From 861e5c3e9747123578cc9fa3c422bb309d1171ca Mon Sep 17 00:00:00 2001
From: dsehnal <david.sehnal@gmail.com>
Date: Wed, 24 Mar 2021 16:02:53 +0100
Subject: [PATCH] SDF data item test
---
package.json | 1 +
src/mol-io/reader/_spec/sdf.spec.ts | 11 ++++++++---
2 files changed, 9 insertions(+), 3 deletions(-)
diff --git a/package.json b/package.json
index 77961ec80..1bc76bdeb 100644
--- a/package.json
+++ b/package.json
@@ -14,6 +14,7 @@
"lint": "eslint .",
"lint-fix": "eslint . --fix",
"test": "npm run lint && jest",
+ "jest": "jest",
"build": "npm run build-tsc && npm run build-extra && npm run build-webpack",
"build-viewer": "npm run build-tsc && npm run build-extra && npm run build-webpack-viewer",
"build-tsc": "concurrently \"tsc --incremental\" \"tsc --build tsconfig.commonjs.json --incremental\"",
diff --git a/src/mol-io/reader/_spec/sdf.spec.ts b/src/mol-io/reader/_spec/sdf.spec.ts
index 8c65d6456..4e7428056 100644
--- a/src/mol-io/reader/_spec/sdf.spec.ts
+++ b/src/mol-io/reader/_spec/sdf.spec.ts
@@ -17,7 +17,7 @@ const SdfString = `
M CHG 3 1 -1 3 -1 5 -1
M END
> <DATABASE_ID>
-DB14523
+0
> <DATABASE_NAME>
drugbank
@@ -127,7 +127,9 @@ Comp 2
4 3 1 0 0 0 0
4 5 1 0 0 0 0
M CHG 3 1 -1 3 -1 5 -1
-M END`;
+M END
+> <DATABASE_ID>
+1`;
describe('sdf reader', () => {
it('basic', async () => {
@@ -159,12 +161,15 @@ describe('sdf reader', () => {
expect(bonds.order.value(3)).toBe(1);
expect(dataItems.dataHeader.value(0)).toBe('DATABASE_ID');
- expect(dataItems.data.value(0)).toBe('DB14523');
+ expect(dataItems.data.value(0)).toBe('0');
expect(dataItems.dataHeader.value(1)).toBe('DATABASE_NAME');
expect(dataItems.data.value(1)).toBe('drugbank');
expect(dataItems.dataHeader.value(31)).toBe('SYNONYMS');
expect(dataItems.data.value(31)).toBe('Orthophosphate; Phosphate');
+
+ expect(compound1.dataItems.data.value(0)).toBe('0');
+ expect(compound2.dataItems.data.value(0)).toBe('1');
});
});
--
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