add types to exclude_multiple_labels, more explanation in docs and more intuitive name
print a warning if the atoms are merged in a .cif file, which atoms are merged, print framework.name too for high-throughput
before you merge the two atoms, make sure they are indeed overlapping; if they are not overlapping then throw an error and refuse to read in the framework b/c something is
wrong with the assumption about the .cif atom label convention.
maybe instead of merging atoms based on their names in .cif, merge based on whether or not they are overlapped? You know better than me since you did more research into what those column names mean and the atom naming conventions in .cifs. I think fine as is as long as you do above and check they are overlapping before you merge, print a warning, and add in the documentation that this is what you do automatically.
13 refined the reader. The reader won't automatically merge/remove atoms anymore. It requires the user to specify remove_overlap = true while calling the reader function
Surluson
commented
6 years ago
exclude_multiple_labels, more explanation in docs and more intuitive nameframework.nametoo for high-throughput