx.science","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[500]}},"optimade-sample":{"id":"optimade-sample","type":"links","attributes":{"name":"OPTIMADE Sample Database","description":"Database with example structures for OPTIMADE tests.","base_url":"https://aiida.materialscloud.org/optimade-sample/optimade","homepage":"https://materialscloud.org/explore/optimade-sample","link_type":"child","aggregate":"test","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"pyrene-mofs":{"id":"pyrene-mofs","type":"links","attributes":{"name":"Pyrene MOFs","description":"Pyrene Metal Organic Frameworks (MOFs).","base_url":"https://aiida.materialscloud.org/pyrene-mofs/optimade","homepage":"https://materialscloud.org/discover/pyrene-mofs","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"scdm":{"id":"scdm","type":"links","attributes":{"name":"Automated high-throughput Wannierisation","description":"Validation results of an automated protocol for generating maximally-localized Wannier functions in a high-throughput framework.","base_url":"https://aiida.materialscloud.org/autowannier/optimade","homepage":"https://materialscloud.org/explore/autowannier","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"sssp":{"id":"sssp","type":"links","attributes":{"name":"Standard solid-state pseudopotentials (SSSP)","description":"It contains data generated from the testing protocol of the standard solid-state pseudopotentials library.\n","base_url":"https://aiida.materialscloud.org/sssplibrary/optimade","homepage":"https://materialscloud.org/explore/sssplibrary","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"stoceriaitf":{"id":"stoceriaitf","type":"links","attributes":{"name":"SrTiO3-CeO2 interfaces","description":"Refining random structure searching results of SrTiO3-CeO2 interfaces, and exploring how it can affect ionic conduction. Candidate structures of the DFT validation calculations.","base_url":"https://aiida.materialscloud.org/stoceriaitf/optimade","homepage":"https://materialscloud.org/explore/stoceriaitf","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"tc-applicability":{"id":"tc-applicability","type":"links","attributes":{"name":"Applicability of tail-corrections in the molecular simulations of porous materials","description":"Tail-corrections in molecular simulations for adsorption of gasses in a diverse set of nanoporous crystalline materials (zeolites, Covalent Organic Framworks (COFs), and Metal Organic Frameworks (MOFs)).","base_url":"https://aiida.materialscloud.org/tc-applicability/optimade","homepage":"https://materialscloud.org/explore/tc-applicability","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"tcod":{"id":"tcod","type":"links","attributes":{"name":"Theoretical Crystallography Open Database","description":"Open-access collection of theoretically calculated or refined crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers","base_url":"https://www.crystallography.net/tcod/optimade","homepage":"https://www.crystallography.net/tcod","link_type":"child","api_version":"1.0.0","query_limits":[10]}},"threedd":{"id":"threedd","type":"links","attributes":{"name":"Three-dimensional crystals database","description":"Curated set of relaxed three-dimensional crystal structures based on raw CIF data from the experimantal databases MPDS, COD, and ICSD.","base_url":"https://aiida.materialscloud.org/3dd/optimade","homepage":"https://materialscloud.org/explore/3dd","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"tin-antimony-sulfoiodide":{"id":"tin-antimony-sulfoiodide","type":"links","attributes":{"name":"Hidden spontaneous polarisation in the chalcohalide photovoltaic Sn2SbS2I3","description":"Structural, dynamic and electronic characterisation of a novel mixed-metal chalcohalide revealing hidden symmetry breaking and spontaneous polarisation.","base_url":"https://aiida.materialscloud.org/tin-antimony-sulfoiodide/optimade","homepage":"https://materialscloud.org/explore/tin-antimony-sulfoiodide","link_type":"child","aggregate":"ok","no_aggregate_reason":null,"api_version":"1.1.0","query_limits":[100]}},"twodmatpedia":{"id":"twodmatpedia","type":"links","attributes":{"name":"2DMatpedia","description":"2DMatpedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches","base_url":"http://optimade.2dmatpedia.org","homepage":"http://2dmatpedia.org","link_type":"child","api_version":"1.1.0","query_limits":[500]}}},"apis":{"2dstructures":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/2dstructures/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"2dtopo":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/2dtopo/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"aflow":[{"type":"info","id":"/","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://aflow.org/API/optimade/v0.9/","version":"0.9.0"},{"url":"https://aflow.org/API/optimade/v1.0/","version":"1.0.0"},{"url":"https://aflow.org/API/optimade/v1.1/","version":"1.1.0"}],"formats":["json"],"entry_types_by_format":{"json":["structures","calculations"]},"available_endpoints":["structures","calculations","info","links"]},"is_index":false}],"cod":[{"attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://www.crystallography.net/cod/optimade/v1.0.0/","version":"1.0.0"}],"available_endpoints":["structures","info"],"entry_types_by_format":{"json":["structures"]},"formats":["json"]},"id":"/","type":"info"}],"curated-cofs":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/curated-cofs/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"jarvis":[{"type":"info","id":"/","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://jarvis.nist.gov/optimade/jarvisdft/v1","version":"1.0.0"}],"formats":["json","xml","yaml"],"entry_types_by_format":{"json":["structures"],"xml":["structures"],"yaml":["structures"]},"available_endpoints":["structures","info","links","versions"],"is_index":false}}],"li-ion-conductors":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/li-ion-conductors/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"mp":[{"id":"/","type":"info","attributes":{"api_version":"1.0.1","available_api_versions":[{"url":"http://optimade.materialsproject.org/v1","version":"1.0.1"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}],"mpds":[{"type":"info","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://api.mpds.io/v1","version":"1.0.0"}],"available_endpoints":["structures","extensions/properties","extensions/phase_diagrams","extensions/phases"],"formats":["json"],"entry_types_by_format":{"json":["structures","extensions/properties","extensions/phase_diagrams","extensions/phases"]}}}],"nmd":[{"id":"/","type":"info","attributes":{"api_version":"1.0.1","available_api_versions":[{"url":"http://nomad-lab.eu/v1","version":"1.0.1"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}],"odbx":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://optimade.odbx.science/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}],"omdb_production":[{"attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"http://optimade.openmaterialsdb.se/v1","version":"1.0.0"},{"url":"http://optimade.openmaterialsdb.se/v1.0.0","version":"1.0.0"},{"url":"http://optimade.openmaterialsdb.se/v1.0","version":"1.0.0"}],"available_endpoints":["info","links","structures"],"entry_types_by_format":{"json":["structures"]},"formats":["json"],"is_index":false},"id":"/","type":"info"}],"optimade-sample":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/optimade-sample/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"oqmd":[{"type":"info","id":"/","attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"http://oqmd.org/optimade/v1/","version":"1.0.0"}],"formats":["json","xml","yaml"],"entry_types_by_format":{"json":["structures"],"xml":["structures"],"yaml":["structures"]},"available_endpoints":["structures","info","links","versions"],"is_index":false}}],"pyrene-mofs":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/pyrene-mofs/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"scdm":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/autowannier/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"sssp":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/sssplibrary/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"stoceriaitf":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/stoceriaitf/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"tc-applicability":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/tc-applicability/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"tcod":[{"attributes":{"api_version":"1.0.0","available_api_versions":[{"url":"https://www.crystallography.net/tcod/optimade/v1.0.0/","version":"1.0.0"}],"available_endpoints":["structures","info"],"entry_types_by_format":{"json":["structures"]},"formats":["json"]},"id":"/","type":"info"}],"threedd":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/3dd/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"tin-antimony-sulfoiodide":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"https://aiida.materialscloud.org/tin-antimony-sulfoiodide/optimade/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","extensions/docs","extensions/redoc","extensions/openapi.json","structures"],"entry_types_by_format":{"json":["structures"]},"is_index":false}}],"twodmatpedia":[{"id":"/","type":"info","attributes":{"api_version":"1.1.0","available_api_versions":[{"url":"http://optimade.2dmatpedia.org/v1","version":"1.1.0"}],"formats":["json"],"available_endpoints":["info","links","structures","references"],"entry_types_by_format":{"json":["structures","references"]},"is_index":false}}]}}
package/dist/types.d.ts CHANGED
@@ -57,6 +57,7 @@ export interface Provider {
57
57
  homepage?: string | null;
58
58
  link_type?: string;
59
59
  query_limits?: number[];
60
+ api_version?: string;
60
61
  };
61
62
  }
62
63
  export interface Structure {
package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "optimade",
3
- "version": "2.0.3",
3
+ "version": "2.0.4",
4
4
  "description": "Aggregating Optimade client for the online materials databases",
5
5
  "main": "dist/index.js",
6
6
  "module": "dist/index.mjs",
package/prefetch.js CHANGED
@@ -34,7 +34,7 @@ optimade.getProviders().then(async () => {
34
34
  const url = `${v.attributes.base_url}/v1/structures?filter=${formula}&page_limit=${max}`;
35
35
  try {
36
36
  const res = await fetch(url).then(res => res.json());
37
- const api = res.meta && res.meta.api_version;
37
+ const api = res.meta && res.meta.api_version || apis[k][0].attributes.api_version;
38
38
  //console.dir(res);
39
39
  const detail = (e) => {
40
40
  return e
package/src/index.ts CHANGED
@@ -98,7 +98,7 @@ export class Optimade {
98
98
  }, []);
99
99
  }
100
100
 
101
- getStructuresAll(providerIds: string[], filter: string = '', page: number = 0, limit: number, batch: boolean = true): Promise<Promise<Types.StructuresResult>[]> | Promise<Types.StructuresResult>[] {
101
+ getStructuresAll(providerIds: string[], filter: string = '', page: number = 1, limit: number, batch: boolean = true): Promise<Promise<Types.StructuresResult>[]> | Promise<Types.StructuresResult>[] {
102
102
 
103
103
  const results = providerIds.reduce((structures: Promise<any>[], providerId: string) => {
104
104
  const provider = this.providers[providerId];
package/src/types.ts CHANGED
@@ -61,6 +61,7 @@ export interface Provider {
61
61
  homepage?: string | null;
62
62
  link_type?: string;
63
63
  query_limits?: number[];
64
+ api_version?: string;
64
65
  };
65
66
  }
66
67