catch inputs that don't exit in the mp database

README.md

@@ -209,7 +209,7 @@ Current configuration notes
 ## TODO
 
 -   [x] HTTPS - via docker?
--   [ ] Logging/analytics
+-   [x] Logging/analytics
 -   [ ] `nginx` static files update
 -   [ ] Simulation **g** vectors
 -   [ ] Simulation table of most common zone axes

blog.py

@@ -20,7 +20,14 @@
 logger.info("Log is working.")
 
 import matplotlib.pyplot as plt
-from flask import Flask, Response, render_template, render_template_string, request, send_from_directory
+from flask import (
+    Flask,
+    Response,
+    render_template,
+    render_template_string,
+    request,
+    send_from_directory,
+)
 from flask.helpers import redirect, url_for
 from flask_flatpages import FlatPages, pygments_style_defs
 from flask_flatpages.utils import pygmented_markdown
@@ -41,19 +48,15 @@
 
 load_dotenv()
 
-from figs import create_dp_figure, create_structure_figure
+from figs import create_dp_figure, create_structure_figure, get_mp_structure
 
 
 DEBUG = bool(os.environ.get("FLASK_DEBUG", False))
 FLATPAGES_AUTO_RELOAD = DEBUG
 FLATPAGES_EXTENSION = ".md"
 FLATPAGES_ROOT = "content"
 FLATPAGES_MARKDOWN_EXTENSIONS = ["codehilite", "fenced_code"]
-FLATPAGES_EXTENSION_CONFIGS = {
-    'codehilite': {
-        'linenums': 'True'
-    }
-}
+FLATPAGES_EXTENSION_CONFIGS = {"codehilite": {"linenums": "True"}}
 POST_DIR = "posts"
 
 
@@ -102,6 +105,7 @@ def about():
 def dp_sim(structure=None, zone_axis=None):
     logger.info(f"{request.remote_addr} - {request.full_path} - {request.referrer}")
     print(zone_axis)
+    message = None
     if request.args.get("structure") is not None and structure is None:
         try:
             structure = request.args.get("structure")
@@ -122,20 +126,31 @@ def dp_sim(structure=None, zone_axis=None):
     else:
         zone_axis = [1, 1, 1]
     if structure is not None:
-        success = True
+        try:
+            get_mp_structure(structure=structure)
+            success = True
+        except Exception as e:
+            message = str(e)
+            success = False
     else:
         success = False
 
     h, k, l = zone_axis
     return render_template(
-        "dp_sim.html", success=success, structure=structure, h=h, k=k, l=l
+        "dp_sim.html",
+        success=success,
+        structure=structure,
+        h=h,
+        k=k,
+        l=l,
+        message=message,
     )
 
 
 @app.route("/dp_sim/img/<structure>_<h>_<k>_<l>_structure_plot.png")
 def plot_structure_png(structure=None, h=None, k=None, l=None):
-    fname = f'assets/img/dps/{structure}_{h}_{k}_{l}_structure_plot.svg'
-    folder = 'static/'
+    fname = f"assets/img/dps/{structure}_{h}_{k}_{l}_structure_plot.svg"
+    folder = "static/"
     try:
         if os.path.isfile(folder + fname):
             with open(folder + fname) as f:
@@ -156,8 +171,8 @@ def plot_structure_png(structure=None, h=None, k=None, l=None):
 
 @app.route("/dp_sim/img/<structure>_<h>_<k>_<l>_dp_plot.png")
 def plot_dp_png(structure=None, h=None, k=None, l=None):
-    fname = f'assets/img/dps/{structure}_{h}_{k}_{l}_dp_plot.svg'
-    folder = 'static/'
+    fname = f"assets/img/dps/{structure}_{h}_{k}_{l}_dp_plot.svg"
+    folder = "static/"
     try:
         if os.path.isfile(folder + fname):
             with open(folder + fname) as f:

figs.py

@@ -12,41 +12,47 @@
 # from matplotlib.backends.backend_agg import FigureCanvasAgg as FigureCanvas
 from matplotlib.figure import Figure
 
-MP_API_KEY = os.environ.get('MP_API_KEY')
+MP_API_KEY = os.environ.get("MP_API_KEY")
 
 # surpress plt.show warnings because using non-interactive backend - can change py4DSTEM to not automatically plt.show things too?
 warnings.filterwarnings("ignore", category=UserWarning)
 
-def get_mp_structure(structure='mp-81'):
+
+def get_mp_structure(structure="mp-81"):
     """
-    This will try to get the Materials Project structure and save it, if it does not already exist.    
+    This will try to get the Materials Project structure and save it, if it does not already exist.
     """
-    structure_path = f'static/assets/data/structures/{structure}.json'
-    
-    try: 
-        with open(structure_path, 'r') as f:
+    structure_path = f"static/assets/data/structures/{structure}.json"
+
+    try:
+        with open(structure_path, "r") as f:
             mp_structure = pymatgen.core.Structure.from_dict(json.load(f))
     except:
         with MPRester(MP_API_KEY) as mpr:
             mp_structure = mpr.get_structure_by_material_id(structure)
-        with open(structure_path, 'w') as f:
+        with open(structure_path, "w") as f:
             json.dump(mp_structure.as_dict(), f)
 
     return mp_structure
 
+
 def create_structure_figure(structure="mp-81", zone_axis=[1, 1, 1]):
     fig = Figure(dpi=200)
     axis = fig.add_subplot(1, 1, 1)
     structure = get_mp_structure(structure)
     crystal = py4DSTEM.process.diffraction.Crystal.from_pymatgen_structure(
         structure=structure,
     )
-    fig, ax = crystal.plot_structure(returnfig=True, zone_axis_lattice=zone_axis, perspective_axes=True)
+    fig, ax = crystal.plot_structure(
+        returnfig=True, zone_axis_lattice=zone_axis, perspective_axes=True
+    )
     ax.set_position([0, 0, 1, 1])
     return fig
 
 
-def create_dp_figure(structure="mp-81", zone_axis=[1, 1, 1], accelerating_voltage=200e3):
+def create_dp_figure(
+    structure="mp-81", zone_axis=[1, 1, 1], accelerating_voltage=200e3
+):
     fig = Figure(dpi=100)
     ax = fig.add_subplot(1, 1, 1)
     structure = get_mp_structure(structure)

templates/dp_sim.html

@@ -21,8 +21,8 @@
     <option value="mp-22862" label="interpenetrating FCC (NaCl)"></option>
   </datalist>
 
-  <input type="text" name="zone_axis" placeholder="1,1,1 (h,k,l)" {% if structure
-    is not none %} value="{{'{},{},{}'.format(h,k,l)}}" {% endif %}/>
+  <input type="text" name="zone_axis" placeholder="1,1,1 (h,k,l)" {% if
+    structure is not none %} value="{{'{},{},{}'.format(h,k,l)}}" {% endif %} />
 
   <button class="pure-button pure-button-primary">Submit</button>
 </form>
@@ -48,7 +48,11 @@
       alt="Crystal Structure" />
   </div>
 </div>
-{% else %} {% endif %}
+{% else %}
+
+<p>{{message}}</p>
+
+{% endif %}
 
 <p>
   See the