@mat3ra/made 2025.6.25-0 → 2025.7.15-0

package/dist/js/basis/constrained_basis.d.ts

@@ -37,6 +37,6 @@ export declare class ConstrainedBasis extends Basis {
      * Returns an array with atomic positions (with constraints) per atom stored as strings.
      * E.g., ``` ['Si  0 0 0  0 1 0', 'Li  0.5 0.5 0.5  1 0 1']```
      */
-    getAtomicPositionsWithConstraintsAsStrings(coordinatePrintFormat: string, precision?: number): string[];
+    getAtomicPositionsWithConstraintsAsStrings(coordinatePrintFormat?: string, precision?: number): string[];
     removeAllAtoms(): void;
 }

package/dist/js/lattice/reciprocal/lattice_reciprocal.js

@@ -5,7 +5,6 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.ReciprocalLattice = void 0;
 const constants_1 = require("@mat3ra/code/dist/js/constants");
-const array_almost_equal_1 = __importDefault(require("array-almost-equal"));
 const lodash_1 = __importDefault(require("lodash"));
 const math_1 = __importDefault(require("../../math"));
 const lattice_1 = require("../lattice");
@@ -75,7 +74,7 @@ class ReciprocalLattice extends lattice_1.Lattice {
         const symmPoints = this.symmetryPoints;
         dataPoints.forEach((point, index) => {
             const symmPoint = symmPoints.find((x) => {
-                return (0, array_almost_equal_1.default)(x.coordinates, point, 1e-4);
+                return math_1.default.vEqualWithTolerance(x.coordinates, point, 1e-4);
             });
             if (symmPoint) {
                 kpointPath.push({

package/dist/js/made.d.ts

@@ -1,9 +1,14 @@
 import { Basis } from "./basis/basis";
 import { Cell } from "./cell/cell";
+import { ATOMIC_COORD_UNITS, coefficients, tolerance, units } from "./constants";
 import { AtomicConstraints } from "./constraints/constraints";
-import { Lattice } from "./lattice/lattice";
+import { Lattice, nonPeriodicLatticeScalingFactor } from "./lattice/lattice";
+import { DEFAULT_LATTICE_UNITS, LATTICE_TYPE_CONFIGS } from "./lattice/lattice_types";
 import { ReciprocalLattice } from "./lattice/reciprocal/lattice_reciprocal";
-import { Material } from "./material";
+import { UnitCell } from "./lattice/unit_cell";
+import { defaultMaterialConfig, Material } from "./material";
+import parsers from "./parsers/parsers";
+import tools from "./tools/index";
 export declare const Made: {
     coefficients: {
         EV_TO_RY: number;
@@ -489,6 +494,7 @@ export declare const Made: {
     defaultMaterialConfig: import("@mat3ra/esse/dist/js/types").MaterialSchema;
     Lattice: typeof Lattice;
     Cell: typeof Cell;
+    UnitCell: typeof UnitCell;
     nonPeriodicLatticeScalingFactor: number;
     ReciprocalLattice: typeof ReciprocalLattice;
     Basis: typeof Basis;
@@ -503,7 +509,7 @@ export declare const Made: {
         };
         poscar: {
             isPoscar: (text: string) => boolean;
-            toPoscar: (materialOrConfig: import("./types").MaterialJSON, omitConstraints?: boolean) => string;
+            toPoscar: (materialOrConfig: import("@mat3ra/esse/dist/js/types").MaterialSchema, omitConstraints?: boolean) => string;
             fromPoscar: (fileContent: string) => object;
             atomicConstraintsCharFromBool: (bool: boolean) => string;
             atomsCount: typeof import("./parsers/poscar").atomsCount;
@@ -524,7 +530,7 @@ export declare const Made: {
             generateConfig: (material: Material, millerIndices: import("@mat3ra/esse/dist/js/types").Coordinate3DSchema, numberOfLayers?: number, vx?: number, vy?: number) => import("./tools/surface").SlabConfigSchema;
         };
         supercell: {
-            generateConfig: (material: import("./types").MaterialInterface, supercellMatrix: import("@mat3ra/esse/dist/js/types").Matrix3X3Schema) => {
+            generateConfig: (material: Material, supercellMatrix: import("@mat3ra/esse/dist/js/types").Matrix3X3Schema) => {
                 name: string;
                 basis: import("@mat3ra/esse/dist/js/types").BasisSchema;
                 lattice: import("@mat3ra/esse/dist/js/types").LatticeSchema;
@@ -551,3 +557,5 @@ export declare const Made: {
         };
     };
 };
+export { coefficients, tolerance, units, ATOMIC_COORD_UNITS, Material, defaultMaterialConfig, Lattice, Cell, UnitCell, nonPeriodicLatticeScalingFactor, ReciprocalLattice, Basis, AtomicConstraints, parsers, tools, LATTICE_TYPE_CONFIGS, DEFAULT_LATTICE_UNITS, };
+export type { MaterialInMemoryEntity } from "./materialMixin";

