@mat3ra/wode 2025.11.13-0 → 2025.11.26-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/js/context/providers/BoundaryConditionsFormDataProvider.js +26 -28
- package/dist/js/context/providers/CollinearMagnetizationContextProvider.js +25 -42
- package/dist/js/context/providers/HubbardContextProviderLegacy.js +14 -27
- package/dist/js/context/providers/HubbardJContextProvider.js +28 -35
- package/dist/js/context/providers/HubbardUContextProvider.js +23 -30
- package/dist/js/context/providers/HubbardVContextProvider.js +39 -51
- package/dist/js/context/providers/IonDynamicsContextProvider.js +27 -31
- package/dist/js/context/providers/MLSettingsContextProvider.js +16 -17
- package/dist/js/context/providers/MLTrainTestSplitContextProvider.js +13 -14
- package/dist/js/context/providers/NEBFormDataProvider.js +18 -14
- package/dist/js/context/providers/NonCollinearMagnetizationContextProvider.js +59 -125
- package/dist/js/context/providers/PlanewaveCutoffsContextProvider.js +18 -18
- package/dist/js/context/providers/PointsGridFormDataProvider.js +23 -32
- package/dist/js/context/providers/PointsPathFormDataProvider.js +17 -25
- package/dist/js/context/providers/by_application/ExecutableContextProvider.js +2 -3
- package/dist/js/index.js +113 -0
- package/dist/js/subworkflows/create.js +2 -2
- package/dist/js/units/builders/ExecutionUnitConfigBuilder.js +3 -4
- package/dist/js/units/execution.js +7 -8
- package/dist/js/workflows/index.js +6 -0
- package/dist/js/workflows/workflow.js +1 -1
- package/package.json +6 -7
- package/src/js/context/providers/BoundaryConditionsFormDataProvider.js +19 -27
- package/src/js/context/providers/CollinearMagnetizationContextProvider.js +29 -41
- package/src/js/context/providers/HubbardContextProviderLegacy.js +19 -27
- package/src/js/context/providers/HubbardJContextProvider.js +27 -35
- package/src/js/context/providers/HubbardUContextProvider.js +24 -29
- package/src/js/context/providers/HubbardVContextProvider.js +39 -54
- package/src/js/context/providers/IonDynamicsContextProvider.js +17 -29
- package/src/js/context/providers/MLSettingsContextProvider.js +14 -17
- package/src/js/context/providers/MLTrainTestSplitContextProvider.js +13 -15
- package/src/js/context/providers/NEBFormDataProvider.js +14 -13
- package/src/js/context/providers/NonCollinearMagnetizationContextProvider.js +38 -128
- package/src/js/context/providers/PlanewaveCutoffsContextProvider.js +15 -18
- package/src/js/context/providers/PointsGridFormDataProvider.js +23 -37
- package/src/js/context/providers/PointsPathFormDataProvider.js +19 -21
- package/src/js/context/providers/by_application/ExecutableContextProvider.js +1 -1
- package/src/js/index.js +42 -2
- package/src/js/subworkflows/create.js +1 -1
- package/src/js/units/builders/ExecutionUnitConfigBuilder.js +1 -1
- package/src/js/units/execution.js +1 -2
- package/src/js/workflows/index.js +1 -1
- package/src/js/workflows/workflow.js +1 -1
|
@@ -4,12 +4,17 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.MLTrainTestSplitContextProvider = void 0;
|
|
7
|
-
var
|
|
7
|
+
var _ade = require("@mat3ra/ade");
|
|
8
|
+
var _JSONSchemasInterface = _interopRequireDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
8
9
|
var _ApplicationContextMixin = require("../mixins/ApplicationContextMixin");
