Is there a function in the python API library that can extract atom distance across the unit cell boundary?
I am interested in using the CCDC python API library to extract distance between two atoms. There are several structures that have been worked on are molecular anions with only 1 Te atom in the unit cell. Therefore, in the atom coordinates section of the CIF files, there is only one Tellurium atom index. I tried to use the function MolecularDescriptors.atom_distance(a, b) to extract the atom distance across the unit cell, (i.e. MolecularDescriptors.atom_distance(Te1,Te1)). However, a distance of 0.0 gets printed out. That function in the library probably simply calls the distance of a specific atom index and subtract the two sets of coordinates values.
I also check other functions containing the word "distance" in them, but none of them seem to allow extraction of atom distance across the unit cell boundary.
Will highly appreciate it if people can tell me how to use the library to calculate atom distance across the unit cell boundary.