package/dist/js/made.js

@@ -3,18 +3,36 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.Made = void 0;
+exports.DEFAULT_LATTICE_UNITS = exports.LATTICE_TYPE_CONFIGS = exports.tools = exports.parsers = exports.AtomicConstraints = exports.Basis = exports.ReciprocalLattice = exports.nonPeriodicLatticeScalingFactor = exports.UnitCell = exports.Cell = exports.Lattice = exports.defaultMaterialConfig = exports.Material = exports.ATOMIC_COORD_UNITS = exports.units = exports.tolerance = exports.coefficients = exports.Made = void 0;
 const basis_1 = require("./basis/basis");
+Object.defineProperty(exports, "Basis", { enumerable: true, get: function () { return basis_1.Basis; } });
 const cell_1 = require("./cell/cell");
+Object.defineProperty(exports, "Cell", { enumerable: true, get: function () { return cell_1.Cell; } });
 const constants_1 = require("./constants");
+Object.defineProperty(exports, "ATOMIC_COORD_UNITS", { enumerable: true, get: function () { return constants_1.ATOMIC_COORD_UNITS; } });
+Object.defineProperty(exports, "coefficients", { enumerable: true, get: function () { return constants_1.coefficients; } });
+Object.defineProperty(exports, "tolerance", { enumerable: true, get: function () { return constants_1.tolerance; } });
+Object.defineProperty(exports, "units", { enumerable: true, get: function () { return constants_1.units; } });
 const constraints_1 = require("./constraints/constraints");
+Object.defineProperty(exports, "AtomicConstraints", { enumerable: true, get: function () { return constraints_1.AtomicConstraints; } });
 const lattice_1 = require("./lattice/lattice");
+Object.defineProperty(exports, "Lattice", { enumerable: true, get: function () { return lattice_1.Lattice; } });
+Object.defineProperty(exports, "nonPeriodicLatticeScalingFactor", { enumerable: true, get: function () { return lattice_1.nonPeriodicLatticeScalingFactor; } });
 const lattice_types_1 = require("./lattice/lattice_types");
+Object.defineProperty(exports, "DEFAULT_LATTICE_UNITS", { enumerable: true, get: function () { return lattice_types_1.DEFAULT_LATTICE_UNITS; } });
+Object.defineProperty(exports, "LATTICE_TYPE_CONFIGS", { enumerable: true, get: function () { return lattice_types_1.LATTICE_TYPE_CONFIGS; } });
 const lattice_reciprocal_1 = require("./lattice/reciprocal/lattice_reciprocal");
+Object.defineProperty(exports, "ReciprocalLattice", { enumerable: true, get: function () { return lattice_reciprocal_1.ReciprocalLattice; } });
+const unit_cell_1 = require("./lattice/unit_cell");
+Object.defineProperty(exports, "UnitCell", { enumerable: true, get: function () { return unit_cell_1.UnitCell; } });
 const material_1 = require("./material");
+Object.defineProperty(exports, "defaultMaterialConfig", { enumerable: true, get: function () { return material_1.defaultMaterialConfig; } });
+Object.defineProperty(exports, "Material", { enumerable: true, get: function () { return material_1.Material; } });
 const math_1 = __importDefault(require("./math"));
 const parsers_1 = __importDefault(require("./parsers/parsers"));
+exports.parsers = parsers_1.default;
 const index_1 = __importDefault(require("./tools/index"));
+exports.tools = index_1.default;
 exports.Made = {
     coefficients: constants_1.coefficients,
     tolerance: constants_1.tolerance,
@@ -25,6 +43,7 @@ exports.Made = {
     defaultMaterialConfig: material_1.defaultMaterialConfig,
     Lattice: lattice_1.Lattice,
     Cell: cell_1.Cell,
+    UnitCell: unit_cell_1.UnitCell,
     nonPeriodicLatticeScalingFactor: lattice_1.nonPeriodicLatticeScalingFactor,
     ReciprocalLattice: lattice_reciprocal_1.ReciprocalLattice,
     Basis: basis_1.Basis,