|
|
9
10
|
function _interopRequireDefault(e) { return e && e.__esModule ? e : { default: e }; }
|
|
10
|
-
|
|
11
|
+
function _defineProperty(e, r, t) { return (r = _toPropertyKey(r)) in e ? Object.defineProperty(e, r, { value: t, enumerable: !0, configurable: !0, writable: !0 }) : e[r] = t, e; }
|
|
12
|
+
function _toPropertyKey(t) { var i = _toPrimitive(t, "string"); return "symbol" == typeof i ? i : i + ""; }
|
|
13
|
+
function _toPrimitive(t, r) { if ("object" != typeof t || !t) return t; var e = t[Symbol.toPrimitive]; if (void 0 !== e) { var i = e.call(t, r || "default"); if ("object" != typeof i) return i; throw new TypeError("@@toPrimitive must return a primitive value."); } return ("string" === r ? String : Number)(t); }
|
|
14
|
+
class MLTrainTestSplitContextProvider extends _ade.ContextProvider {
|
|
11
15
|
constructor(config) {
|
|
12
16
|
super(config);
|
|
17
|
+
_defineProperty(this, "jsonSchemaId", "context-providers-directory/ml-train-test-split-context-provider");
|
|
13
18
|
this.initApplicationContextMixin();
|
|
14
19
|
}
|
|
15
20
|
|
|
@@ -27,22 +32,16 @@ class MLTrainTestSplitContextProvider extends _ContextProvider.default {
|
|
|
27
32
|
fraction_held_as_test_set: 0.2
|
|
28
33
|
};
|
|
29
34
|
}
|
|
30
|
-
get
|
|
35
|
+
get jsonSchemaPatchConfig() {
|
|
31
36
|
return {
|
|
32
|
-
|
|
33
|
-
|
|
34
|
-
description: "Fraction held as the test set. For example, a value of 0.2 corresponds to an 80/20 train/test split.",
|
|
35
|
-
type: "object",
|
|
36
|
-
properties: {
|
|
37
|
-
fraction_held_as_test_set: {
|
|
38
|
-
type: "number",
|
|
39
|
-
default: this.defaultData.fraction_held_as_test_set,
|
|
40
|
-
minimum: 0,
|
|
41
|
-
maximum: 1
|
|
42
|
-
}
|
|
37
|
+
fraction_held_as_test_set: {
|
|
38
|
+
default: this.defaultData.fraction_held_as_test_set
|
|
43
39
|
}
|
|
44
40
|
};
|
|
45
41
|
}
|
|
42
|
+
get jsonSchema() {
|
|
43
|
+
return _JSONSchemasInterface.default.getPatchedSchemaById(this.jsonSchemaId, this.jsonSchemaPatchConfig);
|
|
44
|
+
}
|
|
46
45
|
}
|
|
47
46
|
exports.MLTrainTestSplitContextProvider = MLTrainTestSplitContextProvider;
|
|
48
47
|
(0, _ApplicationContextMixin.applicationContextMixin)(MLTrainTestSplitContextProvider.prototype);
|
|
@@ -4,15 +4,30 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.NEBFormDataProvider = void 0;
|
|
7
|
-
var
|
|
7
|
+
var _ade = require("@mat3ra/ade");
|
|
8
|
+
var _JSONSchemasInterface = _interopRequireDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
8
9
|
function _interopRequireDefault(e) { return e && e.__esModule ? e : { default: e }; }
|
|
9
|
-
|
|
10
|
+
function _defineProperty(e, r, t) { return (r = _toPropertyKey(r)) in e ? Object.defineProperty(e, r, { value: t, enumerable: !0, configurable: !0, writable: !0 }) : e[r] = t, e; }
|
|
11
|
+
function _toPropertyKey(t) { var i = _toPrimitive(t, "string"); return "symbol" == typeof i ? i : i + ""; }
|
|
12
|
+
function _toPrimitive(t, r) { if ("object" != typeof t || !t) return t; var e = t[Symbol.toPrimitive]; if (void 0 !== e) { var i = e.call(t, r || "default"); if ("object" != typeof i) return i; throw new TypeError("@@toPrimitive must return a primitive value."); } return ("string" === r ? String : Number)(t); }
|
|
13
|
+
