Function hydrocarbon (exists in testing) will generate a molecule with an inputted number of carbon atoms with all the connected hydrogen atoms as well.
Unit tests also work and the positions are accurate to 6 decimal places.
In trying to build the test executable, the important parts of the covalent radii file were commented out. These should be edited when reviewed.
Function hydrocarbon (exists in testing) will generate a molecule with an inputted number of carbon atoms with all the connected hydrogen atoms as well.
Unit tests also work and the positions are accurate to 6 decimal places.
In trying to build the test executable, the important parts of the covalent radii file were commented out. These should be edited when reviewed.