package/dist/js/material.d.ts

@@ -1,15 +1,13 @@
-import type { MaterialSchema } from "@mat3ra/esse/dist/js/types";
+import { HasConsistencyChecksHasMetadataNamedDefaultableInMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { ConsistencyCheck, MaterialSchema } from "@mat3ra/esse/dist/js/types";
 import { type MaterialMixinConstructor, defaultMaterialConfig } from "./materialMixin";
 export { defaultMaterialConfig };
-declare const BaseInMemoryEntity: typeof import("@mat3ra/code/dist/js/entity").InMemoryEntity & import("@mat3ra/code/dist/js/entity/mixins/DefaultableMixin").DefaultableInMemoryEntityConstructor & {
-    createDefault<T extends import("@mat3ra/code/dist/js/utils/types").Constructor<import("@mat3ra/code/dist/js/entity").InMemoryEntity> & {
-        defaultConfig?: object | null | undefined;
-    }>(this: T): InstanceType<T> & {
-        isDefault: boolean;
-    };
-} & import("@mat3ra/code/dist/js/entity/mixins/NamedEntityMixin").NamedInMemoryEntityConstructor & import("@mat3ra/code/dist/js/entity/mixins/HasMetadataMixin").HasMetadataInMemoryEntityConstructor & import("@mat3ra/code/dist/js/entity/mixins/HasConsistencyChecksMixin").HasConsistencyChecksInMemoryEntityConstructor;
+declare const BaseInMemoryEntity: typeof HasConsistencyChecksHasMetadataNamedDefaultableInMemoryEntity;
 type BaseMaterial = MaterialMixinConstructor & typeof BaseInMemoryEntity;
+type MaterialSchemaWithConsistencyChecksAsString = Omit<MaterialSchema, "consistencyChecks"> & {
+    consistencyChecks?: ConsistencyCheck[];
+};
 declare const Material_base: BaseMaterial;
-export declare class Material extends Material_base {
+export declare class Material extends Material_base implements MaterialSchemaWithConsistencyChecksAsString {
     constructor(config: MaterialSchema);
 }

package/dist/js/materialMixin.d.ts

@@ -7,18 +7,17 @@ import type { BasisConfig } from "./basis/basis";
 import { type ConstrainedBasisConfig, ConstrainedBasis } from "./basis/constrained_basis";
 import { Constraint } from "./constraints/constraints";
 import { Lattice } from "./lattice/lattice";
-import { MaterialJSON } from "./types";
 export declare const defaultMaterialConfig: MaterialSchema;
 export interface MaterialSchemaJSON extends MaterialSchema, AnyObject {
 }
-type MaterialMixinProps = ReturnType<typeof materialMixin>;
+export type MaterialMixinProps = ReturnType<typeof materialMixin>;
 type MaterialMixinStaticProps = ReturnType<typeof materialMixinStaticProps>;
-export type MaterialMixin = MaterialMixinProps;
+export type MaterialInMemoryEntity = InMemoryEntity & MaterialMixinProps;
 export type MaterialMixinConstructor = Constructor<MaterialMixinProps> & MaterialMixinStaticProps;
 export type OptionallyConstrainedBasisConfig = BasisConfig & Partial<Pick<ConstrainedBasisConfig, "constraints">>;
 type Base = InMemoryEntity & NamedInMemoryEntity;
 export declare function materialMixin<T extends Base = Base>(item: T): {
-    toJSON(): MaterialJSON;
+    toJSON(): MaterialSchema;
     name: string;
     src: FileSourceSchema | undefined;
     updateFormula(): void;

