Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

add HfO2 and NbS2, NbSe2 #20

Merged
merged 5 commits into from
Dec 27, 2024
Merged

add HfO2 and NbS2, NbSe2 #20

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
5 commits
Select commit Hold shift + click to select a range
1b87f18
update: add NbS and NbSe
VsevolodX Dec 27, 2024
7e182b3
update: add more HfO2
VsevolodX Dec 27, 2024
b679586
update: build materials
VsevolodX Dec 27, 2024
6214a77
update: build materials
VsevolodX Dec 27, 2024
f8b9263
fix: commit dist recreated with node v20
VsevolodX Dec 27, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
11 changes: 5 additions & 6 deletions dist/js/application.js
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,13 +1,12 @@
"use strict";
var __importDefault =
(this && this.__importDefault) ||
function (mod) {
return mod && mod.__esModule ? mod : { default: mod };
};
var __importDefault = (this && this.__importDefault) || function (mod) {
return (mod && mod.__esModule) ? mod : { "default": mod };
};
Object.defineProperty(exports, "__esModule", { value: true });
exports.ApplicationStandata = void 0;
const base_1 = require("./base");
const applications_json_1 = __importDefault(require("./runtime_data/applications.json"));
class ApplicationStandata extends base_1.Standata {}
class ApplicationStandata extends base_1.Standata {
}
exports.ApplicationStandata = ApplicationStandata;
ApplicationStandata.runtimeData = applications_json_1.default;
16 changes: 4 additions & 12 deletions dist/js/base.js
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -31,7 +31,8 @@ class Standata {
for (const category of categories_) {
if (category in lookupTable) {
lookupTable[category].add(filename);
} else {
}
else {
lookupTable[category] = new Set([filename]);
}
}
Expand All @@ -41,11 +42,7 @@ class Standata {
loadEntity(filename) {
var _a, _b;
const ctor = this.constructor;
return (_b =
(_a = ctor.runtimeData) === null || _a === void 0 ? void 0 : _a.filesMapByName) ===
null || _b === void 0
? void 0
: _b[filename];
return (_b = (_a = ctor.runtimeData) === null || _a === void 0 ? void 0 : _a.filesMapByName) === null || _b === void 0 ? void 0 : _b[filename];
}
filterByCategories(...categories) {
if (!categories.length) {
Expand All @@ -54,12 +51,7 @@ class Standata {
let filenames = this.entities.map((e) => e.filename);
// eslint-disable-next-line no-restricted-syntax
for (const category of categories) {
filenames = filenames.filter((f) => {
var _a;
return (_a = this.lookupTable[category]) === null || _a === void 0
? void 0
: _a.has(f);
});
filenames = filenames.filter((f) => { var _a; return (_a = this.lookupTable[category]) === null || _a === void 0 ? void 0 : _a.has(f); });
}
return filenames;
}
Expand Down
72 changes: 26 additions & 46 deletions dist/js/cli.js
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,50 +1,30 @@
"use strict";
var __createBinding =
(this && this.__createBinding) ||
(Object.create
? function (o, m, k, k2) {
if (k2 === undefined) k2 = k;
var desc = Object.getOwnPropertyDescriptor(m, k);
if (!desc || ("get" in desc ? !m.__esModule : desc.writable || desc.configurable)) {
desc = {
enumerable: true,
get: function () {
return m[k];
},
};
}
Object.defineProperty(o, k2, desc);
}
: function (o, m, k, k2) {
if (k2 === undefined) k2 = k;
o[k2] = m[k];
});
var __setModuleDefault =
(this && this.__setModuleDefault) ||
(Object.create
? function (o, v) {
Object.defineProperty(o, "default", { enumerable: true, value: v });
}
: function (o, v) {
o["default"] = v;
});
var __importStar =
(this && this.__importStar) ||
function (mod) {
if (mod && mod.__esModule) return mod;
var result = {};
if (mod != null)
for (var k in mod)
if (k !== "default" && Object.prototype.hasOwnProperty.call(mod, k))
__createBinding(result, mod, k);
__setModuleDefault(result, mod);
return result;
};
var __importDefault =
(this && this.__importDefault) ||
function (mod) {
return mod && mod.__esModule ? mod : { default: mod };
};
var __createBinding = (this && this.__createBinding) || (Object.create ? (function(o, m, k, k2) {
if (k2 === undefined) k2 = k;
var desc = Object.getOwnPropertyDescriptor(m, k);
if (!desc || ("get" in desc ? !m.__esModule : desc.writable || desc.configurable)) {
desc = { enumerable: true, get: function() { return m[k]; } };
}
Object.defineProperty(o, k2, desc);
}) : (function(o, m, k, k2) {
if (k2 === undefined) k2 = k;
o[k2] = m[k];
}));
var __setModuleDefault = (this && this.__setModuleDefault) || (Object.create ? (function(o, v) {
Object.defineProperty(o, "default", { enumerable: true, value: v });
}) : function(o, v) {
o["default"] = v;
});
var __importStar = (this && this.__importStar) || function (mod) {
if (mod && mod.__esModule) return mod;
var result = {};
if (mod != null) for (var k in mod) if (k !== "default" && Object.prototype.hasOwnProperty.call(mod, k)) __createBinding(result, mod, k);
__setModuleDefault(result, mod);
return result;
};
var __importDefault = (this && this.__importDefault) || function (mod) {
return (mod && mod.__esModule) ? mod : { "default": mod };
};
Object.defineProperty(exports, "__esModule", { value: true });
const cmd_ts_1 = require("cmd-ts");
const fs = __importStar(require("fs"));
Expand Down
42 changes: 6 additions & 36 deletions dist/js/index.js
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,43 +1,13 @@