class NEBFormDataProvider extends _ade.JSONSchemaFormDataProvider {
|
|
14
|
+
constructor(...args) {
|
|
15
|
+
super(...args);
|
|
16
|
+
_defineProperty(this, "jsonSchemaId", "context-providers-directory/neb-data-provider");
|
|
17
|
+
}
|
|
10
18
|
// eslint-disable-next-line class-methods-use-this
|
|
11
19
|
get defaultData() {
|
|
12
20
|
return {
|
|
13
21
|
nImages: 1
|
|
14
22
|
};
|
|
15
23
|
}
|
|
24
|
+
get jsonSchemaPatchConfig() {
|
|
25
|
+
return {
|
|
26
|
+
nImages: {
|
|
27
|
+
default: this.defaultData.nImages
|
|
28
|
+
}
|
|
29
|
+
};
|
|
30
|
+
}
|
|
16
31
|
|
|
17
32
|
// eslint-disable-next-line class-methods-use-this
|
|
18
33
|
get uiSchema() {
|
|
@@ -21,18 +36,7 @@ class NEBFormDataProvider extends _JSONSchemaFormDataProvider.default {
|
|
|
21
36
|
};
|
|
22
37
|
}
|
|
23
38
|
get jsonSchema() {
|
|
24
|
-
return
|
|
25
|
-
$schema: "http://json-schema.org/draft-07/schema#",
|
|
26
|
-
title: " ",
|
|
27
|
-
description: "Number of intermediate NEB images.",
|
|
28
|
-
type: "object",
|
|
29
|
-
properties: {
|
|
30
|
-
nImages: {
|
|
31
|
-
type: "number",
|
|
32
|
-
default: this.defaultData.nImages
|
|
33
|
-
}
|
|
34
|
-
}
|
|
35
|
-
};
|
|
39
|
+
return _JSONSchemasInterface.default.getPatchedSchemaById(this.jsonSchemaId, this.jsonSchemaPatchConfig);
|
|
36
40
|
}
|
|
37
41
|
}
|
|
38
42
|
exports.NEBFormDataProvider = NEBFormDataProvider;
|
|
@@ -4,13 +4,18 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.NonCollinearMagnetizationContextProvider = void 0;
|
|
7
|
-
var
|
|
7
|
+
var _ade = require("@mat3ra/ade");
|
|
8
|
+
var _JSONSchemasInterface = _interopRequireDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
8
9
|
var _lodash = _interopRequireDefault(require("lodash"));
|
|
9
10
|
var _MaterialContextMixin = require("../mixins/MaterialContextMixin");
|
|
10
11
|
function _interopRequireDefault(e) { return e && e.__esModule ? e : { default: e }; }
|
|
11
|
-
|
|
12
|
+
function _defineProperty(e, r, t) { return (r = _toPropertyKey(r)) in e ? Object.defineProperty(e, r, { value: t, enumerable: !0, configurable: !0, writable: !0 }) : e[r] = t, e; }
|
|
13
|
+
function _toPropertyKey(t) { var i = _toPrimitive(t, "string"); return "symbol" == typeof i ? i : i + ""; }
|
|
14
|
+
function _toPrimitive(t, r) { if ("object" != typeof t || !t) return t; var e = t[Symbol.toPrimitive]; if (void 0 !== e) { var i = e.call(t, r || "default"); if ("object" != typeof i) return i; throw new TypeError("@@toPrimitive must return a primitive value."); } return ("string" === r ? String : Number)(t); }
|
|
15
|
+
class NonCollinearMagnetizationContextProvider extends _ade.JSONSchemaFormDataProvider {
|
|
12
16
|
constructor(config) {
|
|
13
17
|
super(config);
|
|
18
|
+
_defineProperty(this, "jsonSchemaId", "context-providers-directory/non-collinear-magnetization-context-provider");
|
|
14
19
|
this.initMaterialContextMixin();
|
|
15
20
|
this.isStartingMagnetization = _lodash.default.get(this.data, "isStartingMagnetization", true);
|
|
16
21
|
this.isConstrainedMagnetization = _lodash.default.get(this.data, "isConstrainedMagnetization", false);
|
|
@@ -121,133 +126,62 @@ class NonCollinearMagnetizationContextProvider extends _JSONSchemaFormDataProvid
|
|
|
121
126
|
}
|
|
122
127
|
};
|
|
123
128