package/dist/js/materialMixin.js

@@ -291,9 +291,9 @@ function materialMixin(item) {
                 return material;
             const conventionalSupercellMatrix = conventional_cell_1.PRIMITIVE_TO_CONVENTIONAL_CELL_MULTIPLIERS[this.Lattice.type];
             const conventionalLatticeType = conventional_cell_1.PRIMITIVE_TO_CONVENTIONAL_CELL_LATTICE_TYPES[this.Lattice.type];
-            const config = supercell_1.default.generateConfig(material, conventionalSupercellMatrix);
+            const config = supercell_1.default.generateConfig(this, conventionalSupercellMatrix);
             config.lattice.type = conventionalLatticeType;
-            config.name = `${material.name} - conventional cell`;
+            config.name = `${this.name} - conventional cell`;
             return new this.constructor(config);
         },
         /**

package/dist/js/parsers/parsers.d.ts

@@ -2,13 +2,13 @@ declare const _default: {
     xyz: {
         validate: typeof import("./xyz").validate;
         fromMaterial: (materialOrConfig: import("@mat3ra/esse/dist/js/types").MaterialSchema, fractional?: boolean) => string;
-        toBasisConfig: (txt: string, units?: string, cell?: import("../cell/cell").Cell) => import("../basis/constrained_basis").ConstrainedBasisConfig;
+        toBasisConfig: (txt: string, units?: string, cell?: import("../made").Cell) => import("../basis/constrained_basis").ConstrainedBasisConfig;
         fromBasis: (basisClsInstance: import("../basis/constrained_basis").ConstrainedBasis, coordinatePrintFormat: string) => string;
         CombinatorialBasis: typeof import("./xyz_combinatorial_basis").CombinatorialBasis;
     };
     poscar: {
         isPoscar: (text: string) => boolean;
-        toPoscar: (materialOrConfig: import("../types").MaterialJSON, omitConstraints?: boolean) => string;
+        toPoscar: (materialOrConfig: import("@mat3ra/esse/dist/js/types").MaterialSchema, omitConstraints?: boolean) => string;
         fromPoscar: (fileContent: string) => object;
         atomicConstraintsCharFromBool: (bool: boolean) => string;
         atomsCount: typeof import("./poscar").atomsCount;

package/dist/js/parsers/poscar.d.ts

@@ -1,10 +1,10 @@
-import { MaterialJSON } from "../types";
+import { MaterialSchema } from "@mat3ra/esse/dist/js/types";
 /**
  * Obtain a textual representation of a material in POSCAR format.
  * @param materialOrConfig - material class instance or config object.
  * @param omitConstraints - whether to discard constraints passed with material.
  */
-declare function toPoscar(materialOrConfig: MaterialJSON, omitConstraints?: boolean): string;
+declare function toPoscar(materialOrConfig: MaterialSchema, omitConstraints?: boolean): string;
 /**
  * @summary calculates the number of atoms in a poscar file based on the summation of the numbers in line 7 of the file.
  * Poscar file formatting: https://www.vasp.at/wiki/index.php/POSCAR

