@mat3ra/esse 2026.1.15-0 → 2026.1.23-0
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/example/properties_directory/non_scalar/wavefunction_amplitude.json +41 -0
- package/dist/js/schema/properties_directory/non_scalar/wavefunction_amplitude.json +91 -0
- package/dist/js/schema/property/holder.json +90 -0
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +56 -0
- package/example/properties_directory/non-scalar/wavefunction_amplitude.json +41 -0
- package/manifest/properties.yaml +10 -0
- package/package.json +2 -2
- package/schema/properties_directory/non-scalar/wavefunction_amplitude.json +41 -0
- package/schema/property/holder.json +3 -0
package/dist/js/types.d.ts
CHANGED
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@@ -47296,6 +47296,35 @@ export interface VibrationalSpectrumPropertySchema {
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xDataArray: (number | number[])[];
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yDataSeries: [number, ...number[]][];
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}
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/** Schema dist/js/schema/properties_directory/non_scalar/wavefunction_amplitude.json */
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export interface WavefunctionAmplitudePropertySchema {
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xAxis: {
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/**
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* label of an axis object
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*/
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label: "coordinate";
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/**
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* units for an axis
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*/
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units?: string;
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};
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yAxis: {
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/**
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* label of an axis object
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*/
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label: "amplitude";
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/**
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* units for an axis
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*/
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units?: string;
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};
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name: "wavefunction_amplitude";
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/**
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* array containing values of x Axis
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*/
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xDataArray: (number | number[])[];
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yDataSeries: [number, ...number[]][];
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}
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/** Schema dist/js/schema/properties_directory/non_scalar/workflow.json */
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export interface WorkflowPropertySchema {
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/**
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@@ -50857,6 +50886,33 @@ export interface PropertyHolderSchema {
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*/
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xDataArray: (number | number[])[];
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yDataSeries: [number, ...number[]][];
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} | {
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xAxis: {
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/**
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* label of an axis object
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*/
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label: "coordinate";
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/**
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* units for an axis
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*/
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units?: string;
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};
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yAxis: {
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/**
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* label of an axis object
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*/
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label: "amplitude";
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/**
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* units for an axis
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*/
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units?: string;
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};
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name: "wavefunction_amplitude";
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/**
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* array containing values of x Axis
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*/
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xDataArray: (number | number[])[];
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yDataSeries: [number, ...number[]][];
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} | {
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xAxis: {
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/**
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@@ -0,0 +1,41 @@
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{
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"yDataSeries": [
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[
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0.0,
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0.1,
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0.3,
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0.5,
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0.7,
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0.9,
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1.0,
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0.9,
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0.7,
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0.5,
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0.1,
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0.0
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]
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],
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"yAxis": {
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"label": "amplitude"
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},
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"xDataArray": [
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-6.0,
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-5.0,
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-3.0,
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-2.0,
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-1.0,
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0.0,
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1.0,
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2.0,
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3.0,
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],
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"xAxis": {
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"label": "coordinate"
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},
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"name": "wavefunction_amplitude"
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}
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package/manifest/properties.yaml
CHANGED
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@@ -157,6 +157,16 @@ potential_profile:
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schemaId: properties-directory/non-scalar/potential-profile
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isResult: true
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wavefunction_amplitude:
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defaults:
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xAxis:
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label: coordinate
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units: angstrom
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yAxis:
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label: amplitude
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schemaId: properties-directory/non-scalar/wavefunction-amplitude
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isResult: true
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charge_density_profile:
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defaults:
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xAxis:
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package/package.json
CHANGED
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@@ -1,6 +1,6 @@
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{
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"name": "@mat3ra/esse",
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-
"version": "2026.1.
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"version": "2026.1.23-0",
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"description": "Mat3ra's Excellent Source of Schemas and Examples (ESSE) for Digital Materials R&D",
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"scripts": {
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"transpile": "tsc -p tsconfig-transpile.json",
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@@ -95,7 +95,7 @@
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},
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"exports": {
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"./dist/js/schema/*.json": "./dist/js/schema/*.json",
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"./dist/js/example/*": "./dist/js/example
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"./dist/js/example/*": "./dist/js/example/*",
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"./dist/js/utils/*": "./dist/js/utils/*.js",
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"./dist/js/esse/*": "./dist/js/esse/*.js",
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"./dist/js/json_include/*": "./dist/js/json_include/*.js",
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@@ -0,0 +1,41 @@
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{
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"$id": "properties-directory/non-scalar/wavefunction-amplitude",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Wavefunction amplitude property schema",
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"type": "object",
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"allOf": [
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{
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"$ref": "../../core/abstract/2d_plot.json"
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}
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],
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"properties": {
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"xAxis": {
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"type": "object",
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"properties": {
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"label": {
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"enum": [
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"coordinate"
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]
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}
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}
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},
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"yAxis": {
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"type": "object",
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"properties": {
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"label": {
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"enum": [
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"amplitude"
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]
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}
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}
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},
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"name": {
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"enum": [
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"wavefunction_amplitude"
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]
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}
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},
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"required": [
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"name"
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]
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}
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