|
}
|
|
124
|
-
get
|
|
129
|
+
get jsonSchemaPatchConfig() {
|
|
125
130
|
return {
|
|
126
|
-
|
|
127
|
-
|
|
128
|
-
|
|
129
|
-
|
|
130
|
-
|
|
131
|
-
|
|
132
|
-
|
|
133
|
-
|
|
134
|
-
|
|
135
|
-
|
|
136
|
-
|
|
137
|
-
|
|
138
|
-
|
|
139
|
-
|
|
140
|
-
|
|
141
|
-
|
|
142
|
-
|
|
143
|
-
|
|
144
|
-
|
|
145
|
-
|
|
146
|
-
|
|
147
|
-
|
|
148
|
-
|
|
149
|
-
|
|
150
|
-
|
|
151
|
-
|
|
152
|
-
|
|
153
|
-
|
|
154
|
-
|
|
155
|
-
|
|
156
|
-
|
|
157
|
-
|
|
158
|
-
|
|
159
|
-
|
|
160
|
-
|
|
161
|
-
|
|
162
|
-
|
|
163
|
-
|
|
164
|
-
|
|
165
|
-
|
|
166
|
-
|
|
167
|
-
|
|
168
|
-
|
|
169
|
-
|
|
170
|
-
|
|
171
|
-
|
|
172
|
-
|
|
173
|
-
|
|
174
|
-
type: "boolean",
|
|
175
|
-
title: "Set spin directions",
|
|
176
|
-
default: false
|
|
177
|
-
},
|
|
178
|
-
spinAngles: {
|
|
179
|
-
type: "array",
|
|
180
|
-
minItems: this.uniqueElementsWithLabels.length,
|
|
181
|
-
maxItems: this.uniqueElementsWithLabels.length,
|
|
182
|
-
items: {
|
|
183
|
-
type: "object",
|
|
184
|
-
properties: {
|
|
185
|
-
atomicSpecies: {
|
|
186
|
-
type: "string",
|
|
187
|
-
title: "Atomic species"
|
|
188
|
-
},
|
|
189
|
-
angle1: {
|
|
190
|
-
type: "number",
|
|
191
|
-
title: "Angle1 (deg)",
|
|
192
|
-
default: 0.0
|
|
193
|
-
},
|
|
194
|
-
angle2: {
|
|
195
|
-
type: "number",
|
|
196
|
-
title: "Angle2 (deg)",
|
|
197
|
-
default: 0.0
|
|
198
|
-
}
|
|
199
|
-
}
|
|
200
|
-
}
|
|
201
|
-
},
|
|
202
|
-
isConstrainedMagnetization: {
|
|
203
|
-
type: "boolean",
|
|
204
|
-
title: "Set constrained magnetization",
|
|
205
|
-
default: false
|
|
206
|
-
},
|
|
207
|
-
constrainedMagnetization: {
|
|
208
|
-
type: "object",
|
|
209
|
-
properties: {
|
|
210
|
-
constrainType: {
|
|
211
|
-
type: "string",
|
|
212
|
-
title: "Constrain type",
|
|
213
|
-
enum: ["none", "total", "atomic", "total direction", "atomic direction"],
|
|
214
|
-
default: "atomic direction"
|
|
215
|
-
},
|
|
216
|
-
lambda: {
|
|
217
|
-
type: "number",
|
|
218
|
-
title: "lambda",
|
|
219
|
-
default: 0.0
|
|
220
|
-
}
|
|
221
|
-
}
|
|
222
|
-
},
|
|
223
|
-
isFixedMagnetization: {
|
|
224
|
-
type: "boolean",
|
|
225
|
-
title: "Set Fixed magnetization (only applicable to constrained magnetization of 'total' type)",
|
|
226
|
-
default: true
|
|
227
|
-
},
|
|
228
|
-
fixedMagnetization: {
|
|
229
|
-
type: "object",
|
|
230
|
-
properties: {
|
|
231
|
-
x: {
|
|
232
|
-
type: "number",
|
|
233
|
-
title: "X-component",
|
|
234
|
-
default: 0.0
|
|
235
|
-
},
|
|
236
|
-
y: {
|
|
237
|
-
type: "number",
|
|
238
|
-
title: "Y-component",
|
|
239
|
-
default: 0.0
|
|
240
|
-
},
|
|
241
|
-
z: {
|
|
242
|
-
type: "number",
|
|
243
|
-
title: "Z-component",
|
|
244
|
-
default: 0.0
|
|
245
|
-
}
|
|
246
|
-
}
|
|
247
|
-
}
|
|
131
|
+
isExistingChargeDensity: {
|
|
132
|
+
default: false
|
|
133
|
+
},
|
|
134
|
+
isStartingMagnetization: {
|
|
135
|
+
default: true
|
|
136
|
+
},
|
|
137
|
+
isArbitrarySpinAngle: {
|
|
138
|
+
default: false
|
|
139
|
+
},
|
|
140
|
+
isConstrainedMagnetization: {
|
|
141
|
+
default: false
|
|
142
|
+
},
|
|
143
|
+
isFixedMagnetization: {
|
|
144
|
+
default: true
|
|
145
|
+
},
|
|
146
|
+
startingMagnetization: {
|
|
147
|
+
minItems: this.uniqueElementsWithLabels.length,
|
|
148
|
+
maxItems: this.uniqueElementsWithLabels.length