package/dist/js/tools/index.d.ts

@@ -3,12 +3,12 @@ declare const _default: {
         generateConfig: (material: import("../material").Material, millerIndices: import("@mat3ra/esse/dist/js/types").Coordinate3DSchema, numberOfLayers?: number, vx?: number, vy?: number) => import("./surface").SlabConfigSchema;
     };
     supercell: {
-        generateConfig: (material: import("../types").MaterialInterface, supercellMatrix: import("@mat3ra/esse/dist/js/types").Matrix3X3Schema) => {
+        generateConfig: (material: import("../material").Material, supercellMatrix: import("@mat3ra/esse/dist/js/types").Matrix3X3Schema) => {
             name: string;
             basis: import("@mat3ra/esse/dist/js/types").BasisSchema;
             lattice: import("@mat3ra/esse/dist/js/types").LatticeSchema;
         };
-        generateNewBasisWithinSupercell: (basis: import("../basis/basis").Basis | import("../basis/constrained_basis").ConstrainedBasis, cell: import("../cell/cell").Cell, supercell: import("../cell/cell").Cell, supercellMatrix: import("@mat3ra/esse/dist/js/types").Matrix3X3Schema) => import("../basis/basis").Basis;
+        generateNewBasisWithinSupercell: (basis: import("../made").Basis | import("../basis/constrained_basis").ConstrainedBasis, cell: import("../made").Cell, supercell: import("../made").Cell, supercellMatrix: import("@mat3ra/esse/dist/js/types").Matrix3X3Schema) => import("../made").Basis;
     };
     material: {
         scaleOneLatticeVector: (material: import("../material").Material, key?: "a" | "b" | "c", factor?: number) => void;
@@ -16,8 +16,8 @@ declare const _default: {
         translateAtomsToCenter: (material: import("../material").Material) => void;
     };
     basis: {
-        repeat: (basis: import("../basis/basis").Basis, repetitions: number[]) => import("../basis/basis").Basis;
-        interpolate: (initialBasis: import("../basis/basis").Basis, finalBasis: import("../basis/basis").Basis, numberOfSteps?: number) => import("../basis/basis").Basis[];
+        repeat: (basis: import("../made").Basis, repetitions: number[]) => import("../made").Basis;
+        interpolate: (initialBasis: import("../made").Basis, finalBasis: import("../made").Basis, numberOfSteps?: number) => import("../made").Basis[];
     };
 };
 export default _default;

package/dist/js/tools/supercell.d.ts

@@ -2,7 +2,7 @@ import { Matrix3X3Schema } from "@mat3ra/esse/dist/js/types";
 import { Basis } from "../basis/basis";
 import { ConstrainedBasis } from "../basis/constrained_basis";
 import { Cell } from "../cell/cell";
-import { MaterialInterface } from "../types";
+import type { Material } from "../material";
 /**
  * @summary Generates new basis for a supercell. For each site from basis generates shifts that are within supercell.
  */
@@ -12,7 +12,7 @@ declare function generateNewBasisWithinSupercell(basis: Basis | ConstrainedBasis
  * @param material
  * @param supercellMatrix {Number[][]}
  */
-declare function generateConfig(material: MaterialInterface, supercellMatrix: Matrix3X3Schema): {
+declare function generateConfig(material: Material, supercellMatrix: Matrix3X3Schema): {
     name: string;
     basis: import("@mat3ra/esse/dist/js/types").BasisSchema;
     lattice: import("@mat3ra/esse/dist/js/types").LatticeSchema;

package/dist/js/types.d.ts

@@ -1,15 +1 @@
-import { AnyObject } from "@mat3ra/esse/dist/js/esse/types";
-import { MaterialSchema } from "@mat3ra/esse/dist/js/types";
-import { Basis } from "./basis/basis";
-import { ConstrainedBasis } from "./basis/constrained_basis";
-import { Lattice } from "./lattice/lattice";
-export type MaterialJSON = MaterialSchema & AnyObject;
-export interface MaterialInterface {
-    name: string;
-    Basis: Basis | ConstrainedBasis;
-    Lattice: Lattice;
-}
-/**
- * @deprecated Import from './types' directory instead
- */
-export * from './types/material';
+export type { MaterialInMemoryEntity } from "./materialMixin";

package/dist/js/types.js

@@ -1,20 +1,2 @@
 "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 __exportStar = (this && this.__exportStar) || function(m, exports) {
-    for (var p in m) if (p !== "default" && !Object.prototype.hasOwnProperty.call(exports, p)) __createBinding(exports, m, p);
-};
 Object.defineProperty(exports, "__esModule", { value: true });
-/**
- * @deprecated Import from './types' directory instead
- */
-__exportStar(require("./types/material"), exports);

