fix show hydrogen bonds

superstar54 · Nov 16, 2024 · 26743c1 · 26743c1
1 parent 0029fab
commit 26743c1
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Showing 16 changed files with 57 additions and 1 deletion.
diff --git a/src/atoms/plugins/bond.js b/src/atoms/plugins/bond.js
@@ -179,7 +179,10 @@ export class BondManager {
 
     const stickBondMesh = drawStick(this.viewer.originalAtoms, this.bondList, this.bondMap["sticks"], this.viewer.cutoffs, this.bondRadius, this.viewer._materialType, atomColors);
     const { bondMesh, bondCap } = drawStick(this.viewer.originalAtoms, this.bondList, this.bondMap["stickCaps"], this.viewer.cutoffs, this.bondRadius, this.viewer._materialType, atomColors, true);
-    const dashedBondLine = drawLine(this.viewer.originalAtoms, this.bondList, this.bondMap["dashedLines"], this.viewer.cutoffs, "dashed", atomColors);
+    let dashedBondLine;
+    if (this.showHydrogenBonds) {
+      dashedBondLine = drawLine(this.viewer.originalAtoms, this.bondList, this.bondMap["dashedLines"], this.viewer.cutoffs, "dashed", atomColors);
+    }
     const solidBondLine = drawLine(this.viewer.originalAtoms, this.bondList, this.bondMap["solidLines"], this.viewer.cutoffs, "solid", atomColors);
     this.meshes = { stickBondMesh: stickBondMesh, stickCapBondMesh: bondMesh, stickCapBondCap: bondCap, dashedBondLine: dashedBondLine, solidBondLine: solidBondLine };
     Object.values(this.meshes).forEach((mesh) => {

diff --git a/tests/e2e/gui.spec.js b/tests/e2e/gui.spec.js
@@ -490,3 +490,8 @@ test("Bond", async ({ page }) => {
   });
   await expect(page).toHaveScreenshot("Bond-delete-bond-pair.png");
 });
+
+test("ModelStyle", async ({ page }) => {
+  await page.goto("http://127.0.0.1:8080/tests/e2e/testModelStyle.html");
+  await expect(page).toHaveScreenshot("ModelStyle.png");
+});
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-move-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-move-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-redo-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-redo-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-undo-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-0-undo-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-move-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-move-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-redo-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-redo-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-undo-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Animation-frame-10-undo-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Bond-frame-0-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Bond-frame-0-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Ops-add-atom-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Ops-add-atom-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Ops-invert-selection-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Ops-invert-selection-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Ops-replace-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Ops-replace-chromium-linux.png
diff --git a/tests/e2e/gui.spec.js-snapshots/Ops-translate-chromium-linux.png b/tests/e2e/gui.spec.js-snapshots/Ops-translate-chromium-linux.png
diff --git a/tests/e2e/testModelStyle.html b/tests/e2e/testModelStyle.html
@@ -0,0 +1,48 @@
+<!doctype html>
+<html lang="en">
+  <head>
+    <meta charset="UTF-8" />
+    <title>WEAS Test</title>
+  </head>
+  <body>
+    <div id="viewer" style="position: relative; width: 600px; height: 400px"></div>
+
+    <script type="module">
+      import * as weas from "../../dist/weas.mjs";
+
+      async function fetchFile(filename) {
+        const response = await fetch(`../../demo/datas/${filename}`);
+        if (!response.ok) {
+          throw new Error(`Failed to load file for structure: ${filename}`);
+        }
+        return await response.text();
+      }
+
+      let domElement = document.getElementById("viewer");
+
+      const guiConfig = {
+        legend: {
+          enabled: true,
+          position: "bottom-right", // Options: 'top-right', 'top-left', 'bottom-right', 'bottom-left'
+        },
+      };
+      // read atoms from file
+      const filename = "c2h6so.xyz";
+      fetchFile(filename).then((fileContent) => {
+        const atoms = weas.parseXYZ(fileContent);
+        let editor = new weas.WEAS({ domElement, guiConfig });
+        editor.avr.atoms = atoms;
+        editor.avr.modelStyle = 1;
+        editor.avr.selectedAtomsIndices = [2, 4, 6, 7];
+        editor.avr.modelStyle = 4;
+        editor.avr.selectedAtomsIndices = [3, 5, 8, 9];
+        editor.avr.modelStyle = 3;
+        editor.avr.selectedAtomsIndices = [];
+        editor.avr.bondManager.init();
+        editor.avr.drawModels();
+        editor.render();
+        window.editor = editor;
+      });
+    </script>
+  </body>
+</html>