|
|
149
|
+
},
|
|
150
|
+
"startingMagnetization.items.properties.value": {
|
|
151
|
+
default: 0.0,
|
|
152
|
+
minimum: -1.0,
|
|
153
|
+
maximum: 1.0
|
|
154
|
+
},
|
|
155
|
+
spinAngles: {
|
|
156
|
+
minItems: this.uniqueElementsWithLabels.length,
|
|
157
|
+
maxItems: this.uniqueElementsWithLabels.length
|
|
158
|
+
},
|
|
159
|
+
"spinAngles.items.properties.angle1": {
|
|
160
|
+
default: 0.0
|
|
161
|
+
},
|
|
162
|
+
"spinAngles.items.properties.angle2": {
|
|
163
|
+
default: 0.0
|
|
164
|
+
},
|
|
165
|
+
"constrainedMagnetization.properties.constrainType": {
|
|
166
|
+
default: "atomic direction"
|
|
167
|
+
},
|
|
168
|
+
"constrainedMagnetization.properties.lambda": {
|
|
169
|
+
default: 0.0
|
|
170
|
+
},
|
|
171
|
+
"fixedMagnetization.properties.x": {
|
|
172
|
+
default: 0.0
|
|
173
|
+
},
|
|
174
|
+
"fixedMagnetization.properties.y": {
|
|
175
|
+
default: 0.0
|
|
176
|
+
},
|
|
177
|
+
"fixedMagnetization.properties.z": {
|
|
178
|
+
default: 0.0
|
|
248
179
|
}
|
|
249
180
|
};
|
|
250
181
|
}
|
|
182
|
+
get jsonSchema() {
|
|
183
|
+
return _JSONSchemasInterface.default.getPatchedSchemaById(this.jsonSchemaId, this.jsonSchemaPatchConfig);
|
|
184
|
+
}
|
|
251
185
|
}
|
|
252
186
|
exports.NonCollinearMagnetizationContextProvider = NonCollinearMagnetizationContextProvider;
|
|
253
187
|
(0, _MaterialContextMixin.materialContextMixin)(NonCollinearMagnetizationContextProvider.prototype);
|
|
@@ -4,9 +4,13 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.PlanewaveCutoffsContextProvider = void 0;
|
|
7
|
-
var
|
|
7
|
+
var _ade = require("@mat3ra/ade");
|
|
8
|
+
var _JSONSchemasInterface = _interopRequireDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
8
9
|
var _ApplicationContextMixin = require("../mixins/ApplicationContextMixin");
|
|
9
10
|
function _interopRequireDefault(e) { return e && e.__esModule ? e : { default: e }; }
|
|
11
|
+
function _defineProperty(e, r, t) { return (r = _toPropertyKey(r)) in e ? Object.defineProperty(e, r, { value: t, enumerable: !0, configurable: !0, writable: !0 }) : e[r] = t, e; }
|
|
12
|
+
function _toPropertyKey(t) { var i = _toPrimitive(t, "string"); return "symbol" == typeof i ? i : i + ""; }
|
|
13
|
+
function _toPrimitive(t, r) { if ("object" != typeof t || !t) return t; var e = t[Symbol.toPrimitive]; if (void 0 !== e) { var i = e.call(t, r || "default"); if ("object" != typeof i) return i; throw new TypeError("@@toPrimitive must return a primitive value."); } return ("string" === r ? String : Number)(t); }
|
|
10
14
|
const cutoffConfig = {
|
|
11
15
|
vasp: {},
|
|
12
16
|
// assuming default cutoffs for VASP
|
|
@@ -16,9 +20,10 @@ const cutoffConfig = {
|
|
|
16
20
|
density: 200
|
|
17
21
|
}
|
|
18
22
|
};
|
|
19
|
-
class PlanewaveCutoffsContextProvider extends
|
|
23
|
+
class PlanewaveCutoffsContextProvider extends _ade.ContextProvider {
|
|
20
24
|
constructor(config) {
|
|
21
25
|
super(config);
|
|
26
|
+
_defineProperty(this, "jsonSchemaId", "context-providers-directory/planewave-cutoffs-context-provider");
|
|
22
27
|
this.initApplicationContextMixin();
|
|
23
28
|
}
|
|
24
29
|
|
|
@@ -35,6 +40,16 @@ class PlanewaveCutoffsContextProvider extends _ContextProvider.default {
|
|
|
35
40
|
density: this.defaultECUTRHO
