From 3d8d27371ac5c037d03b4224db495a4ad0622d60 Mon Sep 17 00:00:00 2001 From: adewyer Date: Mon, 3 Jan 2022 15:37:28 -0500 Subject: [PATCH 01/12] Feat: Add Molecular Weight to structural properties --- example/material.json | 4 + package-lock.json | 165 ++++++++++++++---- .../derived_properties.json | 3 + 3 files changed, 134 insertions(+), 38 deletions(-) diff --git a/example/material.json b/example/material.json index efad29211..4a889f274 100644 --- a/example/material.json +++ b/example/material.json @@ -72,6 +72,10 @@ { "name": "inchi_key", "value": "" + }, + { + "name": "molecular_weight", + "value": 0 } ], "exabyteId": "RKiswuxHKkF3uvLyA", diff --git a/package-lock.json b/package-lock.json index a4f6f3971..d0f3ccadd 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1,6 +1,6 @@ { "name": "@exabyte-io/esse.js", - "version": "2020.10.19.2", + "version": "2021.05.06", "lockfileVersion": 1, "requires": true, "dependencies": { @@ -53,12 +53,14 @@ "arr-flatten": { "version": "1.1.0", "resolved": "https://registry.npmjs.org/arr-flatten/-/arr-flatten-1.1.0.tgz", - "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==" + "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==", + "optional": true }, "arr-union": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/arr-union/-/arr-union-3.1.0.tgz", - "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=" + "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=", + "optional": true }, "array-unique": { "version": "0.2.1", @@ -75,7 +77,8 @@ "assign-symbols": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/assign-symbols/-/assign-symbols-1.0.0.tgz", - "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=" + "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=", + "optional": true }, "async": { "version": "3.2.0", @@ -91,7 +94,8 @@ "atob": { "version": "2.1.2", "resolved": "https://registry.npmjs.org/atob/-/atob-2.1.2.tgz", - "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==" + "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==", + "optional": true }, "babel-cli": { "version": "6.26.0", @@ -754,6 +758,7 @@ "version": "0.11.2", "resolved": "https://registry.npmjs.org/base/-/base-0.11.2.tgz", "integrity": "sha512-5T6P4xPgpp0YDFvSWwEZ4NoE3aM4QBQXDzmVbraCkFj8zHM+mba8SyqB5DbZWyR7mYHo6Y7BdQo3MoA4m0TeQg==", + "optional": true, "requires": { "cache-base": "^1.0.1", "class-utils": "^0.3.5", @@ -768,6 +773,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/define-property/-/define-property-1.0.0.tgz", "integrity": "sha1-dp66rz9KY6rTr56NMEybvnm/sOY=", + "optional": true, "requires": { "is-descriptor": "^1.0.0" } @@ -776,6 +782,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-1.0.0.tgz", "integrity": "sha512-m5hnHTkcVsPfqx3AKlyttIPb7J+XykHvJP2B9bZDjlhLIoEq4XoK64Vg7boZlVWYK6LUY94dYPEE7Lh0ZkZKcQ==", + "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -784,6 +791,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-1.0.0.tgz", "integrity": "sha512-jbRXy1FmtAoCjQkVmIVYwuuqDFUbaOeDjmed1tOGPrsMhtJA4rD9tkgA0F1qJ3gRFRXcHYVkdeaP50Q5rE/jLQ==", + "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -792,6 +800,7 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-1.0.2.tgz", "integrity": "sha512-2eis5WqQGV7peooDyLmNEPUrps9+SXX5c9pL3xEB+4e9HnGuDa7mB7kHxHw4CbqS9k1T2hOH3miL8n8WtiYVtg==", + "optional": true, "requires": { "is-accessor-descriptor": "^1.0.0", "is-data-descriptor": "^1.0.0", @@ -801,12 +810,14 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true }, "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", + "optional": true } } }, @@ -858,6 +869,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/cache-base/-/cache-base-1.0.1.tgz", "integrity": "sha512-AKcdTnFSWATd5/GCPRxr2ChwIJ85CeyrEyjRHlKxQ56d4XJMGym0uAiKn0xbLOGOl3+yRpOTi484dVCEc5AUzQ==", + "optional": true, "requires": { "collection-visit": "^1.0.0", "component-emitter": "^1.2.1", @@ -873,7 +885,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -931,6 +944,7 @@ "version": "0.3.6", "resolved": "https://registry.npmjs.org/class-utils/-/class-utils-0.3.6.tgz", "integrity": "sha512-qOhPa/Fj7s6TY8H8esGu5QNpMMQxz79h+urzrNYN6mn+9BnxlDGf5QZ+XeCDsxSjPqsSR56XOZOJmpeurnLMeg==", + "optional": true, "requires": { "arr-union": "^3.1.0", "define-property": "^0.2.5", @@ -942,6 +956,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -949,7 +964,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -967,6 +983,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/collection-visit/-/collection-visit-1.0.0.tgz", "integrity": "sha1-S8A3PBZLwykbTTaMgpzxqApZ3KA=", + "optional": true, "requires": { "map-visit": "^1.0.0", "object-visit": "^1.0.0" @@ -986,7 +1003,8 @@ "component-emitter": { "version": "1.3.0", "resolved": "https://registry.npmjs.org/component-emitter/-/component-emitter-1.3.0.tgz", - "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==" + "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==", + "optional": true }, "concat-map": { "version": "0.0.1", @@ -1004,7 +1022,8 @@ "copy-descriptor": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/copy-descriptor/-/copy-descriptor-0.1.1.tgz", - "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=" + "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=", + "optional": true }, "core-js": { "version": "2.6.11", @@ -1038,7 +1057,8 @@ "decode-uri-component": { "version": "0.2.0", "resolved": "https://registry.npmjs.org/decode-uri-component/-/decode-uri-component-0.2.0.tgz", - "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=" + "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=", + "optional": true }, "deep-eql": { "version": "0.1.3", @@ -1061,6 +1081,7 @@ "version": "2.0.2", "resolved": "https://registry.npmjs.org/define-property/-/define-property-2.0.2.tgz", "integrity": "sha512-jwK2UV4cnPpbcG7+VRARKTZPUWowwXA8bzH5NP6ud0oeAxyYPuGZUAC7hMugpCdz4BeSZl2Dl9k66CHJ/46ZYQ==", + "optional": true, "requires": { "is-descriptor": "^1.0.2", "isobject": "^3.0.1" @@ -1070,6 +1091,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-1.0.0.tgz", "integrity": "sha512-m5hnHTkcVsPfqx3AKlyttIPb7J+XykHvJP2B9bZDjlhLIoEq4XoK64Vg7boZlVWYK6LUY94dYPEE7Lh0ZkZKcQ==", + "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -1078,6 +1100,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-1.0.0.tgz", "integrity": "sha512-jbRXy1FmtAoCjQkVmIVYwuuqDFUbaOeDjmed1tOGPrsMhtJA4rD9tkgA0F1qJ3gRFRXcHYVkdeaP50Q5rE/jLQ==", + "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -1086,6 +1109,7 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-1.0.2.tgz", "integrity": "sha512-2eis5WqQGV7peooDyLmNEPUrps9+SXX5c9pL3xEB+4e9HnGuDa7mB7kHxHw4CbqS9k1T2hOH3miL8n8WtiYVtg==", + "optional": true, "requires": { "is-accessor-descriptor": "^1.0.0", "is-data-descriptor": "^1.0.0", @@ -1095,12 +1119,14 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true }, "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": 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"sha1-gQaNKVqBQuwKxybG4iAMMPttXoA=", + "optional": true }, "for-own": { "version": "0.1.5", @@ -1227,6 +1256,7 @@ "version": "0.2.1", "resolved": "https://registry.npmjs.org/fragment-cache/-/fragment-cache-0.2.1.tgz", "integrity": "sha1-QpD60n8T6Jvn8zeZxrxaCr//DRk=", + "optional": true, "requires": { "map-cache": "^0.2.2" } @@ -1272,7 +1302,8 @@ "get-value": { "version": "2.0.6", "resolved": "https://registry.npmjs.org/get-value/-/get-value-2.0.6.tgz", - "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=" + "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=", + "optional": true }, "glob": { "version": "7.1.6", @@ -1301,6 +1332,7 @@ "version": "2.0.0", "resolved": "https://registry.npmjs.org/glob-parent/-/glob-parent-2.0.0.tgz", "integrity": "sha1-gTg9ctsFT8zPUzbaqQLxgvbtuyg=", + "optional": true, "requires": { "is-glob": "^2.0.0" } @@ -1333,6 +1365,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/has-value/-/has-value-1.0.0.tgz", "integrity": "sha1-GLKB2lhbHFxR3vJMkw7SmgvmsXc=", + "optional": true, "requires": { "get-value": "^2.0.6", "has-values": "^1.0.0", @@ -1342,7 +1375,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -1350,6 +1384,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/has-values/-/has-values-1.0.0.tgz", "integrity": "sha1-lbC2P+whRmGab+V/51Yo1aOe/k8=", + "optional": true, "requires": { "is-number": "^3.0.0", "kind-of": "^4.0.0" @@ -1359,6 +1394,7 @@ "version": "3.0.0", "resolved": "https://registry.npmjs.org/is-number/-/is-number-3.0.0.tgz", "integrity": "sha1-JP1iAaR4LPUFYcgQJ2r8fRLXEZU=", + "optional": true, "requires": { "kind-of": "^3.0.2" }, @@ -1367,6 +1403,7 @@ "version": "3.2.2", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-3.2.2.tgz", "integrity": "sha1-MeohpzS6ubuw8yRm2JOupR5KPGQ=", + "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1377,6 +1414,7 @@ "version": "4.0.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-4.0.0.tgz", "integrity": "sha1-IIE989cSkosgc3hpGkUGb65y3Vc=", + "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1418,6 +1456,7 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-0.1.6.tgz", "integrity": "sha1-qeEss66Nh2cn7u84Q/igiXtcmNY=", + "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1440,6 +1479,7 @@ "version": "0.1.4", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-0.1.4.tgz", "integrity": "sha1-C17mSDiOLIYCgueT8YVv7D8wG1Y=", + "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1448,6 +1488,7 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-0.1.6.tgz", "integrity": "sha512-avDYr0SB3DwO9zsMov0gKCESFYqCnE4hq/4z3TdUlukEy5t9C0YRq7HLrsN52NAcqXKaepeCD0n+B0arnVG3Hg==", + "optional": true, "requires": { "is-accessor-descriptor": "^0.1.6", "is-data-descriptor": "^0.1.4", @@ -1457,7 +1498,8 @@ "kind-of": { "version": "5.1.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-5.1.0.tgz", - "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==" + "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==", + "optional": true } } }, @@ -1479,7 +1521,8 @@ "is-extendable": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-0.1.1.tgz", - "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=" + "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=", + "optional": true }, "is-extglob": { "version": "1.0.0", @@ -1520,6 +1563,7 @@ "version": "2.0.4", "resolved": "https://registry.npmjs.org/is-plain-object/-/is-plain-object-2.0.4.tgz", "integrity": "sha512-h5PpgXkWitc38BBMYawTYMWJHFZJVnBquFE57xFpjB8pJFiF6gZ+bU+WyI/yqXiFR5mdLsgYNaPe8uao6Uv9Og==", + "optional": true, "requires": { "isobject": "^3.0.1" }, @@ -1527,7 +1571,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -1560,7 +1605,8 @@ "isarray": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/isarray/-/isarray-1.0.0.tgz", - "integrity": "sha1-u5NdSFgsuhaMBoNJV6VKPgcSTxE=" + "integrity": "sha1-u5NdSFgsuhaMBoNJV6VKPgcSTxE=", + "optional": true }, "isobject": { "version": "2.1.0", @@ -1651,6 +1697,7 @@ "version": "3.2.2", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-3.2.2.tgz", "integrity": "sha1-MeohpzS6ubuw8yRm2JOupR5KPGQ=", + "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1677,12 +1724,14 @@ "map-cache": { "version": "0.2.2", "resolved": "https://registry.npmjs.org/map-cache/-/map-cache-0.2.2.tgz", - "integrity": "sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=" + "integrity": "sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=", + "optional": true }, "map-visit": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/map-visit/-/map-visit-1.0.0.tgz", "integrity": "sha1-7Nyo8TFE5mDxtb1B8S80edmN+48=", + "optional": true, "requires": { "object-visit": "^1.0.0" } @@ -1746,6 +1795,7 @@ "version": "1.3.2", "resolved": "https://registry.npmjs.org/mixin-deep/-/mixin-deep-1.3.2.tgz", "integrity": "sha512-WRoDn//mXBiJ1H40rqa3vH0toePwSsGb45iInWlTySa+Uu4k3tYUSxa2v1KqAiLtvlrSzaExqS1gtk96A9zvEA==", + "optional": true, "requires": { "for-in": "^1.0.2", "is-extendable": "^1.0.1" @@ -1755,6 +1805,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-1.0.1.tgz", "integrity": "sha512-arnXMxT1hhoKo9k1LZdmlNyJdDDfy2v0fXjFlmok4+i8ul/6WlbVge9bhM74OpNPQPMGUToDtz+KXa1PneJxOA==", + "optional": true, "requires": { "is-plain-object": "^2.0.4" } @@ -1916,6 +1967,7 @@ "version": "2.1.1", "resolved": "https://registry.npmjs.org/normalize-path/-/normalize-path-2.1.1.tgz", "integrity": "sha1-GrKLVW4Zg2Oowab35vogE3/mrtk=", + "optional": true, "requires": { "remove-trailing-separator": "^1.0.1" } @@ -1929,6 +1981,7 @@ "version": "0.1.0", "resolved": "https://registry.npmjs.org/object-copy/-/object-copy-0.1.0.tgz", "integrity": "sha1-fn2Fi3gb18mRpBupde04EnVOmYw=", + "optional": true, "requires": { "copy-descriptor": "^0.1.0", "define-property": "^0.2.5", @@ -1939,6 +1992,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -1949,6 +2003,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/object-visit/-/object-visit-1.0.1.tgz", "integrity": "sha1-95xEk68MU3e1n+OdOV5BBC3QRbs=", + "optional": true, "requires": { "isobject": "^3.0.0" }, @@ -1956,7 +2011,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -1974,6 +2030,7 @@ "version": "1.3.0", "resolved": "https://registry.npmjs.org/object.pick/-/object.pick-1.3.0.tgz", "integrity": "sha1-h6EKxMFpS9Lhy/U1kaZhQftd10c=", + "optional": true, "requires": { "isobject": "^3.0.1" }, @@ -1981,7 +2038,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -2028,7 +2086,8 @@ "pascalcase": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/pascalcase/-/pascalcase-0.1.1.tgz", - "integrity": "sha1-s2PlXoAGym/iF4TS2yK9FdeRfxQ=" + "integrity": "sha1-s2PlXoAGym/iF4TS2yK9FdeRfxQ=", + "optional": true }, "path": { "version": "0.12.7", @@ -2142,7 +2201,8 @@ "array-unique": { "version": "0.3.2", "resolved": "https://registry.npmjs.org/array-unique/-/array-unique-0.3.2.tgz", - "integrity": "sha1-qJS3XUvE9s1nnvMkSp/Y9Gri1Cg=" + "integrity": "sha1-qJS3XUvE9s1nnvMkSp/Y9Gri1Cg=", + "optional": true }, "braces": { "version": "2.3.2", @@ -2382,7 +2442,8 @@ "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", + "optional": true }, "micromatch": { "version": "3.1.10", @@ -2440,6 +2501,7 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/regex-not/-/regex-not-1.0.2.tgz", "integrity": "sha512-J6SDjUgDxQj5NusnOtdFxDwN/+HWykR8GELwctJ7mdqhcyy1xEc4SRFHUXvxTp661YaVKAjfRLZ9cCqS6tn32A==", + "optional": true, "requires": { "extend-shallow": "^3.0.2", "safe-regex": "^1.1.0" @@ -2478,17 +2540,20 @@ "remove-trailing-separator": { "version": "1.1.0", "resolved": "https://registry.npmjs.org/remove-trailing-separator/-/remove-trailing-separator-1.1.0.tgz", - "integrity": "sha1-wkvOKig62tW8P1jg1IJJuSN52O8=" + "integrity": "sha1-wkvOKig62tW8P1jg1IJJuSN52O8=", + "optional": true }, "repeat-element": { "version": "1.1.3", "resolved": "https://registry.npmjs.org/repeat-element/-/repeat-element-1.1.3.tgz", - "integrity": "sha512-ahGq0ZnV5m5XtZLMb+vP76kcAM5nkLqk0lpqAuojSKGgQtn4eRi4ZZGm2olo2zKFH+sMsWaqOCW1dqAnOru72g==" + "integrity": "sha512-ahGq0ZnV5m5XtZLMb+vP76kcAM5nkLqk0lpqAuojSKGgQtn4eRi4ZZGm2olo2zKFH+sMsWaqOCW1dqAnOru72g==", + "optional": true }, "repeat-string": { "version": "1.6.1", "resolved": "https://registry.npmjs.org/repeat-string/-/repeat-string-1.6.1.tgz", - "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=" + "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=", + "optional": true }, "repeating": { "version": "2.0.1", @@ -2501,12 +2566,14 @@ "resolve-url": { "version": "0.2.1", "resolved": "https://registry.npmjs.org/resolve-url/-/resolve-url-0.2.1.tgz", - "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=" + "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=", + "optional": true }, "ret": { "version": "0.1.15", "resolved": "https://registry.npmjs.org/ret/-/ret-0.1.15.tgz", - "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==" + "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==", + "optional": true }, "rimraf": { "version": "2.7.1", @@ -2525,6 +2592,7 @@ "version": "1.1.0", "resolved": "https://registry.npmjs.org/safe-regex/-/safe-regex-1.1.0.tgz", "integrity": "sha1-QKNmnzsHfR6UPURinhV91IAjvy4=", + "optional": true, "requires": { "ret": "~0.1.10" } @@ -2538,6 +2606,7 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/set-value/-/set-value-2.0.1.tgz", "integrity": "sha512-JxHc1weCN68wRY0fhCoXpyK55m/XPHafOmK4UWD7m2CI14GMcFypt4w/0+NV5f/ZMby2F6S2wwA7fgynh9gWSw==", + "optional": true, "requires": { "extend-shallow": "^2.0.1", "is-extendable": "^0.1.1", @@ -2549,6 +2618,7 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-2.0.1.tgz", "integrity": "sha1-Ua99YUrZqfYQ6huvu5idaxxWiQ8=", + "optional": true, "requires": { "is-extendable": "^0.1.0" } @@ -2570,6 +2640,7 @@ "version": "0.8.2", "resolved": "https://registry.npmjs.org/snapdragon/-/snapdragon-0.8.2.tgz", "integrity": "sha512-FtyOnWN/wCHTVXOMwvSv26d+ko5vWlIDD6zoUJ7LW8vh+ZBC8QdljveRP+crNrtBwioEUWy/4dMtbBjA4ioNlg==", + "optional": true, "requires": { "base": "^0.11.1", "debug": "^2.2.0", @@ -2585,6 +2656,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2593,6 +2665,7 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-2.0.1.tgz", "integrity": "sha1-Ua99YUrZqfYQ6huvu5idaxxWiQ8=", + "optional": true, "requires": { "is-extendable": "^0.1.0" } @@ -2657,7 +2730,8 @@ "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", + "optional": true } } }, @@ -2679,6 +2753,7 @@ "version": "0.5.3", "resolved": "https://registry.npmjs.org/source-map-resolve/-/source-map-resolve-0.5.3.tgz", "integrity": "sha512-Htz+RnsXWk5+P2slx5Jh3Q66vhQj1Cllm0zvnaY98+NFx+Dv2CF/f5O/t8x+KaNdrdIAsruNzoh/KpialbqAnw==", + "optional": true, "requires": { "atob": "^2.1.2", "decode-uri-component": "^0.2.0", @@ -2698,12 +2773,14 @@ "source-map-url": { "version": "0.4.0", "resolved": "https://registry.npmjs.org/source-map-url/-/source-map-url-0.4.0.tgz", - "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=" + "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=", + "optional": true }, "split-string": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/split-string/-/split-string-3.1.0.tgz", "integrity": "sha512-NzNVhJDYpwceVVii8/Hu6DKfD2G+NrQHlS/V/qgv763EYudVwEcMQNxd2lh+0VrUByXN/oJkl5grOhYWvQUYiw==", + "optional": true, "requires": { "extend-shallow": "^3.0.0" } @@ -2717,6 +2794,7 @@ "version": "0.1.2", "resolved": "https://registry.npmjs.org/static-extend/-/static-extend-0.1.2.tgz", "integrity": "sha1-YICcOcv/VTNyJv1eC1IPNB8ftcY=", + "optional": true, "requires": { "define-property": "^0.2.5", "object-copy": "^0.1.0" @@ -2726,6 +2804,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2769,6 +2848,7 @@ "version": "0.3.0", "resolved": "https://registry.npmjs.org/to-object-path/-/to-object-path-0.3.0.tgz", "integrity": "sha1-KXWIt7Dn4KwI4E5nL4XB9JmeF68=", + "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -2777,6 +2857,7 @@ "version": "3.0.2", "resolved": "https://registry.npmjs.org/to-regex/-/to-regex-3.0.2.tgz", "integrity": "sha512-FWtleNAtZ/Ki2qtqej2CXTOayOH9bHDQF+Q48VpWyDXjbYxA4Yz8iDB31zXOBUlOHHKidDbqGVrTUvQMPmBGBw==", + "optional": true, "requires": { "define-property": "^2.0.2", "extend-shallow": "^3.0.2", @@ -2825,6 +2906,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/union-value/-/union-value-1.0.1.tgz", "integrity": "sha512-tJfXmxMeWYnczCVs7XAEvIV7ieppALdyepWMkHkwciRpZraG/xwT+s2JN8+pr1+8jCRf80FFzvr+MpQeeoF4Xg==", + "optional": true, "requires": { "arr-union": "^3.1.0", "get-value": "^2.0.6", @@ -2841,6 +2923,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/unset-value/-/unset-value-1.0.0.tgz", "integrity": "sha1-g3aHP30jNRef+x5vw6jtDfyKtVk=", + "optional": true, "requires": { "has-value": "^0.3.1", "isobject": "^3.0.0" @@ -2850,6 +2933,7 @@ "version": "0.3.1", "resolved": "https://registry.npmjs.org/has-value/-/has-value-0.3.1.tgz", "integrity": "sha1-ex9YutpiyoJ+wKIHgCVlSEWZXh8=", + "optional": true, "requires": { "get-value": "^2.0.3", "has-values": "^0.1.4", @@ -2860,6 +2944,7 @@ "version": "2.1.0", "resolved": "https://registry.npmjs.org/isobject/-/isobject-2.1.0.tgz", "integrity": "sha1-8GVWEJaj8dou9GJy+BXIQNh+DIk=", + "optional": true, "requires": { "isarray": "1.0.0" } @@ -2869,24 +2954,28 @@ "has-values": { "version": "0.1.4", "resolved": "https://registry.npmjs.org/has-values/-/has-values-0.1.4.tgz", - "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=" + "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=", + "optional": true }, "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, "urix": { "version": "0.1.0", "resolved": "https://registry.npmjs.org/urix/-/urix-0.1.0.tgz", - "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=" + "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=", + "optional": true }, "use": { "version": "3.1.1", "resolved": "https://registry.npmjs.org/use/-/use-3.1.1.tgz", - "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==" + "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==", + "optional": true }, "user-home": { "version": "1.1.1", diff --git a/schema/properties_directory/derived_properties.json b/schema/properties_directory/derived_properties.json index 1417b5293..2f667fb2c 100644 --- a/schema/properties_directory/derived_properties.json +++ b/schema/properties_directory/derived_properties.json @@ -25,6 +25,9 @@ }, { "$ref": "structural/inchi_key.json" + }, + { + "$ref": "structural/molecular_weight.json" } ] } From 7aef525f98e526ad44ca8a3aadf90e8d676b3a0d Mon Sep 17 00:00:00 2001 From: adewyer Date: Mon, 3 Jan 2022 16:58:49 -0500 Subject: [PATCH 02/12] Feat: added molecular weight to derived properties --- example/material.json | 3 ++- .../structural/molecular_weight.json | 5 ++++ manifest/properties.yaml | 3 +++ .../structural/molecular_weight.json | 23 +++++++++++++++++++ 4 files changed, 33 insertions(+), 1 deletion(-) create mode 100644 example/properties_directory/structural/molecular_weight.json create mode 100644 schema/properties_directory/structural/molecular_weight.json diff --git a/example/material.json b/example/material.json index 4a889f274..9dcb3fca3 100644 --- a/example/material.json +++ b/example/material.json @@ -75,7 +75,8 @@ }, { "name": "molecular_weight", - "value": 0 + "value": 0, + "units":"g/mol" } ], "exabyteId": "RKiswuxHKkF3uvLyA", diff --git a/example/properties_directory/structural/molecular_weight.json b/example/properties_directory/structural/molecular_weight.json new file mode 100644 index 000000000..da08b8cde --- /dev/null +++ b/example/properties_directory/structural/molecular_weight.json @@ -0,0 +1,5 @@ +{ + "name": "molecular_weight", + "value": 16.0313, + "units": "g/mol" +} diff --git a/manifest/properties.yaml b/manifest/properties.yaml index a339ea013..d36f85e0a 100644 --- a/manifest/properties.yaml +++ b/manifest/properties.yaml @@ -235,5 +235,8 @@ inchi: inchi_key: schemaId: properties-directory-structural-inchi_key +molecular_weight: + schemaId: properties-directory-structural-molecular-weight + material: schemaId: material diff --git a/schema/properties_directory/structural/molecular_weight.json b/schema/properties_directory/structural/molecular_weight.json new file mode 100644 index 000000000..831108521 --- /dev/null +++ b/schema/properties_directory/structural/molecular_weight.json @@ -0,0 +1,23 @@ +{ + "schemaId": "properties-directory-structural-molecular-weight", + "$schema": "http://json-schema.org/draft-04/schema#", + "title": "molecular-weight schema", + "allOf": [ + { + "$ref": "../../core/primitive/scalar.json" + } + ], + "properties": { + "name": { + "enum": [ + "molecular_weight" + ] + }, + "units": { + "enum": [ + "g/mol" + ] + } + } +} + From 703f9ae7db46c0a8d5b26cbe17cf1421e30c1d3d Mon Sep 17 00:00:00 2001 From: adewyer Date: Tue, 4 Jan 2022 11:03:32 -0500 Subject: [PATCH 03/12] revert package-lock.json to dev branch version --- package-lock.json | 165 +++++++++++----------------------------------- 1 file changed, 38 insertions(+), 127 deletions(-) diff --git a/package-lock.json b/package-lock.json index d0f3ccadd..a4f6f3971 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1,6 +1,6 @@ { "name": "@exabyte-io/esse.js", - "version": "2021.05.06", + "version": "2020.10.19.2", "lockfileVersion": 1, "requires": true, "dependencies": { @@ -53,14 +53,12 @@ "arr-flatten": { "version": "1.1.0", "resolved": "https://registry.npmjs.org/arr-flatten/-/arr-flatten-1.1.0.tgz", - "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==", - "optional": true + "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==" }, "arr-union": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/arr-union/-/arr-union-3.1.0.tgz", - "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=", - "optional": true + "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=" }, "array-unique": { "version": "0.2.1", @@ -77,8 +75,7 @@ "assign-symbols": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/assign-symbols/-/assign-symbols-1.0.0.tgz", - "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=", - "optional": true + "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=" }, "async": { "version": "3.2.0", @@ -94,8 +91,7 @@ "atob": { "version": "2.1.2", "resolved": "https://registry.npmjs.org/atob/-/atob-2.1.2.tgz", - "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==", - "optional": true + "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==" }, "babel-cli": { "version": "6.26.0", @@ -758,7 +754,6 @@ "version": "0.11.2", "resolved": "https://registry.npmjs.org/base/-/base-0.11.2.tgz", "integrity": "sha512-5T6P4xPgpp0YDFvSWwEZ4NoE3aM4QBQXDzmVbraCkFj8zHM+mba8SyqB5DbZWyR7mYHo6Y7BdQo3MoA4m0TeQg==", - "optional": true, "requires": { "cache-base": "^1.0.1", "class-utils": "^0.3.5", @@ -773,7 +768,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/define-property/-/define-property-1.0.0.tgz", "integrity": "sha1-dp66rz9KY6rTr56NMEybvnm/sOY=", - "optional": true, "requires": { "is-descriptor": "^1.0.0" } @@ -782,7 +776,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-1.0.0.tgz", "integrity": "sha512-m5hnHTkcVsPfqx3AKlyttIPb7J+XykHvJP2B9bZDjlhLIoEq4XoK64Vg7boZlVWYK6LUY94dYPEE7Lh0ZkZKcQ==", - "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -791,7 +784,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-1.0.0.tgz", "integrity": "sha512-jbRXy1FmtAoCjQkVmIVYwuuqDFUbaOeDjmed1tOGPrsMhtJA4rD9tkgA0F1qJ3gRFRXcHYVkdeaP50Q5rE/jLQ==", - "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -800,7 +792,6 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-1.0.2.tgz", "integrity": 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} @@ -964,8 +949,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -983,7 +967,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/collection-visit/-/collection-visit-1.0.0.tgz", "integrity": "sha1-S8A3PBZLwykbTTaMgpzxqApZ3KA=", - "optional": true, "requires": { "map-visit": "^1.0.0", "object-visit": "^1.0.0" @@ -1003,8 +986,7 @@ "component-emitter": { "version": "1.3.0", "resolved": "https://registry.npmjs.org/component-emitter/-/component-emitter-1.3.0.tgz", - "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==", - "optional": true + "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==" }, "concat-map": { "version": "0.0.1", @@ -1022,8 +1004,7 @@ "copy-descriptor": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/copy-descriptor/-/copy-descriptor-0.1.1.tgz", - "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=", - "optional": true + "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=" }, "core-js": { "version": "2.6.11", @@ -1057,8 +1038,7 @@ "decode-uri-component": { "version": "0.2.0", "resolved": "https://registry.npmjs.org/decode-uri-component/-/decode-uri-component-0.2.0.tgz", - "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=", - "optional": true + "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=" }, "deep-eql": { "version": "0.1.3", @@ -1081,7 +1061,6 @@ "version": "2.0.2", "resolved": "https://registry.npmjs.org/define-property/-/define-property-2.0.2.tgz", "integrity": "sha512-jwK2UV4cnPpbcG7+VRARKTZPUWowwXA8bzH5NP6ud0oeAxyYPuGZUAC7hMugpCdz4BeSZl2Dl9k66CHJ/46ZYQ==", - "optional": true, "requires": { "is-descriptor": "^1.0.2", "isobject": "^3.0.1" @@ -1091,7 +1070,6 @@ "version": "1.0.0", "resolved": 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"https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" }, "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", - "optional": true + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" } } }, @@ -1181,7 +1155,6 @@ "version": "3.0.2", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-3.0.2.tgz", "integrity": "sha1-Jqcarwc7OfshJxcnRhMcJwQCjbg=", - "optional": true, "requires": { "assign-symbols": "^1.0.0", "is-extendable": "^1.0.1" @@ -1191,7 +1164,6 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-1.0.1.tgz", "integrity": "sha512-arnXMxT1hhoKo9k1LZdmlNyJdDDfy2v0fXjFlmok4+i8ul/6WlbVge9bhM74OpNPQPMGUToDtz+KXa1PneJxOA==", - "optional": true, "requires": { "is-plain-object": "^2.0.4" } @@ -1240,8 +1212,7 @@ "for-in": { "version": "1.0.2", "resolved": "https://registry.npmjs.org/for-in/-/for-in-1.0.2.tgz", - "integrity": "sha1-gQaNKVqBQuwKxybG4iAMMPttXoA=", - "optional": true + "integrity": "sha1-gQaNKVqBQuwKxybG4iAMMPttXoA=" }, "for-own": { "version": "0.1.5", @@ -1256,7 +1227,6 @@ "version": "0.2.1", "resolved": "https://registry.npmjs.org/fragment-cache/-/fragment-cache-0.2.1.tgz", "integrity": "sha1-QpD60n8T6Jvn8zeZxrxaCr//DRk=", - "optional": true, "requires": { "map-cache": "^0.2.2" } @@ -1302,8 +1272,7 @@ "get-value": { "version": "2.0.6", "resolved": "https://registry.npmjs.org/get-value/-/get-value-2.0.6.tgz", - "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=", - "optional": true + "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=" }, "glob": { "version": "7.1.6", @@ -1332,7 +1301,6 @@ "version": 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"https://registry.npmjs.org/is-number/-/is-number-3.0.0.tgz", "integrity": "sha1-JP1iAaR4LPUFYcgQJ2r8fRLXEZU=", - "optional": true, "requires": { "kind-of": "^3.0.2" }, @@ -1403,7 +1367,6 @@ "version": "3.2.2", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-3.2.2.tgz", "integrity": "sha1-MeohpzS6ubuw8yRm2JOupR5KPGQ=", - "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1414,7 +1377,6 @@ "version": "4.0.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-4.0.0.tgz", "integrity": "sha1-IIE989cSkosgc3hpGkUGb65y3Vc=", - "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1456,7 +1418,6 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-0.1.6.tgz", "integrity": "sha1-qeEss66Nh2cn7u84Q/igiXtcmNY=", - "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1479,7 +1440,6 @@ "version": "0.1.4", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-0.1.4.tgz", "integrity": "sha1-C17mSDiOLIYCgueT8YVv7D8wG1Y=", - "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1488,7 +1448,6 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-0.1.6.tgz", "integrity": "sha512-avDYr0SB3DwO9zsMov0gKCESFYqCnE4hq/4z3TdUlukEy5t9C0YRq7HLrsN52NAcqXKaepeCD0n+B0arnVG3Hg==", - "optional": true, "requires": { "is-accessor-descriptor": "^0.1.6", "is-data-descriptor": "^0.1.4", @@ -1498,8 +1457,7 @@ "kind-of": { "version": "5.1.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-5.1.0.tgz", - "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==", - "optional": true + "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==" } } }, @@ -1521,8 +1479,7 @@ "is-extendable": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-0.1.1.tgz", - "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=", - "optional": true + "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=" }, "is-extglob": { "version": "1.0.0", @@ -1563,7 +1520,6 @@ "version": "2.0.4", "resolved": "https://registry.npmjs.org/is-plain-object/-/is-plain-object-2.0.4.tgz", "integrity": "sha512-h5PpgXkWitc38BBMYawTYMWJHFZJVnBquFE57xFpjB8pJFiF6gZ+bU+WyI/yqXiFR5mdLsgYNaPe8uao6Uv9Og==", - "optional": true, "requires": { "isobject": "^3.0.1" }, @@ -1571,8 +1527,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -1605,8 +1560,7 @@ "isarray": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/isarray/-/isarray-1.0.0.tgz", - "integrity": "sha1-u5NdSFgsuhaMBoNJV6VKPgcSTxE=", - "optional": true + "integrity": "sha1-u5NdSFgsuhaMBoNJV6VKPgcSTxE=" }, "isobject": { "version": "2.1.0", @@ -1697,7 +1651,6 @@ "version": "3.2.2", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-3.2.2.tgz", "integrity": "sha1-MeohpzS6ubuw8yRm2JOupR5KPGQ=", - "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1724,14 +1677,12 @@ "map-cache": { "version": "0.2.2", "resolved": "https://registry.npmjs.org/map-cache/-/map-cache-0.2.2.tgz", - "integrity": "sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=", - "optional": true + "integrity": "sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=" }, "map-visit": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/map-visit/-/map-visit-1.0.0.tgz", "integrity": "sha1-7Nyo8TFE5mDxtb1B8S80edmN+48=", - "optional": true, "requires": { "object-visit": "^1.0.0" } @@ -1795,7 +1746,6 @@ "version": "1.3.2", "resolved": "https://registry.npmjs.org/mixin-deep/-/mixin-deep-1.3.2.tgz", "integrity": "sha512-WRoDn//mXBiJ1H40rqa3vH0toePwSsGb45iInWlTySa+Uu4k3tYUSxa2v1KqAiLtvlrSzaExqS1gtk96A9zvEA==", - "optional": true, "requires": { "for-in": "^1.0.2", "is-extendable": "^1.0.1" @@ -1805,7 +1755,6 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-1.0.1.tgz", "integrity": "sha512-arnXMxT1hhoKo9k1LZdmlNyJdDDfy2v0fXjFlmok4+i8ul/6WlbVge9bhM74OpNPQPMGUToDtz+KXa1PneJxOA==", - "optional": true, "requires": { "is-plain-object": "^2.0.4" } @@ -1967,7 +1916,6 @@ "version": "2.1.1", "resolved": "https://registry.npmjs.org/normalize-path/-/normalize-path-2.1.1.tgz", "integrity": "sha1-GrKLVW4Zg2Oowab35vogE3/mrtk=", - "optional": true, "requires": { "remove-trailing-separator": "^1.0.1" } @@ -1981,7 +1929,6 @@ "version": "0.1.0", "resolved": "https://registry.npmjs.org/object-copy/-/object-copy-0.1.0.tgz", "integrity": "sha1-fn2Fi3gb18mRpBupde04EnVOmYw=", - "optional": true, "requires": { "copy-descriptor": "^0.1.0", "define-property": "^0.2.5", @@ -1992,7 +1939,6 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", - "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2003,7 +1949,6 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/object-visit/-/object-visit-1.0.1.tgz", "integrity": "sha1-95xEk68MU3e1n+OdOV5BBC3QRbs=", - "optional": true, "requires": { "isobject": "^3.0.0" }, @@ -2011,8 +1956,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -2030,7 +1974,6 @@ "version": "1.3.0", "resolved": "https://registry.npmjs.org/object.pick/-/object.pick-1.3.0.tgz", "integrity": "sha1-h6EKxMFpS9Lhy/U1kaZhQftd10c=", - "optional": true, "requires": { "isobject": "^3.0.1" }, @@ -2038,8 +1981,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": 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"sha512-ahGq0ZnV5m5XtZLMb+vP76kcAM5nkLqk0lpqAuojSKGgQtn4eRi4ZZGm2olo2zKFH+sMsWaqOCW1dqAnOru72g==" }, "repeat-string": { "version": "1.6.1", "resolved": "https://registry.npmjs.org/repeat-string/-/repeat-string-1.6.1.tgz", - "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=", - "optional": true + "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=" }, "repeating": { "version": "2.0.1", @@ -2566,14 +2501,12 @@ "resolve-url": { "version": "0.2.1", "resolved": "https://registry.npmjs.org/resolve-url/-/resolve-url-0.2.1.tgz", - "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=", - "optional": true + "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=" }, "ret": { "version": "0.1.15", "resolved": "https://registry.npmjs.org/ret/-/ret-0.1.15.tgz", - "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==", - "optional": true + "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==" }, "rimraf": { "version": "2.7.1", @@ -2592,7 +2525,6 @@ "version": "1.1.0", "resolved": "https://registry.npmjs.org/safe-regex/-/safe-regex-1.1.0.tgz", "integrity": "sha1-QKNmnzsHfR6UPURinhV91IAjvy4=", - "optional": true, "requires": { "ret": "~0.1.10" } @@ -2606,7 +2538,6 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/set-value/-/set-value-2.0.1.tgz", "integrity": "sha512-JxHc1weCN68wRY0fhCoXpyK55m/XPHafOmK4UWD7m2CI14GMcFypt4w/0+NV5f/ZMby2F6S2wwA7fgynh9gWSw==", - "optional": true, "requires": { "extend-shallow": "^2.0.1", "is-extendable": "^0.1.1", @@ -2618,7 +2549,6 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-2.0.1.tgz", "integrity": "sha1-Ua99YUrZqfYQ6huvu5idaxxWiQ8=", - "optional": true, "requires": { "is-extendable": "^0.1.0" } @@ -2640,7 +2570,6 @@ "version": "0.8.2", "resolved": "https://registry.npmjs.org/snapdragon/-/snapdragon-0.8.2.tgz", "integrity": "sha512-FtyOnWN/wCHTVXOMwvSv26d+ko5vWlIDD6zoUJ7LW8vh+ZBC8QdljveRP+crNrtBwioEUWy/4dMtbBjA4ioNlg==", - "optional": true, "requires": { "base": "^0.11.1", "debug": "^2.2.0", @@ -2656,7 +2585,6 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", - "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2665,7 +2593,6 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-2.0.1.tgz", "integrity": "sha1-Ua99YUrZqfYQ6huvu5idaxxWiQ8=", - "optional": true, "requires": { "is-extendable": "^0.1.0" } @@ -2730,8 +2657,7 @@ "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", - "optional": true + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" } } }, @@ -2753,7 +2679,6 @@ "version": "0.5.3", "resolved": "https://registry.npmjs.org/source-map-resolve/-/source-map-resolve-0.5.3.tgz", "integrity": "sha512-Htz+RnsXWk5+P2slx5Jh3Q66vhQj1Cllm0zvnaY98+NFx+Dv2CF/f5O/t8x+KaNdrdIAsruNzoh/KpialbqAnw==", - "optional": true, "requires": { "atob": "^2.1.2", "decode-uri-component": "^0.2.0", @@ -2773,14 +2698,12 @@ "source-map-url": { "version": "0.4.0", "resolved": "https://registry.npmjs.org/source-map-url/-/source-map-url-0.4.0.tgz", - "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=", - "optional": true + "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=" }, "split-string": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/split-string/-/split-string-3.1.0.tgz", "integrity": "sha512-NzNVhJDYpwceVVii8/Hu6DKfD2G+NrQHlS/V/qgv763EYudVwEcMQNxd2lh+0VrUByXN/oJkl5grOhYWvQUYiw==", - "optional": true, "requires": { "extend-shallow": "^3.0.0" } @@ -2794,7 +2717,6 @@ "version": "0.1.2", "resolved": "https://registry.npmjs.org/static-extend/-/static-extend-0.1.2.tgz", "integrity": "sha1-YICcOcv/VTNyJv1eC1IPNB8ftcY=", - "optional": true, "requires": { "define-property": "^0.2.5", "object-copy": "^0.1.0" @@ -2804,7 +2726,6 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", - "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2848,7 +2769,6 @@ "version": "0.3.0", "resolved": "https://registry.npmjs.org/to-object-path/-/to-object-path-0.3.0.tgz", "integrity": "sha1-KXWIt7Dn4KwI4E5nL4XB9JmeF68=", - "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -2857,7 +2777,6 @@ "version": "3.0.2", "resolved": "https://registry.npmjs.org/to-regex/-/to-regex-3.0.2.tgz", "integrity": "sha512-FWtleNAtZ/Ki2qtqej2CXTOayOH9bHDQF+Q48VpWyDXjbYxA4Yz8iDB31zXOBUlOHHKidDbqGVrTUvQMPmBGBw==", - "optional": true, "requires": { "define-property": "^2.0.2", "extend-shallow": "^3.0.2", @@ -2906,7 +2825,6 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/union-value/-/union-value-1.0.1.tgz", "integrity": "sha512-tJfXmxMeWYnczCVs7XAEvIV7ieppALdyepWMkHkwciRpZraG/xwT+s2JN8+pr1+8jCRf80FFzvr+MpQeeoF4Xg==", - "optional": true, "requires": { "arr-union": "^3.1.0", "get-value": "^2.0.6", @@ -2923,7 +2841,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/unset-value/-/unset-value-1.0.0.tgz", "integrity": "sha1-g3aHP30jNRef+x5vw6jtDfyKtVk=", - "optional": true, "requires": { "has-value": "^0.3.1", "isobject": "^3.0.0" @@ -2933,7 +2850,6 @@ "version": "0.3.1", "resolved": "https://registry.npmjs.org/has-value/-/has-value-0.3.1.tgz", "integrity": "sha1-ex9YutpiyoJ+wKIHgCVlSEWZXh8=", - "optional": true, "requires": { "get-value": "^2.0.3", "has-values": "^0.1.4", @@ -2944,7 +2860,6 @@ "version": "2.1.0", "resolved": "https://registry.npmjs.org/isobject/-/isobject-2.1.0.tgz", "integrity": "sha1-8GVWEJaj8dou9GJy+BXIQNh+DIk=", - "optional": true, "requires": { "isarray": "1.0.0" } @@ -2954,28 +2869,24 @@ "has-values": { "version": "0.1.4", "resolved": "https://registry.npmjs.org/has-values/-/has-values-0.1.4.tgz", - "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=", - "optional": true + "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=" }, "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, "urix": { "version": "0.1.0", "resolved": "https://registry.npmjs.org/urix/-/urix-0.1.0.tgz", - "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=", - "optional": true + "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=" }, "use": { "version": "3.1.1", "resolved": "https://registry.npmjs.org/use/-/use-3.1.1.tgz", - "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==", - "optional": true + "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==" }, "user-home": { "version": "1.1.1", From 0e7501d4eb7b4d5a72c7438bcac04b18670501f8 Mon Sep 17 00:00:00 2001 From: adewyer Date: Fri, 7 Jan 2022 14:09:13 -0800 Subject: [PATCH 04/12] space group and molecular weight for derived properties updated based on PR comments --- example/material.json | 15 +--- example/molecule.json | 113 +++++++++++++++++++++++++++++ package-lock.json | 165 ++++++++++++++++++++++++++++++++---------- schema/molecule.json | 11 +++ 4 files changed, 252 insertions(+), 52 deletions(-) create mode 100644 example/molecule.json create mode 100644 schema/molecule.json diff --git a/example/material.json b/example/material.json index 9dcb3fca3..545c6b676 100644 --- a/example/material.json +++ b/example/material.json @@ -63,20 +63,7 @@ { "element": "Si", "name": "elemental_ratio", - "value": 0.71 - }, - { - "name": "inchi", - "value": "" - }, - { - "name": "inchi_key", - "value": "" - }, - { - "name": "molecular_weight", - "value": 0, - "units":"g/mol" + "value": 1.0 } ], "exabyteId": "RKiswuxHKkF3uvLyA", diff --git a/example/molecule.json b/example/molecule.json new file mode 100644 index 000000000..3a77dd96e --- /dev/null +++ b/example/molecule.json @@ -0,0 +1,113 @@ +{ + "_id": "LCthJ6E2QabYCZqf3", + "basis": { + "coordinates": [ + { + "id": 1, + "value": [ + 2.500000, + 2.500000, + 2.833300 + ] + }, + { + "id": 2, + "value": [ + 2.500000, + 1.250000, + 2.333300 + ] + }, + { + "id": 3, + "value": [ + 2.500000, + 3.750000, + 2.333300 + ] + } + ], + "elements": [ + { + "id": 1, + "value": "S" + }, + { + "id": 2, + "value": "H" + }, + { + "id": 3, + "value": "H" + } + ], + "name": "basis", + "units": "cartesian" + }, + "createdAt": "2016-04-03T05:25:37.430Z", + "creator": { + "...": "include(system/creator.json)" + }, + "derivedProperties": [ + { + "name": "symmetry", + "pointGroupSymbol": "C2v", + "tolerance": { + "units": "angstrom", + "value": 0.3 + } + }, + { + "degree": 10, + "name": "p-norm", + "value": 0.6667 + }, + { + "element": "S", + "name": "elemental_ratio", + "value": 0.333333 + }, + { + "element": "H", + "name": "elemental_ratio", + "value": 0.666667 + }, + { + "name": "inchi", + "value": "1S/H2S/h1H2" + }, + { + "name": "inchi_key", + "value": "RWSOTUBLDIXVET-UHFFFAOYSA-N" + }, + { + "name": "molecular_weight", + "value": 33.988, + "units":"g/mol" + } + ], + "exabyteId": "RKiswuxHKkF3uvLyA", + "formula": "H2S", + "hash": "2ac7003120b82283f6199386d3ec2a3f", + "isDefault": false, + "isNonPeriodic": true, + "lattice": { + "a": 5.0, + "alpha": 90.0, + "b": 5.0, + "beta": 90.0, + "c": 5.0, + "gamma": 90.0, + "name": "lattice", + "type": "CUB" + }, + "name": "H2S-Non-Periodic", + "owner": { + "...": "include(system/owner.json)" + }, + "scaledHash": "659b47a160a06035fd8276ddcedbfac4", + "schemaVersion": "0.2.0", + "slug": "hydrogen-sulfide", + "unitCellFormula": "H2S", + "updatedAt": "2016-04-04T17:58:42.867Z" +} diff --git a/package-lock.json b/package-lock.json index a4f6f3971..d0f3ccadd 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1,6 +1,6 @@ { "name": "@exabyte-io/esse.js", - "version": "2020.10.19.2", + "version": "2021.05.06", "lockfileVersion": 1, "requires": true, "dependencies": { @@ -53,12 +53,14 @@ "arr-flatten": { "version": "1.1.0", "resolved": "https://registry.npmjs.org/arr-flatten/-/arr-flatten-1.1.0.tgz", - "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==" + "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==", + "optional": true }, "arr-union": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/arr-union/-/arr-union-3.1.0.tgz", - "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=" + "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=", + "optional": true }, "array-unique": { "version": "0.2.1", @@ -75,7 +77,8 @@ "assign-symbols": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/assign-symbols/-/assign-symbols-1.0.0.tgz", - "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=" + "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=", + "optional": true }, "async": { "version": "3.2.0", @@ -91,7 +94,8 @@ "atob": { "version": "2.1.2", "resolved": "https://registry.npmjs.org/atob/-/atob-2.1.2.tgz", - "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==" + "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==", + "optional": true }, "babel-cli": { "version": "6.26.0", @@ -754,6 +758,7 @@ "version": "0.11.2", "resolved": "https://registry.npmjs.org/base/-/base-0.11.2.tgz", "integrity": 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"requires": { "kind-of": "^6.0.0" } @@ -792,6 +800,7 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-1.0.2.tgz", "integrity": "sha512-2eis5WqQGV7peooDyLmNEPUrps9+SXX5c9pL3xEB+4e9HnGuDa7mB7kHxHw4CbqS9k1T2hOH3miL8n8WtiYVtg==", + "optional": true, "requires": { "is-accessor-descriptor": "^1.0.0", "is-data-descriptor": "^1.0.0", @@ -801,12 +810,14 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true }, "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", + "optional": true } } }, @@ -858,6 +869,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/cache-base/-/cache-base-1.0.1.tgz", "integrity": "sha512-AKcdTnFSWATd5/GCPRxr2ChwIJ85CeyrEyjRHlKxQ56d4XJMGym0uAiKn0xbLOGOl3+yRpOTi484dVCEc5AUzQ==", + "optional": true, "requires": { "collection-visit": "^1.0.0", "component-emitter": "^1.2.1", @@ -873,7 +885,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -931,6 +944,7 @@ "version": "0.3.6", "resolved": "https://registry.npmjs.org/class-utils/-/class-utils-0.3.6.tgz", "integrity": "sha512-qOhPa/Fj7s6TY8H8esGu5QNpMMQxz79h+urzrNYN6mn+9BnxlDGf5QZ+XeCDsxSjPqsSR56XOZOJmpeurnLMeg==", + "optional": true, "requires": { "arr-union": "^3.1.0", "define-property": "^0.2.5", @@ -942,6 +956,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -949,7 +964,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -967,6 +983,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/collection-visit/-/collection-visit-1.0.0.tgz", "integrity": "sha1-S8A3PBZLwykbTTaMgpzxqApZ3KA=", + "optional": true, "requires": { "map-visit": "^1.0.0", "object-visit": "^1.0.0" @@ -986,7 +1003,8 @@ "component-emitter": { "version": "1.3.0", "resolved": "https://registry.npmjs.org/component-emitter/-/component-emitter-1.3.0.tgz", - "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==" + "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==", + "optional": true }, "concat-map": { "version": "0.0.1", @@ -1004,7 +1022,8 @@ "copy-descriptor": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/copy-descriptor/-/copy-descriptor-0.1.1.tgz", - "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=" + "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=", + "optional": true }, "core-js": { "version": "2.6.11", @@ -1038,7 +1057,8 @@ "decode-uri-component": { "version": "0.2.0", "resolved": "https://registry.npmjs.org/decode-uri-component/-/decode-uri-component-0.2.0.tgz", - "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=" + "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=", + "optional": true }, "deep-eql": { "version": "0.1.3", @@ -1061,6 +1081,7 @@ "version": "2.0.2", "resolved": "https://registry.npmjs.org/define-property/-/define-property-2.0.2.tgz", "integrity": "sha512-jwK2UV4cnPpbcG7+VRARKTZPUWowwXA8bzH5NP6ud0oeAxyYPuGZUAC7hMugpCdz4BeSZl2Dl9k66CHJ/46ZYQ==", + "optional": true, "requires": { "is-descriptor": "^1.0.2", "isobject": "^3.0.1" @@ -1070,6 +1091,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-1.0.0.tgz", "integrity": "sha512-m5hnHTkcVsPfqx3AKlyttIPb7J+XykHvJP2B9bZDjlhLIoEq4XoK64Vg7boZlVWYK6LUY94dYPEE7Lh0ZkZKcQ==", + "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -1078,6 +1100,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-1.0.0.tgz", "integrity": "sha512-jbRXy1FmtAoCjQkVmIVYwuuqDFUbaOeDjmed1tOGPrsMhtJA4rD9tkgA0F1qJ3gRFRXcHYVkdeaP50Q5rE/jLQ==", + "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -1086,6 +1109,7 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-1.0.2.tgz", "integrity": "sha512-2eis5WqQGV7peooDyLmNEPUrps9+SXX5c9pL3xEB+4e9HnGuDa7mB7kHxHw4CbqS9k1T2hOH3miL8n8WtiYVtg==", + "optional": true, "requires": { "is-accessor-descriptor": "^1.0.0", "is-data-descriptor": "^1.0.0", @@ -1095,12 +1119,14 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true }, "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", + "optional": true } } }, @@ -1155,6 +1181,7 @@ "version": "3.0.2", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-3.0.2.tgz", "integrity": "sha1-Jqcarwc7OfshJxcnRhMcJwQCjbg=", + "optional": true, "requires": { "assign-symbols": "^1.0.0", "is-extendable": "^1.0.1" @@ -1164,6 +1191,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-1.0.1.tgz", "integrity": "sha512-arnXMxT1hhoKo9k1LZdmlNyJdDDfy2v0fXjFlmok4+i8ul/6WlbVge9bhM74OpNPQPMGUToDtz+KXa1PneJxOA==", + "optional": true, "requires": { "is-plain-object": "^2.0.4" } @@ -1212,7 +1240,8 @@ "for-in": { "version": "1.0.2", "resolved": "https://registry.npmjs.org/for-in/-/for-in-1.0.2.tgz", - "integrity": "sha1-gQaNKVqBQuwKxybG4iAMMPttXoA=" + "integrity": "sha1-gQaNKVqBQuwKxybG4iAMMPttXoA=", + "optional": true }, "for-own": { "version": "0.1.5", @@ -1227,6 +1256,7 @@ "version": "0.2.1", "resolved": "https://registry.npmjs.org/fragment-cache/-/fragment-cache-0.2.1.tgz", "integrity": "sha1-QpD60n8T6Jvn8zeZxrxaCr//DRk=", + "optional": true, "requires": { "map-cache": "^0.2.2" } @@ -1272,7 +1302,8 @@ "get-value": { "version": "2.0.6", "resolved": "https://registry.npmjs.org/get-value/-/get-value-2.0.6.tgz", - "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=" + "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=", + "optional": true }, "glob": { "version": "7.1.6", @@ -1301,6 +1332,7 @@ "version": "2.0.0", "resolved": "https://registry.npmjs.org/glob-parent/-/glob-parent-2.0.0.tgz", "integrity": "sha1-gTg9ctsFT8zPUzbaqQLxgvbtuyg=", + "optional": true, "requires": { "is-glob": "^2.0.0" } @@ -1333,6 +1365,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/has-value/-/has-value-1.0.0.tgz", "integrity": "sha1-GLKB2lhbHFxR3vJMkw7SmgvmsXc=", + "optional": true, "requires": { "get-value": "^2.0.6", "has-values": "^1.0.0", @@ -1342,7 +1375,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -1350,6 +1384,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/has-values/-/has-values-1.0.0.tgz", "integrity": "sha1-lbC2P+whRmGab+V/51Yo1aOe/k8=", + "optional": true, "requires": { "is-number": "^3.0.0", "kind-of": "^4.0.0" @@ -1359,6 +1394,7 @@ "version": "3.0.0", "resolved": "https://registry.npmjs.org/is-number/-/is-number-3.0.0.tgz", "integrity": "sha1-JP1iAaR4LPUFYcgQJ2r8fRLXEZU=", + "optional": true, "requires": { "kind-of": "^3.0.2" }, @@ -1367,6 +1403,7 @@ "version": "3.2.2", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-3.2.2.tgz", "integrity": "sha1-MeohpzS6ubuw8yRm2JOupR5KPGQ=", + "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1377,6 +1414,7 @@ "version": "4.0.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-4.0.0.tgz", "integrity": "sha1-IIE989cSkosgc3hpGkUGb65y3Vc=", + "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1418,6 +1456,7 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-0.1.6.tgz", "integrity": "sha1-qeEss66Nh2cn7u84Q/igiXtcmNY=", + "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1440,6 +1479,7 @@ "version": "0.1.4", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-0.1.4.tgz", "integrity": "sha1-C17mSDiOLIYCgueT8YVv7D8wG1Y=", + "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1448,6 +1488,7 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-0.1.6.tgz", "integrity": "sha512-avDYr0SB3DwO9zsMov0gKCESFYqCnE4hq/4z3TdUlukEy5t9C0YRq7HLrsN52NAcqXKaepeCD0n+B0arnVG3Hg==", + "optional": true, "requires": { "is-accessor-descriptor": "^0.1.6", "is-data-descriptor": "^0.1.4", @@ -1457,7 +1498,8 @@ "kind-of": { "version": "5.1.