Removed a code section responsible for saturating the input adjacency lists with hydrogen atoms from the function fromAdjacencyList requiring that the input adjacency list have include already all hydrogen atoms. Added a new code section calculating and storing the number of lone electron pairs and electric charges for each atom which is possible only if the adjacency list contains all hydrogen atoms.
Removed a code section responsible for saturating the input adjacency
lists with hydrogen atoms from the function fromAdjacencyList requiring
that the input adjacency list have include already all hydrogen atoms.
Added a new code section calculating and storing the number of lone
electron pairs and electric charges for each atom which is possible only
if the adjacency list contains all hydrogen atoms.
nickvandewiele/RMG-Py,chatelak/RMG-Py,comocheng/RMG-Py,pierrelb/RMG-Py,comocheng/RMG-Py,faribas/RMG-Py,nyee/RMG-Py,enochd/RMG-Py,KEHANG/RMG-Py,nyee/RMG-Py,nickvandewiele/RMG-Py,pierrelb/RMG-Py,faribas/RMG-Py,KEHANG/RMG-Py,chatelak/RMG-Py,enochd/RMG-Py