|
|
36
41
|
};
|
|
37
42
|
}
|
|
43
|
+
get jsonSchemaPatchConfig() {
|
|
44
|
+
return {
|
|
45
|
+
wavefunction: {
|
|
46
|
+
default: this.defaultData.wavefunction
|
|
47
|
+
},
|
|
48
|
+
density: {
|
|
49
|
+
default: this.defaultData.density
|
|
50
|
+
}
|
|
51
|
+
};
|
|
52
|
+
}
|
|
38
53
|
get _cutoffConfigPerApplication() {
|
|
39
54
|
return cutoffConfig[this.application.name];
|
|
40
55
|
}
|
|
@@ -45,22 +60,7 @@ class PlanewaveCutoffsContextProvider extends _ContextProvider.default {
|
|
|
45
60
|
return this._cutoffConfigPerApplication.density || null;
|
|
46
61
|
}
|
|
47
62
|
get jsonSchema() {
|
|
48
|
-
return
|
|
49
|
-
$schema: "http://json-schema.org/draft-07/schema#",
|
|
50
|
-
title: " ",
|
|
51
|
-
description: "Planewave cutoff parameters for electronic wavefunctions and density. Units are specific to simulation engine.",
|
|
52
|
-
type: "object",
|
|
53
|
-
properties: {
|
|
54
|
-
wavefunction: {
|
|
55
|
-
type: "number",
|
|
56
|
-
default: this.defaultECUTWFC
|
|
57
|
-
},
|
|
58
|
-
density: {
|
|
59
|
-
type: "number",
|
|
60
|
-
default: this.defaultECUTRHO
|
|
61
|
-
}
|
|
62
|
-
}
|
|
63
|
-
};
|
|
63
|
+
return _JSONSchemasInterface.default.getPatchedSchemaById(this.jsonSchemaId, this.jsonSchemaPatchConfig);
|
|
64
64
|
}
|
|
65
65
|
}
|
|
66
66
|
exports.PlanewaveCutoffsContextProvider = PlanewaveCutoffsContextProvider;
|
|
@@ -4,17 +4,22 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.PointsGridFormDataProvider = void 0;
|
|
7
|
-
var
|
|
7
|
+
var _ade = require("@mat3ra/ade");
|
|
8
8
|
var _constants = require("@mat3ra/code/dist/js/constants");
|
|
9
9
|
var _math = require("@mat3ra/code/dist/js/math");
|
|
10
|
+
var _JSONSchemasInterface = _interopRequireDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
10
11
|
var _made = require("@mat3ra/made");
|
|
11
12
|
var _lodash = _interopRequireDefault(require("lodash"));
|
|
12
13
|
var _MaterialContextMixin = require("../mixins/MaterialContextMixin");
|
|
13
14
|
var _settings = require("./settings");
|
|
14
15
|
function _interopRequireDefault(e) { return e && e.__esModule ? e : { default: e }; }
|
|
15
|
-
|
|
16
|
+
function _defineProperty(e, r, t) { return (r = _toPropertyKey(r)) in e ? Object.defineProperty(e, r, { value: t, enumerable: !0, configurable: !0, writable: !0 }) : e[r] = t, e; }
|
|
17
|
+
function _toPropertyKey(t) { var i = _toPrimitive(t, "string"); return "symbol" == typeof i ? i : i + ""; }
|
|
18
|
+
function _toPrimitive(t, r) { if ("object" != typeof t || !t) return t; var e = t[Symbol.toPrimitive]; if (void 0 !== e) { var i = e.call(t, r || "default"); if ("object" != typeof i) return i; throw new TypeError("@@toPrimitive must return a primitive value."); } return ("string" === r ? String : Number)(t); }
|
|
19
|
+
class PointsGridFormDataProvider extends _ade.JSONSchemaFormDataProvider {
|
|
16
20
|
constructor(config) {
|
|
17
21
|
super(config);
|
|
22
|
+
_defineProperty(this, "jsonSchemaId", "context-providers-directory/points-grid-data-provider");
|
|
18
23
|
this.initMaterialContextMixin();
|
|
19
24
|
this._divisor = config.divisor || 1; // KPPRA will be divided by this number
|
|
20
25
|
this.reciprocalLattice = new _made.Made.ReciprocalLattice(this.material.lattice);
|
|