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-5.1.0.tgz", - "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==" + "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==", + "optional": true } } }, @@ -1479,7 +1521,8 @@ "is-extendable": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-0.1.1.tgz", - "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=" + "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=", + "optional": true }, "is-extglob": { "version": "1.0.0", @@ -1520,6 +1563,7 @@ "version": "2.0.4", "resolved": "https://registry.npmjs.org/is-plain-object/-/is-plain-object-2.0.4.tgz", "integrity": "sha512-h5PpgXkWitc38BBMYawTYMWJHFZJVnBquFE57xFpjB8pJFiF6gZ+bU+WyI/yqXiFR5mdLsgYNaPe8uao6Uv9Og==", + "optional": true, "requires": { "isobject": "^3.0.1" }, @@ -1527,7 +1571,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -1560,7 +1605,8 @@ "isarray": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/isarray/-/isarray-1.0.0.tgz", - "integrity": "sha1-u5NdSFgsuhaMBoNJV6VKPgcSTxE=" + "integrity": "sha1-u5NdSFgsuhaMBoNJV6VKPgcSTxE=", + "optional": true }, "isobject": { "version": "2.1.0", @@ -1651,6 +1697,7 @@ "version": "3.2.2", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-3.2.2.tgz", "integrity": "sha1-MeohpzS6ubuw8yRm2JOupR5KPGQ=", + "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1677,12 +1724,14 @@ "map-cache": { "version": "0.2.2", "resolved": "https://registry.npmjs.org/map-cache/-/map-cache-0.2.2.tgz", - "integrity": "sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=" + "integrity": "sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=", + "optional": true }, "map-visit": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/map-visit/-/map-visit-1.0.0.tgz", "integrity": "sha1-7Nyo8TFE5mDxtb1B8S80edmN+48=", + "optional": true, "requires": { "object-visit": "^1.0.0" } @@ -1746,6 +1795,7 @@ "version": "1.3.2", "resolved": "https://registry.npmjs.org/mixin-deep/-/mixin-deep-1.3.2.tgz", "integrity": "sha512-WRoDn//mXBiJ1H40rqa3vH0toePwSsGb45iInWlTySa+Uu4k3tYUSxa2v1KqAiLtvlrSzaExqS1gtk96A9zvEA==", + "optional": true, "requires": { "for-in": "^1.0.2", "is-extendable": "^1.0.1" @@ -1755,6 +1805,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-1.0.1.tgz", "integrity": "sha512-arnXMxT1hhoKo9k1LZdmlNyJdDDfy2v0fXjFlmok4+i8ul/6WlbVge9bhM74OpNPQPMGUToDtz+KXa1PneJxOA==", + "optional": true, "requires": { "is-plain-object": "^2.0.4" } @@ -1916,6 +1967,7 @@ "version": "2.1.1", "resolved": "https://registry.npmjs.org/normalize-path/-/normalize-path-2.1.1.tgz", "integrity": "sha1-GrKLVW4Zg2Oowab35vogE3/mrtk=", + "optional": true, "requires": { "remove-trailing-separator": "^1.0.1" } @@ -1929,6 +1981,7 @@ "version": "0.1.0", "resolved": "https://registry.npmjs.org/object-copy/-/object-copy-0.1.0.tgz", "integrity": "sha1-fn2Fi3gb18mRpBupde04EnVOmYw=", + "optional": true, "requires": { "copy-descriptor": "^0.1.0", "define-property": "^0.2.5", @@ -1939,6 +1992,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -1949,6 +2003,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/object-visit/-/object-visit-1.0.1.tgz", "integrity": "sha1-95xEk68MU3e1n+OdOV5BBC3QRbs=", + "optional": true, "requires": { "isobject": "^3.0.0" }, @@ -1956,7 +2011,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -1974,6 +2030,7 @@ "version": "1.3.0", "resolved": "https://registry.npmjs.org/object.pick/-/object.pick-1.3.0.tgz", "integrity": "sha1-h6EKxMFpS9Lhy/U1kaZhQftd10c=", + "optional": true, "requires": { "isobject": "^3.0.1" }, @@ -1981,7 +2038,8 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, @@ -2028,7 +2086,8 @@ "pascalcase": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/pascalcase/-/pascalcase-0.1.1.tgz", - "integrity": "sha1-s2PlXoAGym/iF4TS2yK9FdeRfxQ=" + "integrity": "sha1-s2PlXoAGym/iF4TS2yK9FdeRfxQ=", + "optional": true }, "path": { "version": "0.12.7", @@ -2142,7 +2201,8 @@ "array-unique": { "version": "0.3.2", "resolved": "https://registry.npmjs.org/array-unique/-/array-unique-0.3.2.tgz", - "integrity": "sha1-qJS3XUvE9s1nnvMkSp/Y9Gri1Cg=" + "integrity": "sha1-qJS3XUvE9s1nnvMkSp/Y9Gri1Cg=", + "optional": true }, "braces": { "version": "2.3.2", @@ -2382,7 +2442,8 @@ "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", + "optional": true }, "micromatch": { "version": "3.1.10", @@ -2440,6 +2501,7 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/regex-not/-/regex-not-1.0.2.tgz", "integrity": "sha512-J6SDjUgDxQj5NusnOtdFxDwN/+HWykR8GELwctJ7mdqhcyy1xEc4SRFHUXvxTp661YaVKAjfRLZ9cCqS6tn32A==", + "optional": true, "requires": { "extend-shallow": "^3.0.2", "safe-regex": "^1.1.0" @@ -2478,17 +2540,20 @@ "remove-trailing-separator": { "version": "1.1.0", "resolved": "https://registry.npmjs.org/remove-trailing-separator/-/remove-trailing-separator-1.1.0.tgz", - "integrity": "sha1-wkvOKig62tW8P1jg1IJJuSN52O8=" + "integrity": "sha1-wkvOKig62tW8P1jg1IJJuSN52O8=", + "optional": true }, "repeat-element": { "version": "1.1.3", "resolved": "https://registry.npmjs.org/repeat-element/-/repeat-element-1.1.3.tgz", - "integrity": "sha512-ahGq0ZnV5m5XtZLMb+vP76kcAM5nkLqk0lpqAuojSKGgQtn4eRi4ZZGm2olo2zKFH+sMsWaqOCW1dqAnOru72g==" + "integrity": "sha512-ahGq0ZnV5m5XtZLMb+vP76kcAM5nkLqk0lpqAuojSKGgQtn4eRi4ZZGm2olo2zKFH+sMsWaqOCW1dqAnOru72g==", + "optional": true }, "repeat-string": { "version": "1.6.1", "resolved": "https://registry.npmjs.org/repeat-string/-/repeat-string-1.6.1.tgz", - "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=" + "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=", + "optional": true }, "repeating": { "version": "2.0.1", @@ -2501,12 +2566,14 @@ "resolve-url": { "version": "0.2.1", "resolved": "https://registry.npmjs.org/resolve-url/-/resolve-url-0.2.1.tgz", - "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=" + "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=", + "optional": true }, "ret": { "version": "0.1.15", "resolved": "https://registry.npmjs.org/ret/-/ret-0.1.15.tgz", - "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==" + "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==", + "optional": true }, "rimraf": { "version": "2.7.1", @@ -2525,6 +2592,7 @@ "version": "1.1.0", "resolved": "https://registry.npmjs.org/safe-regex/-/safe-regex-1.1.0.tgz", "integrity": "sha1-QKNmnzsHfR6UPURinhV91IAjvy4=", + "optional": true, "requires": { "ret": "~0.1.10" } @@ -2538,6 +2606,7 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/set-value/-/set-value-2.0.1.tgz", "integrity": "sha512-JxHc1weCN68wRY0fhCoXpyK55m/XPHafOmK4UWD7m2CI14GMcFypt4w/0+NV5f/ZMby2F6S2wwA7fgynh9gWSw==", + "optional": true, "requires": { "extend-shallow": "^2.0.1", "is-extendable": "^0.1.1", @@ -2549,6 +2618,7 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-2.0.1.tgz", "integrity": "sha1-Ua99YUrZqfYQ6huvu5idaxxWiQ8=", + "optional": true, "requires": { "is-extendable": "^0.1.0" } @@ -2570,6 +2640,7 @@ "version": "0.8.2", "resolved": "https://registry.npmjs.org/snapdragon/-/snapdragon-0.8.2.tgz", "integrity": "sha512-FtyOnWN/wCHTVXOMwvSv26d+ko5vWlIDD6zoUJ7LW8vh+ZBC8QdljveRP+crNrtBwioEUWy/4dMtbBjA4ioNlg==", + "optional": true, "requires": { "base": "^0.11.1", "debug": "^2.2.0", @@ -2585,6 +2656,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2593,6 +2665,7 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-2.0.1.tgz", "integrity": "sha1-Ua99YUrZqfYQ6huvu5idaxxWiQ8=", + "optional": true, "requires": { "is-extendable": "^0.1.0" } @@ -2657,7 +2730,8 @@ "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", + "optional": true } } }, @@ -2679,6 +2753,7 @@ "version": "0.5.3", "resolved": "https://registry.npmjs.org/source-map-resolve/-/source-map-resolve-0.5.3.tgz", "integrity": "sha512-Htz+RnsXWk5+P2slx5Jh3Q66vhQj1Cllm0zvnaY98+NFx+Dv2CF/f5O/t8x+KaNdrdIAsruNzoh/KpialbqAnw==", + "optional": true, "requires": { "atob": "^2.1.2", "decode-uri-component": "^0.2.0", @@ -2698,12 +2773,14 @@ "source-map-url": { "version": "0.4.0", "resolved": "https://registry.npmjs.org/source-map-url/-/source-map-url-0.4.0.tgz", - "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=" + "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=", + "optional": true }, "split-string": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/split-string/-/split-string-3.1.0.tgz", "integrity": "sha512-NzNVhJDYpwceVVii8/Hu6DKfD2G+NrQHlS/V/qgv763EYudVwEcMQNxd2lh+0VrUByXN/oJkl5grOhYWvQUYiw==", + "optional": true, "requires": { "extend-shallow": "^3.0.0" } @@ -2717,6 +2794,7 @@ "version": "0.1.2", "resolved": "https://registry.npmjs.org/static-extend/-/static-extend-0.1.2.tgz", "integrity": "sha1-YICcOcv/VTNyJv1eC1IPNB8ftcY=", + "optional": true, "requires": { "define-property": "^0.2.5", "object-copy": "^0.1.0" @@ -2726,6 +2804,7 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", + "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2769,6 +2848,7 @@ "version": "0.3.0", "resolved": "https://registry.npmjs.org/to-object-path/-/to-object-path-0.3.0.tgz", "integrity": "sha1-KXWIt7Dn4KwI4E5nL4XB9JmeF68=", + "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -2777,6 +2857,7 @@ "version": "3.0.2", "resolved": "https://registry.npmjs.org/to-regex/-/to-regex-3.0.2.tgz", "integrity": "sha512-FWtleNAtZ/Ki2qtqej2CXTOayOH9bHDQF+Q48VpWyDXjbYxA4Yz8iDB31zXOBUlOHHKidDbqGVrTUvQMPmBGBw==", + "optional": true, "requires": { "define-property": "^2.0.2", "extend-shallow": "^3.0.2", @@ -2825,6 +2906,7 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/union-value/-/union-value-1.0.1.tgz", "integrity": "sha512-tJfXmxMeWYnczCVs7XAEvIV7ieppALdyepWMkHkwciRpZraG/xwT+s2JN8+pr1+8jCRf80FFzvr+MpQeeoF4Xg==", + "optional": true, "requires": { "arr-union": "^3.1.0", "get-value": "^2.0.6", @@ -2841,6 +2923,7 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/unset-value/-/unset-value-1.0.0.tgz", "integrity": "sha1-g3aHP30jNRef+x5vw6jtDfyKtVk=", + "optional": true, "requires": { "has-value": "^0.3.1", "isobject": "^3.0.0" @@ -2850,6 +2933,7 @@ "version": "0.3.1", "resolved": "https://registry.npmjs.org/has-value/-/has-value-0.3.1.tgz", "integrity": "sha1-ex9YutpiyoJ+wKIHgCVlSEWZXh8=", + "optional": true, "requires": { "get-value": "^2.0.3", "has-values": "^0.1.4", @@ -2860,6 +2944,7 @@ "version": "2.1.0", "resolved": "https://registry.npmjs.org/isobject/-/isobject-2.1.0.tgz", "integrity": "sha1-8GVWEJaj8dou9GJy+BXIQNh+DIk=", + "optional": true, "requires": { "isarray": "1.0.0" } @@ -2869,24 +2954,28 @@ "has-values": { "version": "0.1.4", "resolved": "https://registry.npmjs.org/has-values/-/has-values-0.1.4.tgz", - "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=" + "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=", + "optional": true }, "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", + "optional": true } } }, "urix": { "version": "0.1.0", "resolved": "https://registry.npmjs.org/urix/-/urix-0.1.0.tgz", - "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=" + "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=", + "optional": true }, "use": { "version": "3.1.1", "resolved": "https://registry.npmjs.org/use/-/use-3.1.1.tgz", - "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==" + "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==", + "optional": true }, "user-home": { "version": "1.1.1", diff --git a/schema/molecule.json b/schema/molecule.json new file mode 100644 index 000000000..ec909c08d --- /dev/null +++ b/schema/molecule.json @@ -0,0 +1,11 @@ +{ + "schemaId": "molecule", + "$schema": "http://json-schema.org/draft-04/schema#", + "title": "molecule schema", + "allOf": [ + { + "description": "material schema", + "$ref": "material.json" + } + ] +} From 97813ad7aa668075dc08bc2516d9f15c1f987fe9 Mon Sep 17 00:00:00 2001 From: adewyer Date: Fri, 7 Jan 2022 14:14:50 -0800 Subject: [PATCH 05/12] added both symmetry values to examples for material and molecule schema --- example/material.json | 1 + example/molecule.json | 1 + package-lock.json | 165 ++++++++++-------------------------------- 3 files changed, 40 insertions(+), 127 deletions(-) diff --git a/example/material.json b/example/material.json index 545c6b676..d50811f98 100644 --- a/example/material.json +++ b/example/material.json @@ -49,6 +49,7 @@ }, { "name": "symmetry", + "pointGroupSymmetry": "D*h", "spaceGroupSymbol": "Fd-3m", "tolerance": { "units": "angstrom", diff --git a/example/molecule.json b/example/molecule.json index 3a77dd96e..0785ef97e 100644 --- a/example/molecule.json +++ b/example/molecule.json @@ -52,6 +52,7 @@ { "name": "symmetry", "pointGroupSymbol": "C2v", + "spaceGroupSymbol": "Pmm2", "tolerance": { "units": "angstrom", "value": 0.3 diff --git a/package-lock.json b/package-lock.json index d0f3ccadd..a4f6f3971 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1,6 +1,6 @@ { "name": "@exabyte-io/esse.js", - "version": "2021.05.06", + "version": "2020.10.19.2", "lockfileVersion": 1, "requires": true, "dependencies": { @@ -53,14 +53,12 @@ "arr-flatten": { "version": "1.1.0", "resolved": "https://registry.npmjs.org/arr-flatten/-/arr-flatten-1.1.0.tgz", - "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==", - "optional": true + "integrity": "sha512-L3hKV5R/p5o81R7O02IGnwpDmkp6E982XhtbuwSe3O4qOtMMMtodicASA1Cny2U+aCXcNpml+m4dPsvsJ3jatg==" }, "arr-union": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/arr-union/-/arr-union-3.1.0.tgz", - "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=", - "optional": true + "integrity": "sha1-45sJrqne+Gao8gbiiK9jkZuuOcQ=" }, "array-unique": { "version": "0.2.1", @@ -77,8 +75,7 @@ "assign-symbols": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/assign-symbols/-/assign-symbols-1.0.0.tgz", - "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=", - "optional": true + "integrity": "sha1-WWZ/QfrdTyDMvCu5a41Pf3jsA2c=" }, "async": { "version": "3.2.0", @@ -94,8 +91,7 @@ "atob": { "version": "2.1.2", "resolved": "https://registry.npmjs.org/atob/-/atob-2.1.2.tgz", - "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==", - "optional": true + "integrity": "sha512-Wm6ukoaOGJi/73p/cl2GvLjTI5JM1k/O14isD73YML8StrH/7/lRFgmg8nICZgD3bZZvjwCGxtMOD3wWNAu8cg==" }, "babel-cli": { "version": "6.26.0", @@ -758,7 +754,6 @@ "version": "0.11.2", "resolved": "https://registry.npmjs.org/base/-/base-0.11.2.tgz", "integrity": "sha512-5T6P4xPgpp0YDFvSWwEZ4NoE3aM4QBQXDzmVbraCkFj8zHM+mba8SyqB5DbZWyR7mYHo6Y7BdQo3MoA4m0TeQg==", - "optional": true, "requires": { "cache-base": "^1.0.1", "class-utils": "^0.3.5", @@ -773,7 +768,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/define-property/-/define-property-1.0.0.tgz", "integrity": "sha1-dp66rz9KY6rTr56NMEybvnm/sOY=", - "optional": true, "requires": { "is-descriptor": "^1.0.0" } @@ -782,7 +776,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-1.0.0.tgz", "integrity": "sha512-m5hnHTkcVsPfqx3AKlyttIPb7J+XykHvJP2B9bZDjlhLIoEq4XoK64Vg7boZlVWYK6LUY94dYPEE7Lh0ZkZKcQ==", - "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -791,7 +784,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-1.0.0.tgz", "integrity": "sha512-jbRXy1FmtAoCjQkVmIVYwuuqDFUbaOeDjmed1tOGPrsMhtJA4rD9tkgA0F1qJ3gRFRXcHYVkdeaP50Q5rE/jLQ==", - "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -800,7 +792,6 @@ "version": "1.0.2", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-1.0.2.tgz", "integrity": "sha512-2eis5WqQGV7peooDyLmNEPUrps9+SXX5c9pL3xEB+4e9HnGuDa7mB7kHxHw4CbqS9k1T2hOH3miL8n8WtiYVtg==", - "optional": true, "requires": { "is-accessor-descriptor": "^1.0.0", "is-data-descriptor": "^1.0.0", @@ -810,14 +801,12 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" }, "kind-of": { "version": "6.0.3", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-6.0.3.tgz", - "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==", - "optional": true + "integrity": "sha512-dcS1ul+9tmeD95T+x28/ehLgd9mENa3LsvDTtzm3vyBEO7RPptvAD+t44WVXaUjTBRcrpFeFlC8WCruUR456hw==" } } }, @@ -869,7 +858,6 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/cache-base/-/cache-base-1.0.1.tgz", "integrity": "sha512-AKcdTnFSWATd5/GCPRxr2ChwIJ85CeyrEyjRHlKxQ56d4XJMGym0uAiKn0xbLOGOl3+yRpOTi484dVCEc5AUzQ==", - "optional": true, "requires": { "collection-visit": "^1.0.0", "component-emitter": "^1.2.1", @@ -885,8 +873,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -944,7 +931,6 @@ "version": "0.3.6", "resolved": "https://registry.npmjs.org/class-utils/-/class-utils-0.3.6.tgz", "integrity": "sha512-qOhPa/Fj7s6TY8H8esGu5QNpMMQxz79h+urzrNYN6mn+9BnxlDGf5QZ+XeCDsxSjPqsSR56XOZOJmpeurnLMeg==", - "optional": true, "requires": { "arr-union": "^3.1.0", "define-property": "^0.2.5", @@ -956,7 +942,6 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", - "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -964,8 +949,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -983,7 +967,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/collection-visit/-/collection-visit-1.0.0.tgz", "integrity": "sha1-S8A3PBZLwykbTTaMgpzxqApZ3KA=", - "optional": true, "requires": { "map-visit": "^1.0.0", "object-visit": "^1.0.0" @@ -1003,8 +986,7 @@ "component-emitter": { "version": "1.3.0", "resolved": "https://registry.npmjs.org/component-emitter/-/component-emitter-1.3.0.tgz", - "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==", - "optional": true + "integrity": "sha512-Rd3se6QB+sO1TwqZjscQrurpEPIfO0/yYnSin6Q/rD3mOutHvUrCAhJub3r90uNb+SESBuE0QYoB90YdfatsRg==" }, "concat-map": { "version": "0.0.1", @@ -1022,8 +1004,7 @@ "copy-descriptor": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/copy-descriptor/-/copy-descriptor-0.1.1.tgz", - "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=", - "optional": true + "integrity": "sha1-Z29us8OZl8LuGsOpJP1hJHSPV40=" }, "core-js": { "version": "2.6.11", @@ -1057,8 +1038,7 @@ "decode-uri-component": { "version": "0.2.0", "resolved": "https://registry.npmjs.org/decode-uri-component/-/decode-uri-component-0.2.0.tgz", - "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=", - "optional": true + "integrity": "sha1-6zkTMzRYd1y4TNGh+uBiEGu4dUU=" }, "deep-eql": { "version": "0.1.3", @@ -1081,7 +1061,6 @@ "version": "2.0.2", "resolved": "https://registry.npmjs.org/define-property/-/define-property-2.0.2.tgz", "integrity": "sha512-jwK2UV4cnPpbcG7+VRARKTZPUWowwXA8bzH5NP6ud0oeAxyYPuGZUAC7hMugpCdz4BeSZl2Dl9k66CHJ/46ZYQ==", - "optional": true, "requires": { "is-descriptor": "^1.0.2", "isobject": "^3.0.1" @@ -1091,7 +1070,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-1.0.0.tgz", "integrity": "sha512-m5hnHTkcVsPfqx3AKlyttIPb7J+XykHvJP2B9bZDjlhLIoEq4XoK64Vg7boZlVWYK6LUY94dYPEE7Lh0ZkZKcQ==", - "optional": true, "requires": { "kind-of": "^6.0.0" } @@ -1100,7 +1078,6 @@ "version": "1.0.0", "resolved": 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"integrity": "sha1-gQaNKVqBQuwKxybG4iAMMPttXoA=" }, "for-own": { "version": "0.1.5", @@ -1256,7 +1227,6 @@ "version": "0.2.1", "resolved": "https://registry.npmjs.org/fragment-cache/-/fragment-cache-0.2.1.tgz", "integrity": "sha1-QpD60n8T6Jvn8zeZxrxaCr//DRk=", - "optional": true, "requires": { "map-cache": "^0.2.2" } @@ -1302,8 +1272,7 @@ "get-value": { "version": "2.0.6", "resolved": "https://registry.npmjs.org/get-value/-/get-value-2.0.6.tgz", - "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=", - "optional": true + "integrity": "sha1-3BXKHGcjh8p2vTesCjlbogQqLCg=" }, "glob": { "version": "7.1.6", @@ -1332,7 +1301,6 @@ "version": "2.0.0", "resolved": "https://registry.npmjs.org/glob-parent/-/glob-parent-2.0.0.tgz", "integrity": "sha1-gTg9ctsFT8zPUzbaqQLxgvbtuyg=", - "optional": true, "requires": { "is-glob": "^2.0.0" } @@ -1365,7 +1333,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/has-value/-/has-value-1.0.0.tgz", "integrity": "sha1-GLKB2lhbHFxR3vJMkw7SmgvmsXc=", - "optional": true, "requires": { "get-value": "^2.0.6", "has-values": "^1.0.0", @@ -1375,8 +1342,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -1384,7 +1350,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/has-values/-/has-values-1.0.0.tgz", "integrity": "sha1-lbC2P+whRmGab+V/51Yo1aOe/k8=", - "optional": true, "requires": { "is-number": "^3.0.0", "kind-of": "^4.0.0" @@ -1394,7 +1359,6 @@ "version": "3.0.0", "resolved": "https://registry.npmjs.org/is-number/-/is-number-3.0.0.tgz", "integrity": "sha1-JP1iAaR4LPUFYcgQJ2r8fRLXEZU=", - "optional": true, "requires": { "kind-of": "^3.0.2" }, @@ -1403,7 +1367,6 @@ "version": "3.2.2", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-3.2.2.tgz", "integrity": "sha1-MeohpzS6ubuw8yRm2JOupR5KPGQ=", - "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1414,7 +1377,6 @@ "version": "4.0.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-4.0.0.tgz", "integrity": "sha1-IIE989cSkosgc3hpGkUGb65y3Vc=", - "optional": true, "requires": { "is-buffer": "^1.1.5" } @@ -1456,7 +1418,6 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-accessor-descriptor/-/is-accessor-descriptor-0.1.6.tgz", "integrity": "sha1-qeEss66Nh2cn7u84Q/igiXtcmNY=", - "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1479,7 +1440,6 @@ "version": "0.1.4", "resolved": "https://registry.npmjs.org/is-data-descriptor/-/is-data-descriptor-0.1.4.tgz", "integrity": "sha1-C17mSDiOLIYCgueT8YVv7D8wG1Y=", - "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -1488,7 +1448,6 @@ "version": "0.1.6", "resolved": "https://registry.npmjs.org/is-descriptor/-/is-descriptor-0.1.6.tgz", "integrity": "sha512-avDYr0SB3DwO9zsMov0gKCESFYqCnE4hq/4z3TdUlukEy5t9C0YRq7HLrsN52NAcqXKaepeCD0n+B0arnVG3Hg==", - "optional": true, "requires": { "is-accessor-descriptor": "^0.1.6", "is-data-descriptor": "^0.1.4", @@ -1498,8 +1457,7 @@ "kind-of": { "version": "5.1.0", "resolved": "https://registry.npmjs.org/kind-of/-/kind-of-5.1.0.tgz", - "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==", - "optional": true + "integrity": "sha512-NGEErnH6F2vUuXDh+OlbcKW7/wOcfdRHaZ7VWtqCztfHri/++YKmP51OdWeGPuqCOba6kk2OTe5d02VmTB80Pw==" } } }, @@ -1521,8 +1479,7 @@ "is-extendable": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-0.1.1.tgz", - "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=", - "optional": true + "integrity": "sha1-YrEQ4omkcUGOPsNqYX1HLjAd/Ik=" }, "is-extglob": { "version": "1.0.0", @@ -1563,7 +1520,6 @@ "version": "2.0.4", "resolved": "https://registry.npmjs.org/is-plain-object/-/is-plain-object-2.0.4.tgz", "integrity": "sha512-h5PpgXkWitc38BBMYawTYMWJHFZJVnBquFE57xFpjB8pJFiF6gZ+bU+WyI/yqXiFR5mdLsgYNaPe8uao6Uv9Og==", - 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"sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=", - "optional": true + "integrity": "sha1-wyq9C9ZSXZsFFkW7TyasXcmKDb8=" }, "map-visit": { "version": "1.0.0", "resolved": "https://registry.npmjs.org/map-visit/-/map-visit-1.0.0.tgz", "integrity": "sha1-7Nyo8TFE5mDxtb1B8S80edmN+48=", - "optional": true, "requires": { "object-visit": "^1.0.0" } @@ -1795,7 +1746,6 @@ "version": "1.3.2", "resolved": "https://registry.npmjs.org/mixin-deep/-/mixin-deep-1.3.2.tgz", "integrity": "sha512-WRoDn//mXBiJ1H40rqa3vH0toePwSsGb45iInWlTySa+Uu4k3tYUSxa2v1KqAiLtvlrSzaExqS1gtk96A9zvEA==", - "optional": true, "requires": { "for-in": "^1.0.2", "is-extendable": "^1.0.1" @@ -1805,7 +1755,6 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/is-extendable/-/is-extendable-1.0.1.tgz", "integrity": "sha512-arnXMxT1hhoKo9k1LZdmlNyJdDDfy2v0fXjFlmok4+i8ul/6WlbVge9bhM74OpNPQPMGUToDtz+KXa1PneJxOA==", - "optional": true, "requires": { "is-plain-object": "^2.0.4" } @@ -1967,7 +1916,6 @@ "version": "2.1.1", "resolved": 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"https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -2030,7 +1974,6 @@ "version": "1.3.0", "resolved": "https://registry.npmjs.org/object.pick/-/object.pick-1.3.0.tgz", "integrity": "sha1-h6EKxMFpS9Lhy/U1kaZhQftd10c=", - "optional": true, "requires": { "isobject": "^3.0.1" }, @@ -2038,8 +1981,7 @@ "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, @@ -2086,8 +2028,7 @@ "pascalcase": { "version": "0.1.1", "resolved": "https://registry.npmjs.org/pascalcase/-/pascalcase-0.1.1.tgz", - "integrity": "sha1-s2PlXoAGym/iF4TS2yK9FdeRfxQ=", - "optional": true + "integrity": "sha1-s2PlXoAGym/iF4TS2yK9FdeRfxQ=" }, "path": { "version": "0.12.7", @@ -2201,8 +2142,7 @@ 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@@ -2540,20 +2478,17 @@ "remove-trailing-separator": { "version": "1.1.0", "resolved": "https://registry.npmjs.org/remove-trailing-separator/-/remove-trailing-separator-1.1.0.tgz", - "integrity": "sha1-wkvOKig62tW8P1jg1IJJuSN52O8=", - "optional": true + "integrity": "sha1-wkvOKig62tW8P1jg1IJJuSN52O8=" }, "repeat-element": { "version": "1.1.3", "resolved": "https://registry.npmjs.org/repeat-element/-/repeat-element-1.1.3.tgz", - "integrity": "sha512-ahGq0ZnV5m5XtZLMb+vP76kcAM5nkLqk0lpqAuojSKGgQtn4eRi4ZZGm2olo2zKFH+sMsWaqOCW1dqAnOru72g==", - "optional": true + "integrity": "sha512-ahGq0ZnV5m5XtZLMb+vP76kcAM5nkLqk0lpqAuojSKGgQtn4eRi4ZZGm2olo2zKFH+sMsWaqOCW1dqAnOru72g==" }, "repeat-string": { "version": "1.6.1", "resolved": "https://registry.npmjs.org/repeat-string/-/repeat-string-1.6.1.tgz", - "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=", - "optional": true + "integrity": "sha1-jcrkcOHIirwtYA//Sndihtp15jc=" }, "repeating": { "version": "2.0.1", @@ -2566,14 +2501,12 @@ "resolve-url": { "version": "0.2.1", "resolved": "https://registry.npmjs.org/resolve-url/-/resolve-url-0.2.1.tgz", - "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=", - "optional": true + "integrity": "sha1-LGN/53yJOv0qZj/iGqkIAGjiBSo=" }, "ret": { "version": "0.1.15", "resolved": "https://registry.npmjs.org/ret/-/ret-0.1.15.tgz", - "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==", - "optional": true + "integrity": "sha512-TTlYpa+OL+vMMNG24xSlQGEJ3B/RzEfUlLct7b5G/ytav+wPrplCpVMFuwzXbkecJrb6IYo1iFb0S9v37754mg==" }, "rimraf": { "version": "2.7.1", @@ -2592,7 +2525,6 @@ "version": "1.1.0", "resolved": "https://registry.npmjs.org/safe-regex/-/safe-regex-1.1.0.tgz", "integrity": "sha1-QKNmnzsHfR6UPURinhV91IAjvy4=", - "optional": true, "requires": { "ret": "~0.1.10" } @@ -2606,7 +2538,6 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/set-value/-/set-value-2.0.1.tgz", "integrity": "sha512-JxHc1weCN68wRY0fhCoXpyK55m/XPHafOmK4UWD7m2CI14GMcFypt4w/0+NV5f/ZMby2F6S2wwA7fgynh9gWSw==", - "optional": true, "requires": { "extend-shallow": "^2.0.1", "is-extendable": "^0.1.1", @@ -2618,7 +2549,6 @@ "version": "2.0.1", "resolved": "https://registry.npmjs.org/extend-shallow/-/extend-shallow-2.0.1.tgz", "integrity": "sha1-Ua99YUrZqfYQ6huvu5idaxxWiQ8=", - "optional": true, "requires": { "is-extendable": "^0.1.0" } @@ -2640,7 +2570,6 @@ "version": "0.8.2", "resolved": "https://registry.npmjs.org/snapdragon/-/snapdragon-0.8.2.tgz", "integrity": "sha512-FtyOnWN/wCHTVXOMwvSv26d+ko5vWlIDD6zoUJ7LW8vh+ZBC8QdljveRP+crNrtBwioEUWy/4dMtbBjA4ioNlg==", - "optional": true, "requires": { "base": "^0.11.1", "debug": "^2.2.0", @@ -2656,7 +2585,6 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", - "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2665,7 +2593,6 @@ "version": 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"https://registry.npmjs.org/source-map-url/-/source-map-url-0.4.0.tgz", - "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=", - "optional": true + "integrity": "sha1-PpNdfd1zYxuXZZlW1VEo6HtQhKM=" }, "split-string": { "version": "3.1.0", "resolved": "https://registry.npmjs.org/split-string/-/split-string-3.1.0.tgz", "integrity": "sha512-NzNVhJDYpwceVVii8/Hu6DKfD2G+NrQHlS/V/qgv763EYudVwEcMQNxd2lh+0VrUByXN/oJkl5grOhYWvQUYiw==", - "optional": true, "requires": { "extend-shallow": "^3.0.0" } @@ -2794,7 +2717,6 @@ "version": "0.1.2", "resolved": "https://registry.npmjs.org/static-extend/-/static-extend-0.1.2.tgz", "integrity": "sha1-YICcOcv/VTNyJv1eC1IPNB8ftcY=", - "optional": true, "requires": { "define-property": "^0.2.5", "object-copy": "^0.1.0" @@ -2804,7 +2726,6 @@ "version": "0.2.5", "resolved": "https://registry.npmjs.org/define-property/-/define-property-0.2.5.tgz", "integrity": "sha1-w1se+RjsPJkPmlvFe+BKrOxcgRY=", - "optional": true, "requires": { "is-descriptor": "^0.1.0" } @@ -2848,7 +2769,6 @@ "version": "0.3.0", "resolved": "https://registry.npmjs.org/to-object-path/-/to-object-path-0.3.0.tgz", "integrity": "sha1-KXWIt7Dn4KwI4E5nL4XB9JmeF68=", - "optional": true, "requires": { "kind-of": "^3.0.2" } @@ -2857,7 +2777,6 @@ "version": "3.0.2", "resolved": "https://registry.npmjs.org/to-regex/-/to-regex-3.0.2.tgz", "integrity": "sha512-FWtleNAtZ/Ki2qtqej2CXTOayOH9bHDQF+Q48VpWyDXjbYxA4Yz8iDB31zXOBUlOHHKidDbqGVrTUvQMPmBGBw==", - "optional": true, "requires": { "define-property": "^2.0.2", "extend-shallow": "^3.0.2", @@ -2906,7 +2825,6 @@ "version": "1.0.1", "resolved": "https://registry.npmjs.org/union-value/-/union-value-1.0.1.tgz", "integrity": "sha512-tJfXmxMeWYnczCVs7XAEvIV7ieppALdyepWMkHkwciRpZraG/xwT+s2JN8+pr1+8jCRf80FFzvr+MpQeeoF4Xg==", - "optional": true, "requires": { "arr-union": "^3.1.0", "get-value": "^2.0.6", @@ -2923,7 +2841,6 @@ "version": "1.0.0", "resolved": "https://registry.npmjs.org/unset-value/-/unset-value-1.0.0.tgz", "integrity": "sha1-g3aHP30jNRef+x5vw6jtDfyKtVk=", - "optional": true, "requires": { "has-value": "^0.3.1", "isobject": "^3.0.0" @@ -2933,7 +2850,6 @@ "version": "0.3.1", "resolved": "https://registry.npmjs.org/has-value/-/has-value-0.3.1.tgz", "integrity": "sha1-ex9YutpiyoJ+wKIHgCVlSEWZXh8=", - "optional": true, "requires": { "get-value": "^2.0.3", "has-values": "^0.1.4", @@ -2944,7 +2860,6 @@ "version": "2.1.0", "resolved": "https://registry.npmjs.org/isobject/-/isobject-2.1.0.tgz", "integrity": "sha1-8GVWEJaj8dou9GJy+BXIQNh+DIk=", - "optional": true, "requires": { "isarray": "1.0.0" } @@ -2954,28 +2869,24 @@ "has-values": { "version": "0.1.4", "resolved": "https://registry.npmjs.org/has-values/-/has-values-0.1.4.tgz", - "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=", - "optional": true + "integrity": "sha1-bWHeldkd/Km5oCCJrThL/49it3E=" }, "isobject": { "version": "3.0.1", "resolved": "https://registry.npmjs.org/isobject/-/isobject-3.0.1.tgz", - "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=", - "optional": true + "integrity": "sha1-TkMekrEalzFjaqH5yNHMvP2reN8=" } } }, "urix": { "version": "0.1.0", "resolved": "https://registry.npmjs.org/urix/-/urix-0.1.0.tgz", - "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=", - "optional": true + "integrity": "sha1-2pN/emLiH+wf0Y1Js1wpNQZ6bHI=" }, "use": { "version": "3.1.1", "resolved": "https://registry.npmjs.org/use/-/use-3.1.1.tgz", - "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==", - "optional": true + "integrity": "sha512-cwESVXlO3url9YWlFW/TA9cshCEhtu7IKJ/p5soJ/gGpj7vbvFrAY/eIioQ6Dw23KjZhYgiIo8HOs1nQ2vr/oQ==" }, "user-home": { "version": "1.1.1", From 2f414362f79e7067ffa84da346a1f72a16fc23ef Mon Sep 17 00:00:00 2001 From: adewyer Date: Mon, 10 Jan 2022 14:35:12 -0800 Subject: [PATCH 06/12] separated point group and space group into two separate schema within structural properties --- example/material.json | 15 +++++--- example/molecule.json | 17 ++++++--- .../structural/point_group_symmetry.json | 8 +++++ .../structural/space_group_symmetry.json | 8 +++++ .../structural/symmetry.json | 9 ----- manifest/properties.yaml | 9 +++-- .../derived_properties.json | 5 ++- .../structural/point_group_symmetry.json | 30 ++++++++++++++++ .../structural/space_group_symmetry.json | 30 ++++++++++++++++ .../structural/symmetry.json | 35 ------------------- 10 files changed, 110 insertions(+), 56 deletions(-) create mode 100644 example/properties_directory/structural/point_group_symmetry.json create mode 100644 example/properties_directory/structural/space_group_symmetry.json delete mode 100644 example/properties_directory/structural/symmetry.json create mode 100644 schema/properties_directory/structural/point_group_symmetry.json create mode 100644 schema/properties_directory/structural/space_group_symmetry.json delete mode 100644 schema/properties_directory/structural/symmetry.json diff --git a/example/material.json b/example/material.json index d50811f98..1d837fb82 100644 --- a/example/material.json +++ b/example/material.json @@ -48,13 +48,20 @@ "value": 2.33 }, { - "name": "symmetry", + "name": "point_group_symmetry", "pointGroupSymmetry": "D*h", - "spaceGroupSymbol": "Fd-3m", "tolerance": { - "units": "angstrom", "value": 0.3 - } + }, + "units": "angstrom" + }, + { + "name": "space_group_symmetry", + "pointGroupSymmetry": "Fd-3m", + "tolerance": { + "value": 0.3 + }, + "units": "angstrom" }, { "degree": 10, diff --git a/example/molecule.json b/example/molecule.json index 0785ef97e..82f46840b 100644 --- a/example/molecule.json +++ b/example/molecule.json @@ -50,13 +50,20 @@ }, "derivedProperties": [ { - "name": "symmetry", - "pointGroupSymbol": "C2v", - "spaceGroupSymbol": "Pmm2", + "name": "point_group_symmetry", + "pointGroupSymmetry": "C2v", "tolerance": { - "units": "angstrom", "value": 0.3 - } + }, + "units": "angstrom" + }, + { + "name": "space_group_symmetry", + "pointGroupSymmetry": "Pmm2", + "tolerance": { + "value": 0.3 + }, + "units": "angstrom" }, { "degree": 10, diff --git a/example/properties_directory/structural/point_group_symmetry.json b/example/properties_directory/structural/point_group_symmetry.json new file mode 100644 index 000000000..5269ccf68 --- /dev/null +++ b/example/properties_directory/structural/point_group_symmetry.json @@ -0,0 +1,8 @@ +{ + "name": "point_group_symmetry", + "value": "C2v", + "tolerance": { + "value": 0.3 + }, + "units": "angstrom" +} diff --git a/example/properties_directory/structural/space_group_symmetry.json b/example/properties_directory/structural/space_group_symmetry.json new file mode 100644 index 000000000..dfa30fdc5 --- /dev/null +++ b/example/properties_directory/structural/space_group_symmetry.json @@ -0,0 +1,8 @@ +{ + "name": "space_group_symmetry", + "value": "Fd-3m", + "tolerance": { + "value": 0.3 + }, + "units": "angstrom" +} diff --git a/example/properties_directory/structural/symmetry.json b/example/properties_directory/structural/symmetry.json deleted file mode 100644 index 7e8e6be76..000000000 --- a/example/properties_directory/structural/symmetry.json +++ /dev/null @@ -1,9 +0,0 @@ -{ - "name": "symmetry", - "pointGroupSymbol": "C2v", - "spaceGroupSymbol": "Fd-3m", - "tolerance": { - "units": "angstrom", - "value": 0.3 - } -} diff --git a/manifest/properties.yaml b/manifest/properties.yaml index d36f85e0a..1d8a42045 100644 --- a/manifest/properties.yaml +++ b/manifest/properties.yaml @@ -205,10 +205,15 @@ volume: units: angstrom^3 schemaId: properties-directory-structural-volume -symmetry: +point_group_symmetry: defaults: units: angstrom - schemaId: properties-directory-structural-symmetry + schemaId: properties-directory-structural-point-group-symmetry + +space_group_symmetry: + defaults: + units: angstrom + schemaId: properties-directory-structural-space-group-symmetry elemental_ratio: schemaId: properties-directory-structural-elemental-ratio diff --git a/schema/properties_directory/derived_properties.json b/schema/properties_directory/derived_properties.json index 2f667fb2c..98c652601 100644 --- a/schema/properties_directory/derived_properties.json +++ b/schema/properties_directory/derived_properties.json @@ -12,7 +12,10 @@ "$ref": "structural/density.json" }, { - "$ref": "structural/symmetry.json" + "$ref": "structural/point_group_symmetry.json" + }, + { + "ref": "structural/space_group_symmetry.json" }, { "$ref": "structural/elemental_ratio.json" diff --git a/schema/properties_directory/structural/point_group_symmetry.json b/schema/properties_directory/structural/point_group_symmetry.json new file mode 100644 index 000000000..f674644c4 --- /dev/null +++ b/schema/properties_directory/structural/point_group_symmetry.json @@ -0,0 +1,30 @@ +{ + "schemaId": "properties-directory-structural-point-group-symmetry", + "$schema": "http://json-schema.org/draft-04/schema#", + "title": "point group symmetry schema", + "allOf": [ + { + "$ref": "../../core/primitive/string.json" + } + ], + "properties": { + "name": { + "enum": [ + "point_group_symmetry" + ] + }, + "units": { + "enum": [ + "angstrom" + ] + }, + "tolerance": { + "description": "tolerance used for symmetry calculation", + "allOf": [ + { + "$ref": "../../core/primitive/scalar.json" + } + ] + } + } +} diff --git a/schema/properties_directory/structural/space_group_symmetry.json b/schema/properties_directory/structural/space_group_symmetry.json new file mode 100644 index 000000000..c76491779 --- /dev/null +++ b/schema/properties_directory/structural/space_group_symmetry.json @@ -0,0 +1,30 @@ +{ + "schemaId": "properties-directory-structural-space-group-symmetry", + "$schema": "http://json-schema.org/draft-04/schema#", + "title": "space group symmetry schema", + "allOf": [ + { + "$ref": "../../core/primitive/string.json" + } + ], + "properties": { + "name": { + "enum": [ + "space_group_symmetry" + ] + }, + "units": { + "enum": [ + "angstrom" + ] + }, + "tolerance": { + "description": "tolerance used for symmetry calculation", + "allOf": [ + { + "$ref": "../../core/primitive/scalar.json" + } + ] + } + } +} diff --git a/schema/properties_directory/structural/symmetry.json b/schema/properties_directory/structural/symmetry.json deleted file mode 100644 index f2f39324a..000000000 --- a/schema/properties_directory/structural/symmetry.json +++ /dev/null @@ -1,35 +0,0 @@ -{ - "schemaId": "properties-directory-structural-symmetry", - "$schema": "http://json-schema.org/draft-04/schema#", - "title": "symmetry schema", - "properties": { - "pointGroupSymbol": { - "description": "point group symbol in Schoenflies notation", - "type": "string" - }, - "spaceGroupSymbol": { - "description": "space group symbol in Hermann\u2013Mauguin notation", - "type": "string" - }, - "tolerance": { - "description": "tolerance used for symmetry calculation", - "allOf": [ - { - "$ref": "../../core/primitive/scalar.json" - } - ], - "properties": { - "units": { - "enum": [ - "angstrom" - ] - } - } - }, - "name": { - "enum": [ - "symmetry" - ] - } - } -} From bb8d366fef50797481101c751ac9c7f63c1b489e Mon Sep 17 00:00:00 2001 From: adewyer Date: Mon, 10 Jan 2022 17:56:41 -0800 Subject: [PATCH 07/12] working, but duplicate symmetry calculation is present to avoid unintended error. --- example/material.json | 8 ++++++++ example/molecule.json | 8 ++++++++ manifest/properties.yaml | 8 ++++++++ schema/properties_directory/derived_properties.json | 3 +++ 4 files changed, 27 insertions(+) diff --git a/example/material.json b/example/material.json index 1d837fb82..087ce16bb 100644 --- a/example/material.json +++ b/example/material.json @@ -63,6 +63,14 @@ }, "units": "angstrom" }, + { + "name": "symmetry", + "spaceGroupSymbol": "Fd-3m", + "tolerance": { + "units": "angstrom", + "value": 0.3 + } + }, { "degree": 10, "name": "p-norm", diff --git a/example/molecule.json b/example/molecule.json index 82f46840b..eda38e905 100644 --- a/example/molecule.json +++ b/example/molecule.json @@ -65,6 +65,14 @@ }, "units": "angstrom" }, + { + "name": "symmetry", + "spaceGroupSymbol": "Fd-3m", + "tolerance": { + "units": "angstrom", + "value": 0.3 + } + }, { "degree": 10, "name": "p-norm", diff --git a/manifest/properties.yaml b/manifest/properties.yaml index 1d8a42045..ebfe9b759 100644 --- a/manifest/properties.yaml +++ b/manifest/properties.yaml @@ -205,6 +205,11 @@ volume: units: angstrom^3 schemaId: properties-directory-structural-volume +symmetry: + defaults: + units: angstrom + schemaId: properties-directory-structural-symmetry + point_group_symmetry: defaults: units: angstrom @@ -245,3 +250,6 @@ molecular_weight: material: schemaId: material + +molecule: + schemaId: molecule diff --git a/schema/properties_directory/derived_properties.json b/schema/properties_directory/derived_properties.json index 98c652601..e37f7e3e7 100644 --- a/schema/properties_directory/derived_properties.json +++ b/schema/properties_directory/derived_properties.json @@ -17,6 +17,9 @@ { "ref": "structural/space_group_symmetry.json" }, + { + "ref": "structural/symmetry.json" + }, { "$ref": "structural/elemental_ratio.json" }, From f493dffaee0777b864c61b6bb5089580b4c8c8c9 Mon Sep 17 00:00:00 2001 From: adewyer Date: Mon, 10 Jan 2022 18:12:03 -0800 Subject: [PATCH 08/12] recreate symmetry schema and example to avoid unintended error in webapp currently --- .../structural/symmetry.json | 9 +++++ .../structural/symmetry.json | 35 +++++++++++++++++++ 2 files changed, 44 insertions(+) create mode 100644 example/properties_directory/structural/symmetry.json create mode 100644 schema/properties_directory/structural/symmetry.json diff --git a/example/properties_directory/structural/symmetry.json b/example/properties_directory/structural/symmetry.json new file mode 100644 index 000000000..7e8e6be76 --- /dev/null +++ b/example/properties_directory/structural/symmetry.json @@ -0,0 +1,9 @@ +{ + "name": "symmetry", + "pointGroupSymbol": "C2v", + "spaceGroupSymbol": "Fd-3m", + "tolerance": { + "units": "angstrom", + "value": 0.3 + } +} diff --git a/schema/properties_directory/structural/symmetry.json b/schema/properties_directory/structural/symmetry.json new file mode 100644 index 000000000..f2f39324a --- /dev/null +++ b/schema/properties_directory/structural/symmetry.json @@ -0,0 +1,35 @@ +{ + "schemaId": "properties-directory-structural-symmetry", + "$schema": "http://json-schema.org/draft-04/schema#", + "title": "symmetry schema", + "properties": { + "pointGroupSymbol": { + "description": "point group symbol in Schoenflies notation", + "type": "string" + }, + "spaceGroupSymbol": { + "description": "space group symbol