feat: Text on Nanoribbon

other/materials_designer/text_on_nanoribbon.ipynb

@@ -0,0 +1,253 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "d8a8021cf80ad95c",
+   "metadata": {},
+   "source": [
+    "# Create a nanoribbon material with the digits (or letters) on a nanoribbon."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "id": "b1158553",
+   "metadata": {},
+   "source": [
+    "from mat3ra.made.material import Material\n",
+    "from mat3ra.made.tools.build.nanoribbon import create_nanoribbon, NanoribbonConfiguration\n",
+    "from mat3ra.standata.materials import Materials\n",
+    "from mat3ra.made.tools.modify import rotate\n",
+    "from IPython.display import display\n",
+    "import numpy as np\n",
+    "\n",
+    "\n",
+    "DIGITS_STRING = \"2026\"\n",
+    "grid_size = 10\n",
+    "\n",
+    "SHOW_DIGITS = False\n",
+    "\n",
+    "combined_length = 32\n",
+    "material = Material(Material.default_config)\n",
+    "graphene = Material(Materials.get_by_name_first_match(\"Graphene\"))\n",
+    "config = NanoribbonConfiguration(material=graphene, width=4 * 10, length=combined_length, edge_type=\"zigzag\")\n",
+    "nanoribbon = create_nanoribbon(config)\n"
+   ],
+   "outputs": [],
+   "execution_count": null
+  },
+  {
+   "cell_type": "code",
+   "id": "f6ba0797",
+   "metadata": {},
+   "source": [
+    "def generate_digit_grid(digit, grid_size=10):\n",
+    "    \"\"\"\n",
+    "    Generate a binary grid for a digit and return ON pixel coordinates.\n",
+    "    \"\"\"\n",
+    "    from PIL import Image, ImageDraw, ImageFont\n",
+    "    \n",
+    "    image = Image.new(\"1\", (grid_size, grid_size), color=1)\n",
+    "    draw = ImageDraw.Draw(image)\n",
+    "    \n",
+    "    try:\n",
+    "        font = ImageFont.load_default()\n",
+    "    except IOError:\n",
+    "        raise RuntimeError(\"Failed to load bitmap font.\")\n",
+    "    \n",
+    "    draw.text((0, 0), digit, fill=0, font=font)\n",
+    "    grid = np.array(image)\n",
+    "    \n",
+    "    on_pixels = [(x, y) for y in range(grid.shape[0]) for x in range(grid.shape[1]) if not grid[y, x]]\n",
+    "    return on_pixels\n",
+    "\n",
+    "def visualize_digit_coords(coords, grid_size=10):\n",
+    "    \"\"\"\n",
+    "    Visualize digit coordinates as a grid and image.\n",
+    "    \"\"\"\n",
+    "    from PIL import Image\n",
+    "    \n",
+    "    grid = np.ones((grid_size, grid_size), dtype=int)\n",
+    "    for x, y in coords:\n",
+    "        if 0 <= y < grid_size and 0 <= x < grid_size:\n",
+    "            grid[y, x] = 0\n",
+    "    \n",
+    "    print(\"   \", end=\"\")\n",
+    "    for x in range(grid_size):\n",
+    "        print(f\"{x:2}\", end=\" \")\n",
+    "    print()\n",
+    "    \n",
+    "    for y in range(grid_size):\n",
+    "        print(f\"{y:2} \", end=\"\")\n",
+    "        for x in range(grid_size):\n",
+    "            print(f\"{grid[y, x]:2}\", end=\" \")\n",
+    "        print()\n",
+    "    \n",
+    "    image = Image.fromarray((grid * 255).astype(np.uint8), mode='L')\n",
+    "    scale_factor = 10\n",
+    "    scaled_image = image.resize((grid_size * scale_factor, grid_size * scale_factor), resample=Image.NEAREST)\n",
+    "    display(scaled_image)\n",
+    "    \n",
+    "    print(f\"\\nON pixels: {coords}\")\n",
+    "\n",
+    "def toggle_pixels(coords, toggles):\n",
+    "    \"\"\"\n",
+    "    Toggle pixels in the coordinate list.\n",
+    "    If a coordinate is in the list, remove it. If not, add it.\n",
+    "    \"\"\"\n",
+    "    coords_set = set(coords)\n",
+    "    for toggle in toggles:\n",
+    "        if toggle in coords_set:\n",
+    "            coords_set.remove(toggle)\n",
+    "        else:\n",
+    "            coords_set.add(toggle)\n",
+    "    return list(coords_set)\n"
+   ],
+   "outputs": [],
+   "execution_count": null
+  },
+  {
+   "cell_type": "code",
+   "id": "c625e22c",
+   "metadata": {},
+   "source": [
+    "\n",
+    "digits_coords = []\n",
