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Fixing Molecular orbital rendering with Flying Edges #1853

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Dec 9, 2024
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Fixing Molecular orbital rendering with Flying Edges #1853

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42 changes: 25 additions & 17 deletions avogadro/qtplugins/meshes/meshes.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -66,52 +66,60 @@ void Meshes::process(const QtGui::Molecule& mol, GroupNode& node)
auto* geometry = new GeometryNode;
node.addChild(geometry);

// Handle the first mesh
const Mesh* mesh = mol.mesh(0);

Core::Array<Vector3f> triangles;

triangles = mesh->triangles();

Core::Array<Vector3f> triangles = mesh->triangles();

bool hasColors = (mesh->colors().size() != 0);

auto* mesh1 = new MeshGeometry;
geometry->addDrawable(mesh1);
mesh1->setOpacity(m_opacity);

if (hasColors) {
auto colors = mesh->colors();
Core::Array<Vector3ub> colorsRGB(colors.size());
for (size_t i = 0; i < colors.size(); i++)
colorsRGB[i] = Vector3ub(colors[i].red() * 255, colors[i].green() * 255,
colors[i].blue() * 255);
colorsRGB[i] = Vector3ub(static_cast<unsigned char>(colors[i].red() * 255),
static_cast<unsigned char>(colors[i].green() * 255),
static_cast<unsigned char>(colors[i].blue() * 255));
mesh1->addVertices(mesh->vertices(), mesh->normals(), colorsRGB);
} else {
mesh1->setColor(m_color1);
mesh1->addVertices(mesh->vertices(), mesh->normals());
mesh1->setColor(m_color1);
mesh1->addVertices(mesh->vertices(), mesh->normals());
}

// Add the triangles for the first mesh
for (size_t i = 0; i < triangles.size(); ++i) {
mesh1->addTriangle(triangles[i][0], triangles[i][1], triangles[i][2]);
}
mesh1->setRenderPass(m_opacity == 255 ? Rendering::SolidPass
: Rendering::TranslucentPass);

if (mol.meshCount() >= 2) { // it's a molecular orbital, two parts
mesh1->setRenderPass(m_opacity == 255 ? Rendering::SolidPass : Rendering::TranslucentPass);

// Handle the second mesh if present
if (mol.meshCount() >= 2) {
auto* mesh2 = new MeshGeometry;
geometry->addDrawable(mesh2);

mesh = mol.mesh(1);

// Retrieve the second mesh’s triangles
Core::Array<Vector3f> triangles2 = mesh->triangles();

mesh2->setColor(m_color2);
mesh2->setOpacity(m_opacity);
mesh2->addVertices(mesh->vertices(), mesh->normals());
for (size_t i = 0; i < triangles.size(); ++i) {
mesh2->addTriangle(triangles[i][0], triangles[i][1], triangles[i][2]);
}

// Add the correct triangles for the second mesh
for (size_t i = 0; i < triangles2.size(); ++i) {
mesh2->addTriangle(triangles2[i][0], triangles2[i][1], triangles2[i][2]);
}

mesh2->setRenderPass(m_opacity == 255 ? Rendering::SolidPass
: Rendering::TranslucentPass);
}
}
}

}

void Meshes::setOpacity(int opacity)
{
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