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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/boundary-conditions-data-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Boundary Conditions Provider Schema",
"title": "Boundary Conditions Data Provider Schema",
"type": "object",
"properties": {
"type": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/collinear-magnetization-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Collinear Magnetization Provider Schema",
"title": "Collinear Magnetization Context Provider Schema",
"description": "Set starting magnetization, can have values in the range [-1, +1].",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-j-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard J Provider Schema",
"title": "Hubbard J Context Provider Schema",
"description": "Hubbard parameters for DFT+U+J calculation.",
"type": "array",
"minItems": 1,
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-legacy-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard Legacy Provider Schema",
"title": "Hubbard Legacy Context Provider Schema",
"description": "Hubbard parameters for DFT+U calculation.",
"type": "array",
"uniqueItems": true,
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-u-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard U Provider Schema",
"title": "Hubbard U Context Provider Schema",
"description": "Hubbard U parameters for DFT+U or DFT+U+V calculation.",
"type": "array",
"items": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-v-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard V Provider Schema",
"title": "Hubbard V Context Provider Schema",
"description": "Hubbard V parameters for DFT+U+V calculation.",
"type": "array",
"minItems": 1,
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/ion-dynamics-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Ion Dynamics Provider Schema",
"title": "Ion Dynamics Context Provider Schema",
"description": "Important parameters for molecular dynamics calculation",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/ml-settings-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "ML Settings Provider Schema",
"title": "ML Settings Context Provider Schema",
"description": "Settings important to machine learning runs.",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/ml-train-test-split-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "ML Train Test Split Provider Schema",
"title": "ML Train Test Split Context Provider Schema",
"description": "Fraction held as the test set. For example, a value of 0.2 corresponds to an 80/20 train/test split.",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/neb-data-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "NEB Provider Schema",
"title": "NEB Data Provider Schema",
"description": "Number of intermediate NEB images.",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/non-collinear-magnetization-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Non Collinear Magnetization Provider Schema",
"title": "Non Collinear Magnetization Context Provider Schema",
"description": "Non-collinear magnetization parameters including starting magnetization, spin angles, and constraints.",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/planewave-cutoffs-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Planewave Cutoffs Provider Schema",
"title": "Planewave Cutoffs Context Provider Schema",
"description": "Planewave cutoff parameters for electronic wavefunctions and density. Units are specific to simulation engine.",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/points-grid-data-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Points Grid Provider Schema",
"title": "Points Grid Data Provider Schema",
"description": "3D grid with shifts for k-point or q-point sampling.",
"type": "object",
"properties": {
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/points-path-data-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Points Path Provider Schema",
"title": "Points Path Data Provider Schema",
"description": "Path in reciprocal space for band structure calculations.",
"type": "array",
"minItems": 1,
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2 changes: 1 addition & 1 deletion dist/js/schemas.json

Large diffs are not rendered by default.

28 changes: 14 additions & 14 deletions dist/js/types.d.ts
Original file line number Diff line number Diff line change
Expand Up @@ -2890,7 +2890,7 @@ export declare enum Name {
NWChemInputDataManager = "NWChemInputDataManager"
}
/** Schema dist/js/schema/context_providers_directory/boundary_conditions_data_provider.json */
export interface BoundaryConditionsProviderSchema {
export interface BoundaryConditionsDataProviderSchema {
/**
* If assume_isolated = 'esm', determines the boundary conditions used for either side of the slab.
*/
Expand Down Expand Up @@ -3263,7 +3263,7 @@ export interface VASPNEBContextProviderSchema {
/**
* Set starting magnetization, can have values in the range [-1, +1].