@@ -87,50 +92,34 @@ class PointsGridFormDataProvider extends _JSONSchemaFormDataProvider.default {
|
|
|
87
92
|
get reciprocalVectorRatios() {
|
|
88
93
|
return this.reciprocalLattice.reciprocalVectorRatios.map(r => Number(_math.math.numberToPrecision(r, 3)));
|
|
89
94
|
}
|
|
90
|
-
get
|
|
91
|
-
|
|
92
|
-
type: "array",
|
|
93
|
-
items: {
|
|
94
|
-
type: "number"
|
|
95
|
-
},
|
|
96
|
-
minItems: 3,
|
|
97
|
-
maxItems: 3
|
|
98
|
-
};
|
|
95
|
+
get jsonSchemaPatchConfig() {
|
|
96
|
+
// Helper function to create vector schema with defaults
|
|
99
97
|
const vector_ = (defaultValue, isStringType = false) => {
|
|
100
98
|
const isArray = Array.isArray(defaultValue);
|
|
101
99
|
return {
|
|
102
|
-
|
|
100
|
+
type: "array",
|
|
103
101
|
items: {
|
|
104
102
|
type: isStringType ? "string" : "number",
|
|
105
103
|
...(isArray ? {} : {
|
|
106
104
|
default: defaultValue
|
|
107
105
|
})
|
|
108
106
|
},
|
|
107
|
+
minItems: 3,
|
|
108
|
+
maxItems: 3,
|
|
109
109
|
...(isArray ? {
|
|
110
110
|
default: defaultValue
|
|
111
111
|
} : {})
|
|
112
112
|
};
|
|
113
113
|
};
|
|
114
114
|
return {
|
|
115
|
-
|
|
116
|
-
|
|
117
|
-
|
|
118
|
-
|
|
119
|
-
|
|
120
|
-
shifts: vector_(this.getDefaultShift()),
|
|
121
|
-
reciprocalVectorRatios: vector_(this.reciprocalVectorRatios),
|
|
122
|
-
gridMetricType: {
|
|
123
|
-
type: "string",
|
|
124
|
-
enum: ["KPPRA", "spacing"],
|
|
125
|
-
default: "KPPRA"
|
|
126
|
-
},
|
|
127
|
-
gridMetricValue: {
|
|
128
|
-
type: "number"
|
|
129
|
-
},
|
|
130
|
-
preferGridMetric: {
|
|
131
|
-
type: "boolean"
|
|
132
|
-
}
|
|
115
|
+
dimensions: vector_(this._defaultDimensions, this.isUsingJinjaVariables),
|
|
116
|
+
shifts: vector_(this.getDefaultShift()),
|
|
117
|
+
reciprocalVectorRatios: vector_(this.reciprocalVectorRatios),
|
|
118
|
+
gridMetricType: {
|
|
119
|
+
default: "KPPRA"
|
|
133
120
|
},
|
|
121
|
+
description: `3D grid with shifts. Default min value for ${this._metricDescription[this.gridMetricType]} is ${this._getDefaultGridMetricValue(this.gridMetricType)}.`,
|
|
122
|
+
required: ["dimensions", "shifts"],
|
|
134
123
|
dependencies: {
|
|
135
124
|
gridMetricType: {
|
|
136
125
|
oneOf: [{
|
|
@@ -169,10 +158,12 @@ class PointsGridFormDataProvider extends _JSONSchemaFormDataProvider.default {
|
|
|
169
158
|
}
|
|
170
159
|
}]
|
|
171
160
|
}
|
|
172
|
-
}
|
|
173
|
-
required: ["dimensions", "shifts"]
|
|
161
|
+
}
|
|
174
162
|
};
|
|
175
163
|
}
|
|
164
|
+
get jsonSchema() {
|
|
165
|
+
return _JSONSchemasInterface.default.getPatchedSchemaById(this.jsonSchemaId, this.jsonSchemaPatchConfig);
|
|
166
|
+
}
|
|
176
167
|
get uiSchema() {
|
|
177
168
|
const _arraySubStyle = (emptyValue = 0) => {
|
|
178
169
|
return {
|
|
@@ -4,21 +4,23 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.PointsPathFormDataProvider = exports.ExplicitPointsPathFormDataProvider = exports.ExplicitPointsPath2PIBAFormDataProvider = void 0;
|
|
7
|
-
var
|
|
7
|
+
var _ade = require("@mat3ra/ade");
|
|
8
8
|
var _math = require("@mat3ra/code/dist/js/math");
|
|
9
|
+
var _JSONSchemasInterface = _interopRequireDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
|
|
9
10
|
var _made = require("@mat3ra/made");
|
|
10
11
|
var _underscore = _interopRequireDefault(require("underscore.string"));
