Closes #1464 (closed) Created a new mofnormalizer
- Identify whether an input is a MOF
- Check for the presence of guest molecules and if yes, remove it before computing the properties of the MOFs
- Compute geometric properties of MOFs such as PLD, LCD, AV, ASA, void fraction and number of channels. This is computed using a probe of radius 1.86 corresponding to the atomic radii of nitrogen and runs for 5000 cycles. In the future, users should be able to use their own properties.
- Deconstruct the MOF into their unique building units. This include the metal secondary building unit, organic secondary building unit and organic ligand