*/
export interface CollinearMagnetizationProviderSchema {
export interface CollinearMagnetizationContextProviderSchema {
startingMagnetization?: {
atomicSpecies?: string;
value?: number;
Expand Down Expand Up @@ -3312,7 +3312,7 @@ export declare enum ContextProviderNameEnum {
*
* @minItems 1
*/
export type HubbardJProviderSchema = [
export type HubbardJContextProviderSchema = [
{
paramType?: "U" | "J" | "B" | "E2" | "E3";
atomicSpecies?: string;
Expand All @@ -3332,7 +3332,7 @@ export type HubbardJProviderSchema = [
*
* @minItems 1
*/
export type HubbardLegacyProviderSchema = [
export type HubbardLegacyContextProviderSchema = [
{
atomicSpecies?: string;
atomicSpeciesIndex?: number;
Expand All @@ -3348,7 +3348,7 @@ export type HubbardLegacyProviderSchema = [
/**
* Hubbard U parameters for DFT+U or DFT+U+V calculation.
*/
export type HubbardUProviderSchema = {
export type HubbardUContextProviderSchema = {
atomicSpecies?: string;
atomicOrbital?: string;
hubbardUValue?: number;
Expand All @@ -3359,7 +3359,7 @@ export type HubbardUProviderSchema = {
*
* @minItems 1
*/
export type HubbardVProviderSchema = [
export type HubbardVContextProviderSchema = [
{
atomicSpecies?: string;
siteIndex?: number;
Expand All @@ -3383,7 +3383,7 @@ export type HubbardVProviderSchema = [
/**
* Important parameters for molecular dynamics calculation
*/
export interface IonDynamicsProviderSchema {
export interface IonDynamicsContextProviderSchema {
numberOfSteps?: number;
timeStep?: number;
electronMass?: number;
Expand All @@ -3393,29 +3393,29 @@ export interface IonDynamicsProviderSchema {
/**
* Settings important to machine learning runs.
*/
export interface MLSettingsProviderSchema {
export interface MLSettingsContextProviderSchema {
target_column_name?: string;
problem_category?: "regression" | "classification" | "clustering";
}
/** Schema dist/js/schema/context_providers_directory/ml_train_test_split_context_provider.json */
/**
* Fraction held as the test set. For example, a value of 0.2 corresponds to an 80/20 train/test split.
*/
export interface MLTrainTestSplitProviderSchema {
export interface MLTrainTestSplitContextProviderSchema {
fraction_held_as_test_set?: number;
}
/** Schema dist/js/schema/context_providers_directory/neb_data_provider.json */
/**
* Number of intermediate NEB images.
*/
export interface NEBProviderSchema {
export interface NEBDataProviderSchema {
nImages?: number;
}
/** Schema dist/js/schema/context_providers_directory/non_collinear_magnetization_context_provider.json */
/**
* Non-collinear magnetization parameters including starting magnetization, spin angles, and constraints.
*/
export interface NonCollinearMagnetizationProviderSchema {
export interface NonCollinearMagnetizationContextProviderSchema {
isExistingChargeDensity?: boolean;
isStartingMagnetization?: boolean;
startingMagnetization?: {
Expand Down Expand Up @@ -3446,15 +3446,15 @@ export interface NonCollinearMagnetizationProviderSchema {
/**
* Planewave cutoff parameters for electronic wavefunctions and density. Units are specific to simulation engine.
*/
export interface PlanewaveCutoffsProviderSchema {
export interface PlanewaveCutoffsContextProviderSchema {
wavefunction?: number;
density?: number;
}
/** Schema dist/js/schema/context_providers_directory/points_grid_data_provider.json */
/**
* 3D grid with shifts for k-point or q-point sampling.
