iterate over unpaired electron permutations as well in isomorphismTest
iterate over unpaired electron permutations as well in isomorphismTest

also test 4 methods in molecule, rather than just 2.

nickvandewiele/RMG-Py,comocheng/RMG-Py,enochd/RMG-Py,enochd/RMG-Py,comocheng/RMG-Py,pierrelb/RMG-Py,nyee/RMG-Py,pierrelb/RMG-Py,nyee/RMG-Py,chatelak/RMG-Py,chatelak/RMG-Py,nickvandewiele/RMG-Py