sdf-parser 7.0.4 → 7.0.5
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/lib/index.js +2 -4
- package/package.json +10 -12
- package/src/iterator.js +1 -2
- package/src/util/getMolecule.js +1 -2
package/lib/index.js
CHANGED
|
@@ -43,8 +43,7 @@ function getEntriesBoundaries(string, substring, eol) {
|
|
|
43
43
|
function getMolecule$1(sdfPart, labels, currentLabels, options) {
|
|
44
44
|
let parts = sdfPart.split(`${options.eol}>`);
|
|
45
45
|
if (parts.length === 0 || parts[0].length <= 5) return;
|
|
46
|
-
let molecule = {};
|
|
47
|
-
molecule.molfile = parts[0] + options.eol;
|
|
46
|
+
let molecule = { molfile: parts[0] + options.eol };
|
|
48
47
|
for (let j = 1; j < parts.length; j++) {
|
|
49
48
|
let lines = parts[j].split(options.eol);
|
|
50
49
|
let from = lines[0].indexOf('<');
|
|
@@ -278,8 +277,7 @@ function getMolecule(sdfPart, options) {
|
|
|
278
277
|
const { eol, dynamicTyping: dynamicTyping$1 } = options;
|
|
279
278
|
let parts = sdfPart.split(`${eol}>`);
|
|
280
279
|
if (parts.length === 0 || parts[0].length <= 5) return;
|
|
281
|
-
let molecule = {};
|
|
282
|
-
molecule.molfile = parts[0] + eol;
|
|
280
|
+
let molecule = { molfile: parts[0] + eol };
|
|
283
281
|
for (let j = 1; j < parts.length; j++) {
|
|
284
282
|
let lines = parts[j].split(eol);
|
|
285
283
|
let from = lines[0].indexOf('<');
|
package/package.json
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "sdf-parser",
|
|
3
|
-
"version": "7.0.
|
|
3
|
+
"version": "7.0.5",
|
|
4
4
|
"description": "SDF parser",
|
|
5
5
|
"main": "lib/index.js",
|
|
6
6
|
"module": "src/index.js",
|
|
@@ -39,21 +39,19 @@
|
|
|
39
39
|
},
|
|
40
40
|
"homepage": "https://github.com/cheminfo/sdf-parser",
|
|
41
41
|
"devDependencies": {
|
|
42
|
-
"@
|
|
43
|
-
"@
|
|
44
|
-
"@vitest/coverage-v8": "^3.0.7",
|
|
45
|
-
"babel-eslint": "^10.1.0",
|
|
42
|
+
"@types/node": "^25.2.3",
|
|
43
|
+
"@vitest/coverage-v8": "^4.0.18",
|
|
46
44
|
"callback-stream": "^1.1.0",
|
|
47
|
-
"cheminfo-build": "^1.2
|
|
45
|
+
"cheminfo-build": "^1.3.2",
|
|
48
46
|
"eslint": "^9.21.0",
|
|
49
|
-
"eslint-config-cheminfo": "^
|
|
50
|
-
"file-collection": "^
|
|
51
|
-
"openchemlib": "^
|
|
52
|
-
"prettier": "^3.
|
|
53
|
-
"vitest": "^
|
|
47
|
+
"eslint-config-cheminfo": "^17.1.0",
|
|
48
|
+
"file-collection": "^6.6.0",
|
|
49
|
+
"openchemlib": "^9.20.0",
|
|
50
|
+
"prettier": "^3.8.1",
|
|
51
|
+
"vitest": "^4.0.18"
|
|
54
52
|
},
|
|
55
53
|
"dependencies": {
|
|
56
54
|
"dynamic-typing": "^1.0.1",
|
|
57
|
-
"ensure-string": "^
|
|
55
|
+
"ensure-string": "^2.0.0"
|
|
58
56
|
}
|
|
59
57
|
}
|
package/src/iterator.js
CHANGED
|
@@ -38,8 +38,7 @@ function getMolecule(sdfPart, options) {
|
|
|
38
38
|
const { eol, dynamicTyping } = options;
|
|
39
39
|
let parts = sdfPart.split(`${eol}>`);
|
|
40
40
|
if (parts.length === 0 || parts[0].length <= 5) return;
|
|
41
|
-
let molecule = {};
|
|
42
|
-
molecule.molfile = parts[0] + eol;
|
|
41
|
+
let molecule = { molfile: parts[0] + eol };
|
|
43
42
|
for (let j = 1; j < parts.length; j++) {
|
|
44
43
|
let lines = parts[j].split(eol);
|
|
45
44
|
let from = lines[0].indexOf('<');
|
package/src/util/getMolecule.js
CHANGED
|
@@ -9,8 +9,7 @@
|
|
|
9
9
|
export function getMolecule(sdfPart, labels, currentLabels, options) {
|
|
10
10
|
let parts = sdfPart.split(`${options.eol}>`);
|
|
11
11
|
if (parts.length === 0 || parts[0].length <= 5) return;
|
|
12
|
-
let molecule = {};
|
|
13
|
-
molecule.molfile = parts[0] + options.eol;
|
|
12
|
+
let molecule = { molfile: parts[0] + options.eol };
|
|
14
13
|
for (let j = 1; j < parts.length; j++) {
|
|
15
14
|
let lines = parts[j].split(options.eol);
|
|
16
15
|
let from = lines[0].indexOf('<');
|