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/made",
-    "version": "2025.6.25-0",
+    "version": "2025.7.15-0",
     "description": "MAterials DEsign library",
     "scripts": {
         "lint": "eslint --cache src/js tests/js && prettier --write src/js tests/js",
@@ -33,7 +33,7 @@
         "@babel/register": "^7.22.15",
         "@babel/runtime-corejs3": "^7.16.8",
         "@exabyte-io/eslint-config": "2025.5.13-0",
-        "@mat3ra/code": "git+https://github.com/Exabyte-io/code.git#3e19f4c9407b61ff04dbd927c62156c7e2dbf999",
+        "@mat3ra/code": "2025.7.15-0",
         "@mat3ra/esse": "2025.5.16-0",
         "@mat3ra/tsconfig": "2024.6.3-0",
         "@mat3ra/utils": "2025.4.14-0",

package/src/js/basis/constrained_basis.ts

@@ -88,7 +88,7 @@ export class ConstrainedBasis extends Basis {
      * E.g., ``` ['Si  0 0 0  0 1 0', 'Li  0.5 0.5 0.5  1 0 1']```
      */
     getAtomicPositionsWithConstraintsAsStrings(
-        coordinatePrintFormat: string,
+        coordinatePrintFormat?: string,
         precision?: number,
     ): string[] {
         const omitConstraints = this._constraints.areUnconstrained;

package/src/js/lattice/reciprocal/lattice_reciprocal.ts

@@ -1,6 +1,5 @@
 import { ATOMIC_COORD_UNITS, units as UNITS } from "@mat3ra/code/dist/js/constants";
 import { Vector3DSchema } from "@mat3ra/esse/dist/js/types";
-import almostEqual from "array-almost-equal";
 import lodash from "lodash";
 
 import math from "../../math";
@@ -108,7 +107,7 @@ export class ReciprocalLattice extends Lattice {
 
         dataPoints.forEach((point: KPointCoordinates, index: number) => {
             const symmPoint: SymmetryPoint | undefined = symmPoints.find((x) => {
-                return almostEqual(x.coordinates, point, 1e-4);
+                return math.vEqualWithTolerance(x.coordinates, point, 1e-4);
             });
             if (symmPoint) {
                 kpointPath.push({

package/src/js/made.ts

@@ -5,6 +5,7 @@ import { AtomicConstraints } from "./constraints/constraints";
 import { Lattice, nonPeriodicLatticeScalingFactor } from "./lattice/lattice";
 import { DEFAULT_LATTICE_UNITS, LATTICE_TYPE_CONFIGS } from "./lattice/lattice_types";
 import { ReciprocalLattice } from "./lattice/reciprocal/lattice_reciprocal";
+import { UnitCell } from "./lattice/unit_cell";
 import { defaultMaterialConfig, Material } from "./material";
 import MadeMath from "./math";
 import parsers from "./parsers/parsers";
@@ -21,6 +22,7 @@ export const Made = {
     defaultMaterialConfig,
     Lattice,
     Cell,
+    UnitCell,
     nonPeriodicLatticeScalingFactor,
     ReciprocalLattice,
     Basis,
@@ -31,3 +33,25 @@ export const Made = {
     LATTICE_TYPE_CONFIGS,
     DEFAULT_LATTICE_UNITS,
 };
+
+export {
+    coefficients,
+    tolerance,
+    units,
+    ATOMIC_COORD_UNITS,
+    Material,
+    defaultMaterialConfig,
+    Lattice,
+    Cell,
+    UnitCell,
+    nonPeriodicLatticeScalingFactor,
+    ReciprocalLattice,
+    Basis,
+    AtomicConstraints,
+    parsers,
+    tools,
+    LATTICE_TYPE_CONFIGS,
+    DEFAULT_LATTICE_UNITS,
+};
+
+export type { MaterialInMemoryEntity } from "./materialMixin";

package/src/js/material.ts

@@ -1,5 +1,5 @@
 import { HasConsistencyChecksHasMetadataNamedDefaultableInMemoryEntity } from "@mat3ra/code/dist/js/entity";
-import type { MaterialSchema } from "@mat3ra/esse/dist/js/types";
+import type { ConsistencyCheck, MaterialSchema } from "@mat3ra/esse/dist/js/types";
 
 import {
     type MaterialMixinConstructor,
@@ -11,9 +11,18 @@ import {
 export { defaultMaterialConfig };
 
 const BaseInMemoryEntity = HasConsistencyChecksHasMetadataNamedDefaultableInMemoryEntity;
+
 type BaseMaterial = MaterialMixinConstructor & typeof BaseInMemoryEntity;
 
