{
  "cells": [
    {
      "cell_type": "markdown",
      "metadata": {},
      "source": [
        "\n# Rendering structure with povray\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "collapsed": false
      },
      "outputs": [],
      "source": [
        "import numpy as np\n\nfrom ase import Atoms\nfrom ase.io import write\nfrom ase.utils import hsv"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "collapsed": false
      },
      "outputs": [],
      "source": [
        "atoms = Atoms('Ag', cell=(2.7, 2.7, 2.7), pbc=True) * (18, 8, 8)\n\nrotation = '-70x, -20y, -2z'  # found using ASE-GUI menu 'view -> rotate'\n\n# Make colors\ncolors = hsv(atoms.positions[:, 0])\n\n# Textures\ntex = ['jmol'] * 288 + ['glass'] * 288 + ['ase3'] * 288 + ['vmd'] * 288\n\n\n# Keywords that exist for eps, png, and povs\ngeneric_projection_settings = {\n    'rotation': rotation,\n    'colors': colors,\n    'radii': None,\n}\n\npovray_settings = {  # For povray files only\n    'display': False,  # Display while rendering\n    'pause': False,  # Pause when done rendering (only if display)\n    'transparent': False,  # Transparent background\n    'canvas_width': None,  # Width of canvas in pixels\n    'canvas_height': None,  # Height of canvas in pixels\n    'camera_dist': 50.0,  # Distance from camera to front atom\n    'image_plane': None,  # Distance from front atom to image plane\n    # (focal depth for perspective)\n    'camera_type': 'perspective',  # perspective, ultra_wide_angle\n    'point_lights': [],  # [[loc1, color1], [loc2, color2],...]\n    'area_light': [\n        (2.0, 3.0, 40.0),  # location\n        'White',  # color\n        0.7,\n        0.7,\n        3,\n        3,\n    ],  # width, height, Nlamps_x, Nlamps_y\n    'background': 'White',  # color\n    'textures': tex,  # Length of atoms list of texture names\n    'celllinewidth': 0.05,  # Radius of the cylinders representing the cell\n}\n\n# Make flat png file\n# write('flat.png', atoms, **kwargs)\n\n# Make the color of the glass beads semi-transparent\ncolors2 = np.zeros((1152, 4))\ncolors2[:, :3] = colors\ncolors2[288:576, 3] = 0.95\ngeneric_projection_settings['colors'] = colors2\n\n# Make the raytraced image\n# first write the configuration files, then call the external povray executable\nrenderer = write(\n    'nice.pov',\n    atoms,\n    **generic_projection_settings,\n    povray_settings=povray_settings,\n)\nrenderer.render()"
      ]
    }
  ],
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    "kernelspec": {
      "display_name": "Python 3",
      "language": "python",
      "name": "python3"
    },
    "language_info": {
      "codemirror_mode": {
        "name": "ipython",
        "version": 3
      },
      "file_extension": ".py",
      "mimetype": "text/x-python",
      "name": "python",
      "nbconvert_exporter": "python",
      "pygments_lexer": "ipython3",
      "version": "3.14.5"
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  "nbformat": 4,
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