*/
export interface PointsGridProviderSchema {
export interface PointsGridDataProviderSchema {
/**
* @minItems 3
* @maxItems 3
Expand All @@ -3480,7 +3480,7 @@ export interface PointsGridProviderSchema {
*
* @minItems 1
*/
export type PointsPathProviderSchema = [
export type PointsPathDataProviderSchema = [
{
point?: string;
steps?: number;
Expand Down
2 changes: 1 addition & 1 deletion package.json
Original file line number Diff line number Diff line change
Expand Up @@ -6,7 +6,7 @@
"transpile": "tsc -p tsconfig-transpile.json",
"build-schemas": "BUILD_ASSETS=true BUILD_PYTHON_MODULES=true BUILD_PATH='./dist/js' ts-node build_schemas.ts",
"compile-types": "ts-node compile_ts.ts",
"transpile-and-build-assets": "npm run build-schemas && npm run compile-types && npm run transpile",
"transpile-and-build-assets": "npm run set-schema-ids && npm run build-schemas && npm run compile-types && npm run transpile",
"test": "npm run build-schemas && nyc --reporter=text mocha --recursive --timeout 15000 --bail tests/js",
"test-only": "nyc --reporter=text mocha --recursive --bail tests/js",
"lint": "eslint src/js && prettier --write src/js",
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/boundary-conditions-data-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Boundary Conditions Provider Schema",
"title": "Boundary Conditions Data Provider Schema",
"type": "object",
"properties": {
"type": {
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/collinear-magnetization-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Collinear Magnetization Provider Schema",
"title": "Collinear Magnetization Context Provider Schema",
"description": "Set starting magnetization, can have values in the range [-1, +1].",
"type": "object",
"properties": {
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-j-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard J Provider Schema",
"title": "Hubbard J Context Provider Schema",
"description": "Hubbard parameters for DFT+U+J calculation.",
"type": "array",
"minItems": 1,
Expand All @@ -11,7 +11,13 @@
"paramType": {
"type": "string",
"title": "Species",
"enum": ["U", "J", "B", "E2", "E3"]
"enum": [
"U",
"J",
"B",
"E2",
"E3"
]
},
"atomicSpecies": {
"type": "string",
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-legacy-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard Legacy Provider Schema",
"title": "Hubbard Legacy Context Provider Schema",
"description": "Hubbard parameters for DFT+U calculation.",
"type": "array",
"uniqueItems": true,
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-u-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard U Provider Schema",
"title": "Hubbard U Context Provider Schema",
"description": "Hubbard U parameters for DFT+U or DFT+U+V calculation.",
"type": "array",
"items": {
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/hubbard-v-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Hubbard V Provider Schema",
"title": "Hubbard V Context Provider Schema",
"description": "Hubbard V parameters for DFT+U+V calculation.",
"type": "array",
"minItems": 1,
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/ion-dynamics-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Ion Dynamics Provider Schema",
"title": "Ion Dynamics Context Provider Schema",
"description": "Important parameters for molecular dynamics calculation",
"type": "object",
"properties": {
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/ml-settings-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "ML Settings Provider Schema",
"title": "ML Settings Context Provider Schema",
"description": "Settings important to machine learning runs.",
"type": "object",
"properties": {
Expand All @@ -10,7 +10,11 @@
},
"problem_category": {
"type": "string",
"enum": ["regression", "classification", "clustering"]
"enum": [
"regression",
"classification",
"clustering"
]
}
}
}
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/ml-train-test-split-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "ML Train Test Split Provider Schema",
"title": "ML Train Test Split Context Provider Schema",
"description": "Fraction held as the test set. For example, a value of 0.2 corresponds to an 80/20 train/test split.",
"type": "object",
"properties": {
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/neb-data-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "NEB Provider Schema",
"title": "NEB Data Provider Schema",
"description": "Number of intermediate NEB images.",
"type": "object",
"properties": {
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/non-collinear-magnetization-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Non Collinear Magnetization Provider Schema",
"title": "Non Collinear Magnetization Context Provider Schema",
"description": "Non-collinear magnetization parameters including starting magnetization, spin angles, and constraints.",
"type": "object",
"properties": {
Expand Down
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"$id": "context-providers-directory/planewave-cutoffs-context-provider",
"$schema": "http://json-schema.org/draft-07/schema#",
"title": "Planewave Cutoffs Provider Schema",
"title": "Planewave Cutoffs Context Provider Schema",
"description": "Planewave cutoff parameters for electronic wavefunctions and density. Units are specific to simulation engine.",
"type": "object",
"properties": {
Expand Down
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