-export class Material extends (BaseInMemoryEntity as BaseMaterial) {
+// TODO: remove in-line type creation
+type MaterialSchemaWithConsistencyChecksAsString = Omit<MaterialSchema, "consistencyChecks"> & {
+    consistencyChecks?: ConsistencyCheck[];
+};
+
+export class Material
+    extends (BaseInMemoryEntity as BaseMaterial)
+    implements MaterialSchemaWithConsistencyChecksAsString
+{
     constructor(config: MaterialSchema) {
         super(config);
         materialMixin(this);

package/src/js/materialMixin.ts

@@ -24,7 +24,6 @@ import { Constraint } from "./constraints/constraints";
 import { Lattice } from "./lattice/lattice";
 import parsers from "./parsers/parsers";
 import supercellTools from "./tools/supercell";
-import { MaterialJSON } from "./types";
 
 export const defaultMaterialConfig: MaterialSchema = {
     name: "Silicon FCC",
@@ -69,10 +68,11 @@ export const defaultMaterialConfig: MaterialSchema = {
 
 export interface MaterialSchemaJSON extends MaterialSchema, AnyObject {}
 
-type MaterialMixinProps = ReturnType<typeof materialMixin>;
+export type MaterialMixinProps = ReturnType<typeof materialMixin>;
 type MaterialMixinStaticProps = ReturnType<typeof materialMixinStaticProps>;
 
-export type MaterialMixin = MaterialMixinProps;
+export type MaterialInMemoryEntity = InMemoryEntity & MaterialMixinProps;
+
 export type MaterialMixinConstructor = Constructor<MaterialMixinProps> & MaterialMixinStaticProps;
 
 export type OptionallyConstrainedBasisConfig = BasisConfig &
@@ -84,7 +84,7 @@ export function materialMixin<T extends Base = Base>(item: T) {
     const originalToJSON = item.toJSON.bind(item);
 
     const properties = {
-        toJSON(): MaterialJSON {
+        toJSON(): MaterialSchema {
             return {
                 ...originalToJSON(),
                 lattice: this.Lattice.toJSON(),
@@ -348,19 +348,20 @@ export function materialMixin<T extends Base = Base>(item: T) {
          * Returns a copy of the material with conventional cell constructed instead of primitive.
          */
         getACopyWithConventionalCell(): T {
-            const material = item.clone() as T & typeof properties;
+            const material = item.clone();
 
             // if conventional and primitive cells are the same => return a copy.
-            if (isConventionalCellSameAsPrimitiveForLatticeType(this.Lattice.type)) return material;
+            if (isConventionalCellSameAsPrimitiveForLatticeType(this.Lattice.type))
+                return material as T & typeof properties;
 
             const conventionalSupercellMatrix =
                 PRIMITIVE_TO_CONVENTIONAL_CELL_MULTIPLIERS[this.Lattice.type];
             const conventionalLatticeType =
                 PRIMITIVE_TO_CONVENTIONAL_CELL_LATTICE_TYPES[this.Lattice.type];
-            const config = supercellTools.generateConfig(material, conventionalSupercellMatrix);
+            const config = supercellTools.generateConfig(this as any, conventionalSupercellMatrix);
 
             config.lattice.type = conventionalLatticeType;
-            config.name = `${material.name} - conventional cell`;
+            config.name = `${this.name} - conventional cell`;
 
             return new (this.constructor as any)(config);
         },

package/src/js/parsers/poscar.ts

@@ -1,4 +1,9 @@
-import { BasisSchema, Coordinate3DSchema, Vector3DSchema } from "@mat3ra/esse/dist/js/types";
+import {
+    BasisSchema,
+    Coordinate3DSchema,
+    MaterialSchema,
+    Vector3DSchema,
+} from "@mat3ra/esse/dist/js/types";
 import s from "underscore.string";
 
 import { ConstrainedBasis } from "../basis/constrained_basis";
@@ -9,7 +14,6 @@ import { ATOMIC_COORD_UNITS } from "../constants";
 import { AtomicConstraintValue } from "../constraints/constraints";
 import { Lattice } from "../lattice/lattice";
 import math from "../math";
-import { MaterialJSON } from "../types";
 
