Resolve "MOF App"
We have built a MOF app by adding quantities to config/model.py, which is a simple layout for exploring MOFs and properties in NOMAD. The app currently
- displays a periodic table containing all atoms and their number of instances in the MOF subset
- displays a table illustrating the type of metal SBUs and the number of each present.
- four histograms displaying i. pore limiting diameter ii. largest cavity diameter iii. accessible surface area iv. void fractions.
We still need to have a discussion about the following.
- Whether to create two apps, one for experimental data and the other for computed data or merge everything into a single MOF app.
- Add scatter plots for preliminary analysis. The main issue is that quantities extracted from the porosity normalisers are stored in topology meanwhile scattered plots can currently be done only on quantities found in data. A plan discussion will be made at some point in the future.