|
|
11
12
|
var _ApplicationContextMixin = require("../mixins/ApplicationContextMixin");
|
|
12
13
|
var _MaterialContextMixin = require("../mixins/MaterialContextMixin");
|
|
13
14
|
function _interopRequireDefault(e) { return e && e.__esModule ? e : { default: e }; }
|
|
14
|
-
|
|
15
|
-
|
|
16
|
-
|
|
15
|
+
function _defineProperty(e, r, t) { return (r = _toPropertyKey(r)) in e ? Object.defineProperty(e, r, { value: t, enumerable: !0, configurable: !0, writable: !0 }) : e[r] = t, e; }
|
|
16
|
+
function _toPropertyKey(t) { var i = _toPrimitive(t, "string"); return "symbol" == typeof i ? i : i + ""; }
|
|
17
|
+
function _toPrimitive(t, r) { if ("object" != typeof t || !t) return t; var e = t[Symbol.toPrimitive]; if (void 0 !== e) { var i = e.call(t, r || "default"); if ("object" != typeof i) return i; throw new TypeError("@@toPrimitive must return a primitive value."); } return ("string" === r ? String : Number)(t); } /* eslint-disable max-classes-per-file */ /* eslint react/prop-types: 0 */
|
|
17
18
|
const defaultPoint = "Г";
|
|
18
19
|
const defaultSteps = 10;
|
|
19
|
-
class PointsPathFormDataProvider extends
|
|
20
|
+
class PointsPathFormDataProvider extends _ade.JSONSchemaFormDataProvider {
|
|
20
21
|
constructor(config) {
|
|
21
22
|
super(config);
|
|
23
|
+
_defineProperty(this, "jsonSchemaId", "context-providers-directory/points-path-data-provider");
|
|
22
24
|
this.initMaterialContextMixin();
|
|
23
25
|
this.initApplicationContextMixin();
|
|
24
26
|
this.reciprocalLattice = new _made.Made.ReciprocalLattice(this.material.lattice);
|
|
@@ -33,31 +35,21 @@ class PointsPathFormDataProvider extends _JSONSchemaFormDataProvider.default {
|
|
|
33
35
|
get symmetryPointsFromMaterial() {
|
|
34
36
|
return this.reciprocalLattice.symmetryPoints;
|
|
35
37
|
}
|
|
36
|
-
get
|
|
37
|
-
// no need to pass context to get symmetry points on client
|
|
38
|
+
get jsonSchemaPatchConfig() {
|
|
38
39
|
const points = [].concat(this.symmetryPoints).map(x => x.point);
|
|
39
40
|
return {
|
|
40
|
-
|
|
41
|
-
|
|
42
|
-
|
|
43
|
-
type: "array",
|
|
44
|
-
items: {
|
|
45
|
-
type: "object",
|
|
46
|
-
properties: {
|
|
47
|
-
point: {
|
|
48
|
-
type: "string",
|
|
49
|
-
default: defaultPoint,
|
|
50
|
-
enum: points
|
|
51
|
-
},
|
|
52
|
-
steps: {
|
|
53
|
-
type: "integer",
|
|
54
|
-
default: defaultSteps
|
|
55
|
-
}
|
|
56
|
-
}
|
|
41
|
+
"items.properties.point": {
|
|
42
|
+
default: defaultPoint,
|
|
43
|
+
enum: points
|
|
57
44
|
},
|
|
58
|
-
|
|
45
|
+
"items.properties.steps": {
|
|
46
|
+
default: defaultSteps
|
|
47
|
+
}
|
|
59
48
|
};
|
|
60
49
|
}
|
|
50
|
+
get jsonSchema() {
|
|
51
|
+
return _JSONSchemasInterface.default.getPatchedSchemaById(this.jsonSchemaId, this.jsonSchemaPatchConfig);
|
|
52
|
+
}
|
|
61
53
|
|
|
62
54
|
// eslint-disable-next-line class-methods-use-this
|
|
63
55
|
get uiSchema() {
|
|
@@ -4,9 +4,8 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.default = void 0;
|
|
7
|
-
var
|
|
8
|
-
|
|
9
|
-
class ExecutableContextProvider extends _ContextProvider.default {
|
|
7
|
+
var _ade = require("@mat3ra/ade");
|
|
8
|
+
class ExecutableContextProvider extends _ade.ContextProvider {
|
|
10
9
|
constructor(config) {
|
|
11
10
|
super({
|
|
12
11
|
...config,
|