 const _print = (x: number, printFormat = "%14.9f") => s.sprintf(printFormat, math.precise(x));
 const _latticeVectorsToString = (vectors: Vector3DSchema[]) =>
@@ -21,7 +25,7 @@ const atomicConstraintsCharFromBool = (bool: boolean): string => (bool ? "T" : "
  * @param materialOrConfig - material class instance or config object.
  * @param omitConstraints - whether to discard constraints passed with material.
  */
-function toPoscar(materialOrConfig: MaterialJSON, omitConstraints = false): string {
+function toPoscar(materialOrConfig: MaterialSchema, omitConstraints = false): string {
     const lattice = new Lattice(materialOrConfig.lattice);
     const vectorsAsString = _latticeVectorsToString(lattice.vectorArrays);
     // @ts-ignore

package/src/js/tools/supercell.ts

@@ -4,8 +4,8 @@ import { Basis } from "../basis/basis";
 import { ConstrainedBasis } from "../basis/constrained_basis";
 import { Cell } from "../cell/cell";
 import { Lattice } from "../lattice/lattice";
+import type { Material } from "../material";
 import math from "../math";
-import { MaterialInterface } from "../types";
 import cellTools from "./cell";
 
 const ADD = math.add;
@@ -55,7 +55,7 @@ function generateNewBasisWithinSupercell(
  * @param material
  * @param supercellMatrix {Number[][]}
  */
-function generateConfig(material: MaterialInterface, supercellMatrix: Matrix3X3Schema) {
+function generateConfig(material: Material, supercellMatrix: Matrix3X3Schema) {
     const det = math.det(supercellMatrix);
     if (det === 0) {
         throw new Error("Scaling matrix is degenerate.");

package/src/js/types/array-almost-equal.d.ts

@@ -1,19 +0,0 @@
-/**
- * Declaration file for the array-almost-equal package
- * Used for comparing arrays of numbers with a specified tolerance
- */
-
-declare module "array-almost-equal" {
-    /**
-     * Compares two arrays of numbers and returns true if all elements are
-     * equal within the specified tolerance
-     *
-     * @param a - First array to compare
-     * @param b - Second array to compare
-     * @param tolerance - The maximum allowed difference between array elements (default: 1e-6)
-     * @returns boolean - True if arrays are almost equal, false otherwise
-     */
-    function almostEqual(a: number[], b: number[], tolerance?: number): boolean;
-
-    export default almostEqual;
-}

package/src/js/types/index.ts

@@ -1 +0,0 @@
-export * from "./material";

package/src/js/types/material.ts

@@ -1,21 +0,0 @@
-import { AnyObject } from "@mat3ra/esse/dist/js/esse/types";
-import { MaterialSchema } from "@mat3ra/esse/dist/js/types";
-
-import { Basis } from "../basis/basis";
-import { ConstrainedBasis } from "../basis/constrained_basis";
-import { Cell } from "../cell/cell";
-
-export type MaterialJSON = MaterialSchema & AnyObject;
-
-/**
- * Interface defining the minimum required properties for a Material
- * when used by other components like the supercell tools.
- * This helps break circular dependencies.
- */
-export interface MaterialInterface {
-    name: string;
-    Basis: Basis | ConstrainedBasis;
-    Lattice: {
-        vectors: Cell;
-    };
-}

package/src/js/types.ts

@@ -1,20 +0,0 @@
-import { AnyObject } from "@mat3ra/esse/dist/js/esse/types";
-import { MaterialSchema } from "@mat3ra/esse/dist/js/types";
-
-import { Basis } from "./basis/basis";
-import { ConstrainedBasis } from "./basis/constrained_basis";
-import { Lattice } from "./lattice/lattice";
-
-export type MaterialJSON = MaterialSchema & AnyObject;
-
-export interface MaterialInterface {
-    name: string;
-    Basis: Basis | ConstrainedBasis;
-    Lattice: Lattice;
-}
-
-/**
- * @deprecated Import from './types' directory instead
- */
-
-export * from './types/material';