"use strict";
Object.defineProperty(exports, "__esModule", { value: true });
exports.WorkflowStandata =
exports.PropertyStandata =
exports.ApplicationStandata =
exports.MaterialStandata =
exports.Standata =
void 0;
exports.WorkflowStandata = exports.PropertyStandata = exports.ApplicationStandata = exports.MaterialStandata = exports.Standata = void 0;
var base_1 = require("./base");
Object.defineProperty(exports, "Standata", {
enumerable: true,
get: function () {
return base_1.Standata;
},
});
Object.defineProperty(exports, "Standata", { enumerable: true, get: function () { return base_1.Standata; } });
var material_1 = require("./material");
Object.defineProperty(exports, "MaterialStandata", {
enumerable: true,
get: function () {
return material_1.MaterialStandata;
},
});
Object.defineProperty(exports, "MaterialStandata", { enumerable: true, get: function () { return material_1.MaterialStandata; } });
var application_1 = require("./application");
Object.defineProperty(exports, "ApplicationStandata", {
enumerable: true,
get: function () {
return application_1.ApplicationStandata;
},
});
Object.defineProperty(exports, "ApplicationStandata", { enumerable: true, get: function () { return application_1.ApplicationStandata; } });
var property_1 = require("./property");
Object.defineProperty(exports, "PropertyStandata", {
enumerable: true,
get: function () {
return property_1.PropertyStandata;
},
});
Object.defineProperty(exports, "PropertyStandata", { enumerable: true, get: function () { return property_1.PropertyStandata; } });
var workflow_1 = require("./workflow");
Object.defineProperty(exports, "WorkflowStandata", {
enumerable: true,
get: function () {
return workflow_1.WorkflowStandata;
},
});
Object.defineProperty(exports, "WorkflowStandata", { enumerable: true, get: function () { return workflow_1.WorkflowStandata; } });
105 changes: 105 additions & 0 deletions dist/js/material.d.ts
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -1242,6 +1242,111 @@ export declare class MaterialStandata extends Standata {
};
isNonPeriodic: boolean;
};
"Si-[Silicon_(100)_surface]-TRI_[P1]_2D_[Surface]-[mavrl-si-100].json": {
name: string;
lattice: {
type: string;
a: number;
b: number;
c: number;
alpha: number;
beta: number;
gamma: number;
units: {
length: string;
angle: string;
};
};
basis: {
units: string;
elements: {
id: number;
value: string;
}[];
coordinates: {
id: number;
value: number[];
}[];
};
external: {
id: string;
source: string;
doi: string;
url: string;
origin: boolean;
};
isNonPeriodic: boolean;
};
"NbS2-[Niobium_Disulfide]-HEX_[P6_3%2Fmmc]_3D_[Bulk]-[mp-10033].json": {
name: string;
lattice: {
type: string;
a: number;
b: number;
c: number;
alpha: number;
beta: number;
gamma: number;
units: {
length: string;
angle: string;
};
};
basis: {
units: string;
elements: {
id: number;
value: string;
}[];
coordinates: {
id: number;
value: number[];
}[];
};
external: {
id: string;
source: string;
doi: string;
url: string;
origin: boolean;
};
isNonPeriodic: boolean;
};
"NbSe2-[Niobium_Diselenide]-HEX_[P6_3%2Fmmc]_3D_[Bulk]-[mp-2207].json": {
name: string;
lattice: {
type: string;
a: number;
b: number;
c: number;
alpha: number;
beta: number;
gamma: number;
units: {
length: string;
angle: string;
};
};
basis: {
units: string;
elements: {
id: number;
value: string;
}[];
coordinates: {
id: number;
value: number[];
}[];
};
external: {
id: string;
source: string;
doi: string;
url: string;
origin: boolean;
};
isNonPeriodic: boolean;
};
};
};
}
11 changes: 5 additions & 6 deletions dist/js/material.js
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,13 +1,12 @@
"use strict";
var __importDefault =
(this && this.__importDefault) ||
function (mod) {
return mod && mod.__esModule ? mod : { default: mod };
};
var __importDefault = (this && this.__importDefault) || function (mod) {
return (mod && mod.__esModule) ? mod : { "default": mod };
};
Object.defineProperty(exports, "__esModule", { value: true });
exports.MaterialStandata = void 0;
const base_1 = require("./base");
const materials_json_1 = __importDefault(require("./runtime_data/materials.json"));
class MaterialStandata extends base_1.Standata {}
class MaterialStandata extends base_1.Standata {
}
exports.MaterialStandata = MaterialStandata;
MaterialStandata.runtimeData = materials_json_1.default;
11 changes: 5 additions & 6 deletions dist/js/property.js
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,13 +1,12 @@
"use strict";
var __importDefault =
(this && this.__importDefault) ||
function (mod) {
return mod && mod.__esModule ? mod : { default: mod };
};
var __importDefault = (this && this.__importDefault) || function (mod) {
return (mod && mod.__esModule) ? mod : { "default": mod };
};
Object.defineProperty(exports, "__esModule", { value: true });
exports.PropertyStandata = void 0;
const base_1 = require("./base");
const properties_json_1 = __importDefault(require("./runtime_data/properties.json"));
class PropertyStandata extends base_1.Standata {}
class PropertyStandata extends base_1.Standata {
}
exports.PropertyStandata = PropertyStandata;
PropertyStandata.runtimeData = properties_json_1.default;
2 changes: 1 addition & 1 deletion dist/js/runtime_data/materials.json
View file
Open in desktop

Large diffs are not rendered by default.

Loading
Loading