@datagrok-libraries/chem-meta - npm Package Compare versions

Comparing version 1.0.11 to 1.0.12

package.json

@@ -7,3 +7,3 @@ {
   "friendlyName": "Datagrok chem-meta library",
-  "version": "1.0.11",
+  "version": "1.0.12",
   "description": "",
@@ -10,0 +10,0 @@ "dependencies": {

src/parsing-utils/const.d.ts

@@ -5,2 +5,3 @@ export declare const R = 82;
 export declare const S_QUOTE = 39;
+export declare const ASTERISK = 42;
 //# sourceMappingURL=const.d.ts.map

src/parsing-utils/const.js

@@ -5,2 +5,3 @@ export const R = 82;
 export const S_QUOTE = 39;
-//# sourceMappingURL=data:application/json;base64,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
+export const ASTERISK = 42;
+//# sourceMappingURL=data:application/json;base64,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

src/parsing-utils/molfile-handler-base.d.ts

@@ -17,4 +17,5 @@ import { ChemicalTableParserBase, AtomAndBondCounts } from './chemical-table-parser-base';
     isQuery(): boolean;
-    protected queryCriterion(idx: number): boolean;
+    isFragment(): boolean;
+    protected isQueryOrFragment(condition: (char: number, idx: number) => boolean): boolean;
 }
 //# sourceMappingURL=molfile-handler-base.d.ts.map

src/parsing-utils/molfile-handler-base.js

 import { ChemicalTableParserBase } from './chemical-table-parser-base';
-import { D_QUOTE, L, R, S_QUOTE } from './const';
+import { ASTERISK, D_QUOTE, L, R, S_QUOTE } from './const';
 import { isAlpha } from './utils';
@@ -33,2 +33,15 @@ export class MolfileHandlerBase extends ChemicalTableParserBase {
     isQuery() {
+        return this.isQueryOrFragment((char, idx) => {
+            return char === S_QUOTE || char === D_QUOTE ||
+                (char === L && !isAlpha(this.fileContent.charCodeAt(idx + 1)));
+        });
+    }
+    ;
+    isFragment() {
+        return this.isQueryOrFragment((char) => {
+            return char === R || char === ASTERISK;
+        });
+    }
+    ;
+    isQueryOrFragment(condition) {
         const atomCount = this.atomCount;
@@ -38,3 +51,4 @@ let idx = this.getAtomBlockIdx();
             idx = this.shiftIdxToAtomType(idx);
-            if (this.queryCriterion(idx))
+            const char = this.fileContent.charCodeAt(idx);
+            if (condition(char, idx))
                 return true;
@@ -46,8 +60,3 @@ idx = this.getNextLineIdx(idx);
     ;
-    queryCriterion(idx) {
-        const char = this.fileContent.charCodeAt(idx);
-        return char === R || !isAlpha(char) ||
-            (char === L && !isAlpha(this.fileContent.charCodeAt(idx + 1)));
-    }
 }
-//# sourceMappingURL=data:application/json;base64,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+//# 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

No alert changes

Improved metrics

Total package byte prevSize

85549

increased by1.53%

Lines of code

711

increased by1.72%

No dependency changes