+    "for i, digit in enumerate(DIGITS_STRING):\n",
+    "    coords = generate_digit_grid(digit, grid_size)\n",
+    "    digits_coords.append(coords)\n",
+    "    if SHOW_DIGITS:\n",
+    "        print(f\"Digit {i} ('{digit}'):\")\n",
+    "        visualize_digit_coords(coords, grid_size)\n",
+    "        print()\n"
+   ],
+   "outputs": [],
+   "execution_count": null
+  },
+  {
+   "cell_type": "code",
+   "id": "187f99ff",
+   "metadata": {},
+   "source": [
+    "adjustments = {\n",
+    "    # 3: [(5, 4)],\n",
+    "}\n",
+    "\n",
+    "\n",
+    "for digit_index, toggles in adjustments.items():\n",
+    "    digits_coords[digit_index] = toggle_pixels(digits_coords[digit_index], toggles)\n",
+    "    print(f\"Adjusted Digit {digit_index} ('{DIGITS_STRING[digit_index]}'):\")\n",
+    "    visualize_digit_coords(digits_coords[digit_index], grid_size)\n",
+    "    print()\n"
+   ],
+   "outputs": [],
+   "execution_count": null
+  },
+  {
+   "cell_type": "code",
+   "id": "03ef6570",
+   "metadata": {},
+   "source": [
+    "def create_material_from_digit_coords(digit_coords_list, nanoribbon, grid_size, lattice_param=2.46, spacing=0, x_shift=-5):\n",
+    "    \"\"\"\n",
+    "    Create material with atoms positioned based on digit coordinates.\n",
+    "    \"\"\"\n",
+    "    material = nanoribbon.clone()\n",
+    "    x_offset = 0\n",
+    "    \n",
+    "    for digit_coords in digit_coords_list:\n",
+    "        x_offset += grid_size * lattice_param + spacing * lattice_param + x_shift\n",
+    "        \n",
+    "        for x, y in digit_coords:\n",
+    "            coord = np.array([\n",
+    "                x * lattice_param + x_offset - lattice_param * 7,\n",
+    "                y * lattice_param + lattice_param * 2 + 90,\n",
+    "                2 * lattice_param\n",
+    "            ])\n",
+    "            material.add_atom(\"Au\", coord, use_cartesian_coordinates=True)\n",
+    "            \n",
+    "            mirror_coord = np.array([\n",
+    "                -coord[0],\n",
+    "                coord[1],\n",
+    "                5 * lattice_param\n",
+    "            ])\n",
+    "            material.add_atom(\"Cs\", mirror_coord, use_cartesian_coordinates=True)\n",
+    "    \n",
+    "    return material\n"
+   ],
+   "outputs": [],
+   "execution_count": null
+  },
+  {
+   "cell_type": "code",
+   "id": "0e554c39",
+   "metadata": {},
+   "source": [
+    "lattice_param = 2.46\n",
+    "spacing = 0\n",
+    "x_shift = -5\n",
+    "\n",
+    "material = create_material_from_digit_coords(digits_coords, nanoribbon, grid_size, lattice_param, spacing, x_shift)\n"
+   ],
+   "outputs": [],
+   "execution_count": null
+  },
+  {
+   "cell_type": "code",
+   "id": "bca66033",
+   "metadata": {},
+   "source": [
+    "from utils.jupyterlite import set_materials\n",
+    "from utils.visualize import visualize_materials\n",
+    "from mat3ra.made.tools.modify import add_vacuum, translate_to_z_level\n",
+    "\n",
+    "material_copy = material.clone()\n",
+    "material_copy = add_vacuum(material_copy, 20, to_bottom=True)\n",
+    "material_copy = translate_to_z_level(material_copy, \"center\")\n",
+    "material_copy = rotate(material_copy, [1, 0, 0], -90, rotate_cell=False)\n",
+    "\n",
+    "visualize_materials([material_copy], rotation=\"-180x\")\n",
+    "visualize_materials([material_copy], rotation=\"-90x\")\n",
+    "\n",
+    "material_copy.name = DIGITS_STRING\n",
+    "set_materials([material_copy])\n"
+   ],
+   "outputs": [],
+   "execution_count": null
+  },
+  {
+   "cell_type": "markdown",
+   "id": "71c7e7b7",
+   "metadata": {},
+   "source": []
+  },
+  {
+   "cell_type": "code",
+   "id": "cfb846e053e5b355",
+   "metadata": {},
+   "source": [],
+   "outputs": [],
+   "execution_count": null
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 2
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython2",
+   "version": "2.7.6"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}