SOF-7715: material name property

dist/js/materialMixin.d.ts

@@ -83,7 +83,7 @@ export declare function materialMixin<T extends Base = Base>(item: T): {
     /**
      * High-level access to unique elements from material instead of basis.
      */
-    readonly uniqueElements: string[];
+    readonly uniqueElements: ("H" | "He" | "Li" | "Be" | "B" | "C" | "N" | "O" | "F" | "Ne" | "Na" | "Mg" | "Al" | "Si" | "P" | "S" | "Cl" | "Ar" | "K" | "Ca" | "Sc" | "Ti" | "V" | "Cr" | "Mn" | "Fe" | "Co" | "Ni" | "Cu" | "Zn" | "Ga" | "Ge" | "As" | "Se" | "Br" | "Kr" | "Rb" | "Sr" | "Y" | "Zr" | "Nb" | "Mo" | "Tc" | "Ru" | "Rh" | "Pd" | "Ag" | "Cd" | "In" | "Sn" | "Sb" | "Te" | "I" | "Xe" | "Cs" | "Ba" | "La" | "Ce" | "Pr" | "Nd" | "Pm" | "Sm" | "Eu" | "Gd" | "Tb" | "Dy" | "Ho" | "Er" | "Tm" | "Yb" | "Lu" | "Hf" | "Ta" | "W" | "Re" | "Os" | "Ir" | "Pt" | "Au" | "Hg" | "Tl" | "Pb" | "Bi" | "Po" | "At" | "Rn" | "Fr" | "Ra" | "Ac" | "Th" | "Pa" | "U" | "Np" | "Pu" | "Am" | "Cm" | "Bk" | "Cf" | "Es" | "Fm" | "Md" | "No" | "Lr" | "Rf" | "Db" | "Sg" | "Bh" | "Hs" | "Mt" | "Ds" | "Rg" | "Cn" | "Nh" | "Fl" | "Mc" | "Lv" | "Ts" | "Og" | "X" | "Vac")[];
     lattice: LatticeSchema;
     readonly Lattice: Lattice;
     /**

dist/js/materialMixin.js

@@ -64,7 +64,8 @@ function materialMixin(item) {
             };
         },
         get name() {
-            return item.prop("name", "") || this.formula;
+            var _a;
+            return (_a = item.prop("name")) !== null && _a !== void 0 ? _a : this.formula; // if name is not set, use formula, but keep empty string
         },
         set name(name) {
             item.setProp("name", name);

dist/js/parsers/xyz_combinatorial_basis.js

@@ -59,7 +59,7 @@ const math_1 = __importDefault(require("../math"));
 // eslint-disable-next-line max-len
 const LINE_REGEX = /^([A-Z][a-z]?\/?,?)+\s+(-?\d+\.?\d*|\.\d+)\s+(-?\d+\.?\d*|\.\d+)\s+(-?\d+\.?\d*|\.\d+)\s*$/gi;
 // vacancy characters will be used to create vacancies on basis generation
-const VACANCY_CHARACTER = "VAC";
+const VACANCY_CHARACTER = "Vac";
 const COMBINATION_DELIMITER = ",";
 const PERMUTATION_DELIMITER = "/";
 /**

package.json

@@ -9,6 +9,7 @@
         "prepare": "husky install",
         "prettier": "prettier --check src/js tests/js",
         "test": "nyc --reporter=text mocha --recursive --bail tests/js/**/*.ts",
+        "generate-mixins": "ts-node scripts/generate-mixins.ts",
         "transpile": "tsc -p tsconfig-transpile.json"
     },
     "repository": {
@@ -33,8 +34,8 @@
         "@babel/register": "^7.22.15",
         "@babel/runtime-corejs3": "^7.16.8",
         "@exabyte-io/eslint-config": "2025.5.13-0",
-        "@mat3ra/code": "2025.7.15-0",
-        "@mat3ra/esse": "2025.5.16-0",
+        "@mat3ra/code": "2025.10.8-0",
+        "@mat3ra/esse": "2025.10.8-0",
         "@mat3ra/tsconfig": "2024.6.3-0",
         "@mat3ra/utils": "2025.4.14-0",
         "@types/crypto-js": "^4.2.2",

src/js/materialMixin.ts

@@ -95,7 +95,7 @@ export function materialMixin<T extends Base = Base>(item: T) {
         },
 
         get name() {
-            return item.prop("name", "") || this.formula;
+            return item.prop("name") ?? this.formula; // if name is not set, use formula, but keep empty string
         },
 
         set name(name: string) {

src/js/parsers/poscar.ts

@@ -100,9 +100,9 @@ function fromPoscar(fileContent: string): object {
         startLine = 8;
     }
 
-    const elements: AtomicElementValue[] = atomSymbols
+    const elements = atomSymbols
         .map((symbol: string, i: number): string[] => Array(atomCounts[i]).fill(symbol))
-        .reduce((a, b) => a.concat(b), []);
+        .reduce((a, b) => a.concat(b), []) as AtomicElementValue[];
 
     // Atom coordinates and constraints
     const coordinates: AtomicCoordinateValue[] = [];

src/js/parsers/xyz.ts

@@ -62,8 +62,8 @@ export interface ParsedObject {
  */
 function _parseXYZLineAsWords(line: string): ParsedObject {
     const words = s.words(line);
-    const elementWithOptionalLabel: AtomicElementValue = words[0];
-    const element: AtomicElementValue = elementWithOptionalLabel.replace(/\d$/, ""); // Fe1 => Fe
+    const elementWithOptionalLabel = words[0];
+    const element = elementWithOptionalLabel.replace(/\d$/, "") as AtomicElementValue; // Fe1 => Fe
     const generateConstraintValue = (n: number) => parseInt(`${n}`, 10) !== 0;
 
     const basisLineConfig: ParsedObject = {

src/js/parsers/xyz_combinatorial_basis.ts

@@ -38,7 +38,7 @@ import math from "../math";
 const LINE_REGEX =
     /^([A-Z][a-z]?\/?,?)+\s+(-?\d+\.?\d*|\.\d+)\s+(-?\d+\.?\d*|\.\d+)\s+(-?\d+\.?\d*|\.\d+)\s*$/gi;
 // vacancy characters will be used to create vacancies on basis generation
-const VACANCY_CHARACTER = "VAC";
+const VACANCY_CHARACTER = "Vac";
 const COMBINATION_DELIMITER = ",";
 const PERMUTATION_DELIMITER = "/";
 /**