Chemistry::MoleculeInterface Member List

This is the complete list of members for Chemistry::MoleculeInterface, including all inherited members.

get_atomic_label(in long atomnum)	Chemistry::MoleculeInterface
get_atomic_number(in long atomnum)	Chemistry::MoleculeInterface
get_cart_coor(in long atomnum, in int xyz)	Chemistry::MoleculeInterface
get_charge(in long atomnum)	Chemistry::MoleculeInterface
get_coor()	Chemistry::MoleculeInterface
get_n_atom()	Chemistry::MoleculeInterface
get_net_charge()	Chemistry::MoleculeInterface
get_units()	Chemistry::MoleculeInterface
initialize(in long natom, in string unitname)	Chemistry::MoleculeInterface
set_atomic_label(in long atomnum, in string label)	Chemistry::MoleculeInterface
set_atomic_number(in long atomnum, in int atomic_number)	Chemistry::MoleculeInterface
set_cart_coor(in long atomnum, in int xyz, in double val)	Chemistry::MoleculeInterface
set_charge(in long atomnum, in double charge)	Chemistry::MoleculeInterface
set_coor(in array< double, 1 > x)	Chemistry::MoleculeInterface
set_net_charge(in double charge)	Chemistry::MoleculeInterface

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