Merge branch 'feat/SVG'

Author: wjm41

.gitignore

@@ -1,5 +1,10 @@
+# Setup files for pypi
 MANIFEST
 dist/
 molplotly.egg-info/
+setup.cfg
 
+# VS-Code files
 *.pyc
+.DS_Store
+settings.json

example.ipynb

@@ -16,9 +16,17 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 1,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:rdkit:Enabling RDKit 2021.09.4 jupyter extensions\n"
+     ]
+    }
+   ],
    "source": [
     "import pandas as pd\n",
     "import plotly.express as px\n",
@@ -44,7 +52,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": 2,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -71,7 +79,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 3,
    "metadata": {},
    "outputs": [
     {
@@ -4433,19 +4441,9 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 4,
    "metadata": {},
    "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "C:\\Users\\User\\.conda\\envs\\torch_env\\lib\\site-packages\\jupyter_dash\\jupyter_app.py:139: UserWarning:\n",
-      "\n",
-      "The 'environ['werkzeug.server.shutdown']' function is deprecated and will be removed in Werkzeug 2.1.\n",
-      "\n"
-     ]
-    },
     {
      "data": {
       "text/html": [
@@ -4461,7 +4459,7 @@
        "        "
       ],
       "text/plain": [
-       "<IPython.lib.display.IFrame at 0x20f8e54f6a0>"
+       "<IPython.lib.display.IFrame at 0x7fc93564f610>"
       ]
      },
      "metadata": {},
@@ -4481,6 +4479,55 @@
     "app_scatter.run_server(mode='inline', port=8700, height=1000)\n"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "**Hoverbox transparency (27th Feb)** - the transparency of the hoverbox and the drawn molecule can be controlled by the `alpha` and `mol_alpha` parameters, respecively. The default values are `0.75` and `0.7` by personal preference (those are the values in the plot above), here is an example with smaller alpha values:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "\n",
+       "        <iframe\n",
+       "            width=\"100%\"\n",
+       "            height=\"1000\"\n",
+       "            src=\"http://127.0.0.1:8010/\"\n",
+       "            frameborder=\"0\"\n",
+       "            allowfullscreen\n",
+       "            \n",
+       "        ></iframe>\n",
+       "        "
+      ],
+      "text/plain": [
+       "<IPython.lib.display.IFrame at 0x7fc9346330d0>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "fig_scatter.update_layout(title='ESOL Regression with more transparent hoverboxes')\n",
+    "\n",
+    "app_scatter_alpha = molplotly.add_molecules(fig=fig_scatter,\n",
+    "                                      df=df_esol,\n",
+    "                                      smiles_col='smiles',\n",
+    "                                      title_col='Compound ID',\n",
+    "                                      alpha=0.4,\n",
+    "                                      mol_alpha=0.3,\n",
+    "                                      )\n",
+    "\n",
+    "# change the arguments here to run the dash app on an external server and/or change the size of the app!\n",
+    "app_scatter_alpha.run_server(mode='inline', port=8010, height=1000)\n"
+   ]
+  },
   {
    "cell_type": "markdown",
    "metadata": {},
@@ -4753,7 +4800,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -12524,7 +12571,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.7"
+   "version": "3.10.0"
   },
   "orig_nbformat": 4
  },