in Hermann\u2013Mauguin notation", + "type": "string" + }, + "tolerance": { + "description": "tolerance used for symmetry calculation", + "allOf": [ + { + "$ref": "../../core/primitive/scalar.json" + } + ], + "properties": { + "units": { + "enum": [ + "angstrom" + ] + } + } + }, + "name": { + "enum": [ + "symmetry" + ] + } + } +} From acf1a005c32fd1c46346bd6d8d905d7aafd1b4f6 Mon Sep 17 00:00:00 2001 From: adewyer Date: Tue, 11 Jan 2022 15:44:02 -0800 Subject: [PATCH 09/12] remove symmetry derived property & replace w/ point group and space group symmetry properties --- example/material.json | 8 ----- example/molecule.json | 8 ----- .../structural/symmetry.json | 9 ----- manifest/properties.yaml | 5 --- .../derived_properties.json | 3 -- .../structural/symmetry.json | 35 ------------------- 6 files changed, 68 deletions(-) delete mode 100644 example/properties_directory/structural/symmetry.json delete mode 100644 schema/properties_directory/structural/symmetry.json diff --git a/example/material.json b/example/material.json index 087ce16bb..1d837fb82 100644 --- a/example/material.json +++ b/example/material.json @@ -63,14 +63,6 @@ }, "units": "angstrom" }, - { - "name": "symmetry", - "spaceGroupSymbol": "Fd-3m", - "tolerance": { - "units": "angstrom", - "value": 0.3 - } - }, { "degree": 10, "name": "p-norm", diff --git a/example/molecule.json b/example/molecule.json index eda38e905..82f46840b 100644 --- a/example/molecule.json +++ b/example/molecule.json @@ -65,14 +65,6 @@ }, "units": "angstrom" }, - { - "name": "symmetry", - "spaceGroupSymbol": "Fd-3m", - "tolerance": { - "units": "angstrom", - "value": 0.3 - } - }, { "degree": 10, "name": "p-norm", diff --git a/example/properties_directory/structural/symmetry.json b/example/properties_directory/structural/symmetry.json deleted file mode 100644 index 7e8e6be76..000000000 --- a/example/properties_directory/structural/symmetry.json +++ /dev/null @@ -1,9 +0,0 @@ -{ - "name": "symmetry", - "pointGroupSymbol": "C2v", - "spaceGroupSymbol": "Fd-3m", - "tolerance": { - "units": "angstrom", - "value": 0.3 - } -} diff --git a/manifest/properties.yaml b/manifest/properties.yaml index ebfe9b759..eef56e69f 100644 --- a/manifest/properties.yaml +++ b/manifest/properties.yaml @@ -205,11 +205,6 @@ volume: units: angstrom^3 schemaId: properties-directory-structural-volume -symmetry: - defaults: - units: angstrom - schemaId: properties-directory-structural-symmetry - point_group_symmetry: defaults: units: angstrom diff --git a/schema/properties_directory/derived_properties.json b/schema/properties_directory/derived_properties.json index e37f7e3e7..98c652601 100644 --- a/schema/properties_directory/derived_properties.json +++ b/schema/properties_directory/derived_properties.json @@ -17,9 +17,6 @@ { "ref": "structural/space_group_symmetry.json" }, - { - "ref": "structural/symmetry.json" - }, { "$ref": "structural/elemental_ratio.json" }, diff --git a/schema/properties_directory/structural/symmetry.json b/schema/properties_directory/structural/symmetry.json deleted file mode 100644 index f2f39324a..000000000 --- a/schema/properties_directory/structural/symmetry.json +++ /dev/null @@ -1,35 +0,0 @@ -{ - "schemaId": "properties-directory-structural-symmetry", - "$schema": "http://json-schema.org/draft-04/schema#", - "title": "symmetry schema", - "properties": { - "pointGroupSymbol": { - "description": "point group symbol in Schoenflies notation", - "type": "string" - }, - "spaceGroupSymbol": { - "description": "space group symbol in Hermann\u2013Mauguin notation", - "type": "string" - }, - "tolerance": { - "description": "tolerance used for symmetry calculation", - "allOf": [ - { - "$ref": "../../core/primitive/scalar.json" - } - ], - "properties": { - "units": { - "enum": [ - "angstrom" - ] - } - } - }, - "name": { - "enum": [ - "symmetry" - ] - } - } -} From d62594817e1b7c92590212f0ee753e4b7a580377 Mon Sep 17 00:00:00 2001 From: adewyer Date: Wed, 19 Jan 2022 10:59:25 -0800 Subject: [PATCH 10/12] updated name for space group and point group schema based on PR comments --- example/material.json | 16 +++++++-------- example/molecule.json | 16 +++++++-------- .../structural/point_group_symmetry.json | 8 -------- .../structural/space_group_symmetry.json | 8 -------- .../symmetry_symbol_point_group.json | 8 ++++++++ .../symmetry_symbol_space_group.json | 8 ++++++++ manifest/properties.yaml | 8 ++++---- .../derived_properties.json | 4 ++-- ....json => symmetry_symbol_point_group.json} | 20 ++++++++++--------- ....json => symmetry_symbol_space_group.json} | 6 +++--- 10 files changed, 52 insertions(+), 50 deletions(-) delete mode 100644 example/properties_directory/structural/point_group_symmetry.json delete mode 100644 example/properties_directory/structural/space_group_symmetry.json create mode 100644 example/properties_directory/structural/symmetry_symbol_point_group.json create mode 100644 example/properties_directory/structural/symmetry_symbol_space_group.json rename schema/properties_directory/structural/{space_group_symmetry.json => symmetry_symbol_point_group.json} (56%) rename schema/properties_directory/structural/{point_group_symmetry.json => symmetry_symbol_space_group.json} (76%) diff --git a/example/material.json b/example/material.json index 1d837fb82..ef208b16a 100644 --- a/example/material.json +++ b/example/material.json @@ -48,20 +48,20 @@ "value": 2.33 }, { - "name": "point_group_symmetry", + "name": "symmetry_symbol_point_group", "pointGroupSymmetry": "D*h", "tolerance": { - "value": 0.3 - }, - "units": "angstrom" + "value": 0.3, + "units": "angstrom" + } }, { - "name": "space_group_symmetry", + "name": "symmetry_symbol_space_group", "pointGroupSymmetry": "Fd-3m", "tolerance": { - "value": 0.3 - }, - "units": "angstrom" + "value": 0.3, + "units": "angstrom" + } }, { "degree": 10, diff --git a/example/molecule.json b/example/molecule.json index 82f46840b..efe5fe99d 100644 --- a/example/molecule.json +++ b/example/molecule.json @@ -50,20 +50,20 @@ }, "derivedProperties": [ { - "name": "point_group_symmetry", + "name": "symmetry_symbol_point_group", "pointGroupSymmetry": "C2v", "tolerance": { - "value": 0.3 - }, - "units": "angstrom" + "value": 0.3, + "units": "angstrom" + } }, { - "name": "space_group_symmetry", + "name": "symmetry_symbol_space_group", "pointGroupSymmetry": "Pmm2", "tolerance": { - "value": 0.3 - }, - "units": "angstrom" + "value": 0.3, + "units": "angstrom" + } }, { "degree": 10, diff --git a/example/properties_directory/structural/point_group_symmetry.json b/example/properties_directory/structural/point_group_symmetry.json deleted file mode 100644 index 5269ccf68..000000000 --- a/example/properties_directory/structural/point_group_symmetry.json +++ /dev/null @@ -1,8 +0,0 @@ -{ - "name": "point_group_symmetry", - "value": "C2v", - "tolerance": { - "value": 0.3 - }, - "units": "angstrom" -} diff --git a/example/properties_directory/structural/space_group_symmetry.json b/example/properties_directory/structural/space_group_symmetry.json deleted file mode 100644 index dfa30fdc5..000000000 --- a/example/properties_directory/structural/space_group_symmetry.json +++ /dev/null @@ -1,8 +0,0 @@ -{ - "name": "space_group_symmetry", - "value": "Fd-3m", - "tolerance": { - "value": 0.3 - }, - "units": "angstrom" -} diff --git a/example/properties_directory/structural/symmetry_symbol_point_group.json b/example/properties_directory/structural/symmetry_symbol_point_group.json new file mode 100644 index 000000000..dcd77214f --- /dev/null +++ b/example/properties_directory/structural/symmetry_symbol_point_group.json @@ -0,0 +1,8 @@ +{ + "name": "symmetry_symbol_point_group", + "value": "C2v", + "tolerance": { + "value": 0.3, + "units":"angstrom" + } +} diff --git a/example/properties_directory/structural/symmetry_symbol_space_group.json b/example/properties_directory/structural/symmetry_symbol_space_group.json new file mode 100644 index 000000000..00c6f573c --- /dev/null +++ b/example/properties_directory/structural/symmetry_symbol_space_group.json @@ -0,0 +1,8 @@ +{ + "name": "symmetry_symbol_space_group", + "value": "Fd-3m", + "tolerance": { + "value": 0.3, + "units": "angstrom" + } +} diff --git a/manifest/properties.yaml b/manifest/properties.yaml index eef56e69f..c5f642ca1 100644 --- a/manifest/properties.yaml +++ b/manifest/properties.yaml @@ -205,15 +205,15 @@ volume: units: angstrom^3 schemaId: properties-directory-structural-volume -point_group_symmetry: +symmetry_symbol_point_group: defaults: units: angstrom - schemaId: properties-directory-structural-point-group-symmetry + schemaId: properties-directory-structural-symmetry-symbol-point-group -space_group_symmetry: +symmetry_symbol_space_group: defaults: units: angstrom - schemaId: properties-directory-structural-space-group-symmetry + schemaId: properties-directory-structural-symmetry_symbol_space-group elemental_ratio: schemaId: properties-directory-structural-elemental-ratio diff --git a/schema/properties_directory/derived_properties.json b/schema/properties_directory/derived_properties.json index 98c652601..a062fb61c 100644 --- a/schema/properties_directory/derived_properties.json +++ b/schema/properties_directory/derived_properties.json @@ -12,10 +12,10 @@ "$ref": "structural/density.json" }, { - "$ref": "structural/point_group_symmetry.json" + "$ref": "structural/symmetry_symbol_point_group.json" }, { - "ref": "structural/space_group_symmetry.json" + "ref": "structural/symmetry_symbol_space_group.json" }, { "$ref": "structural/elemental_ratio.json" diff --git a/schema/properties_directory/structural/space_group_symmetry.json b/schema/properties_directory/structural/symmetry_symbol_point_group.json similarity index 56% rename from schema/properties_directory/structural/space_group_symmetry.json rename to schema/properties_directory/structural/symmetry_symbol_point_group.json index c76491779..f46b5589c 100644 --- a/schema/properties_directory/structural/space_group_symmetry.json +++ b/schema/properties_directory/structural/symmetry_symbol_point_group.json @@ -1,7 +1,7 @@ { - "schemaId": "properties-directory-structural-space-group-symmetry", + "schemaId": "properties-directory-structural-symmetry-symbol-point-group", "$schema": "http://json-schema.org/draft-04/schema#", - "title": "space group symmetry schema", + "title": "symmetry symbol point group schema", "allOf": [ { "$ref": "../../core/primitive/string.json" @@ -10,12 +10,7 @@ "properties": { "name": { "enum": [ - "space_group_symmetry" - ] - }, - "units": { - "enum": [ - "angstrom" + "symmetry_symbol_point_group" ] }, "tolerance": { @@ -24,7 +19,14 @@ { "$ref": "../../core/primitive/scalar.json" } - ] + ], + "properties": { + "units": { + "enum": [ + "angstrom" + ] + } + } } } } diff --git a/schema/properties_directory/structural/point_group_symmetry.json b/schema/properties_directory/structural/symmetry_symbol_space_group.json similarity index 76% rename from schema/properties_directory/structural/point_group_symmetry.json rename to schema/properties_directory/structural/symmetry_symbol_space_group.json index f674644c4..74d49ed14 100644 --- a/schema/properties_directory/structural/point_group_symmetry.json +++ b/schema/properties_directory/structural/symmetry_symbol_space_group.json @@ -1,7 +1,7 @@ { - "schemaId": "properties-directory-structural-point-group-symmetry", + "schemaId": "properties-directory-structural-symmetry-symbol-space-group", "$schema": "http://json-schema.org/draft-04/schema#", - "title": "point group symmetry schema", + "title": "symmetry symbol space group schema", "allOf": [ { "$ref": "../../core/primitive/string.json" @@ -10,7 +10,7 @@ "properties": { "name": { "enum": [ - "point_group_symmetry" + "symmetry_symbol_space_group" ] }, "units": { From bf01d58d72c6e1dd020d4e45bb139d420b31e5d2 Mon Sep 17 00:00:00 2001 From: adewyer Date: Wed, 19 Jan 2022 11:21:43 -0800 Subject: [PATCH 11/12] update to units placement for space group symmetry schema --- .../structural/symmetry_symbol_space_group.json | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/schema/properties_directory/structural/symmetry_symbol_space_group.json b/schema/properties_directory/structural/symmetry_symbol_space_group.json index 74d49ed14..45c2b7cab 100644 --- a/schema/properties_directory/structural/symmetry_symbol_space_group.json +++ b/schema/properties_directory/structural/symmetry_symbol_space_group.json @@ -13,18 +13,20 @@ "symmetry_symbol_space_group" ] }, - "units": { - "enum": [ - "angstrom" - ] - }, "tolerance": { "description": "tolerance used for symmetry calculation", "allOf": [ { "$ref": "../../core/primitive/scalar.json" } - ] + ], + "properties": { + "units": { + "enum": [ + "angstrom" + ] + } + } } } } From 43183cad37184896a8ee45e4d85b06863fb21985 Mon Sep 17 00:00:00 2001 From: adewyer Date: Wed, 19 Jan 2022 12:05:29 -0800 Subject: [PATCH 12/12] corrected error in properties manifest for space symbol --- manifest/properties.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/manifest/properties.yaml b/manifest/properties.yaml index c5f642ca1..004a7d21f 100644 --- a/manifest/properties.yaml +++ b/manifest/properties.yaml @@ -213,7 +213,7 @@ symmetry_symbol_point_group: symmetry_symbol_space_group: defaults: units: angstrom - schemaId: properties-directory-structural-symmetry_symbol_space-group + schemaId: properties-directory-structural-symmetry-symbol-space-group elemental_ratio: schemaId: properties-directory-structural-elemental-ratio