formula() const | MolecularFormula | |
MolecularFormula(const Ref< Molecule > &m) | MolecularFormula | |
MolecularFormula(const Molecule *m) (defined in MolecularFormula) | MolecularFormula | |
natomtypes() | MolecularFormula | |
nZ(int itype) | MolecularFormula | |
Z(int itype) | MolecularFormula | |
~MolecularFormula() (defined in MolecularFormula) | MolecularFormula |