Structs§
Functions§
- atom_
get_ hybridization - atom_
sanitize_ exception_ get_ atom_ idx - atom_
set_ hybridization - atom_
update_ property_ cache - copy_
mol - detect_
chemistry_ problems - get_
atom_ with_ idx - get_
atomic_ num - get_
bool_ prop - get_
degree - get_
float_ prop - get_
formal_ charge - get_
int_ prop - get_
is_ aromatic - get_
num_ atoms - get_
num_ radical_ electrons - get_
prop - get_
symbol - get_
total_ num_ hs - get_
total_ valence - mol_
sanitize_ exception_ type - mol_
to_ molblock - mol_
to_ smiles - new_
smiles_ parser_ params - ro_
mol_ update_ property_ cache - set_
bool_ prop - set_
float_ prop - set_
formal_ charge - set_
int_ prop - set_
num_ explicit_ hs - set_
prop - smiles_
parser_ params_ get_ sanitize - smiles_
parser_ params_ set_ sanitize - smiles_
to_ mol - smiles_
to_ mol_ with_ params