Heed::MoleculeDef Member List

This is the complete list of members for Heed::MoleculeDef, including all inherited members.

A_mean() const	Heed::AtomMixDef	inline
A_total() const	Heed::MoleculeDef	inline
atom() const	Heed::AtomMixDef	inline
atom(long n) const	Heed::AtomMixDef	inline
AtomMixDef()=default	Heed::AtomMixDef
AtomMixDef(unsigned long fqatom, const std::vector< std::string > &fatom_not, const std::vector< double > &fweight_quan)	Heed::AtomMixDef
AtomMixDef(unsigned long fqatom, const std::vector< std::string > &fatom_not, const std::vector< long > &fweight_quan)	Heed::AtomMixDef
AtomMixDef(const std::string &fatom_not)	Heed::AtomMixDef
AtomMixDef(const std::string &fatom_not1, double fweight_quan1, const std::string &fatom_not2, double fweight_quan2)	Heed::AtomMixDef
AtomMixDef(const std::string &fatom_not1, double fweight_quan1, const std::string &fatom_not2, double fweight_quan2, const std::string &fatom_not3, double fweight_quan3)	Heed::AtomMixDef
AtomMixDef(const std::string &fatom_not1, double fweight_quan1, const std::string &fatom_not2, double fweight_quan2, const std::string &fatom_not3, double fweight_quan3, const std::string &fatom_not4, double fweight_quan4)	Heed::AtomMixDef
copy() const	Heed::MoleculeDef	inline
get_const_logbook()	Heed::MoleculeDef	static
get_logbook()	Heed::MoleculeDef	static
get_MoleculeDef(const std::string &fnotation)	Heed::MoleculeDef	static
inv_A_mean() const	Heed::AtomMixDef	inline
mean_ratio_Z_to_A() const	Heed::AtomMixDef	inline
MoleculeDef()	Heed::MoleculeDef
MoleculeDef(const std::string &fname, const std::string &fnotation, long fqatom, const std::vector< std::string > &fatom_not, const std::vector< long > &fqatom_ps, std::shared_ptr< VanDerWaals > fvdw={})	Heed::MoleculeDef
MoleculeDef(const std::string &fname, const std::string &fnotation, const std::string &fatom_not, long fqatom_ps, std::shared_ptr< VanDerWaals > fvdw={})	Heed::MoleculeDef
MoleculeDef(const std::string &fname, const std::string &fnotation, const std::string &fatom_not1, long fqatom_ps1, const std::string &fatom_not2, long fqatom_ps2, std::shared_ptr< VanDerWaals > fvdw={})	Heed::MoleculeDef
MoleculeDef(const std::string &fname, const std::string &fnotation, const std::string &fatom_not1, long fqatom_ps1, const std::string &fatom_not2, long fqatom_ps2, const std::string &fatom_not3, long fqatom_ps3, std::shared_ptr< VanDerWaals > fvdw={})	Heed::MoleculeDef
name() const	Heed::MoleculeDef	inline
notation() const	Heed::MoleculeDef	inline
NumberOfElectronsInGram() const	Heed::AtomMixDef	inline
print(std::ostream &file, int l) const	Heed::MoleculeDef
printall(std::ostream &file)	Heed::MoleculeDef	static
qatom() const	Heed::AtomMixDef	inline
qatom_ps() const	Heed::MoleculeDef	inline
qatom_ps(long n) const	Heed::MoleculeDef	inline
tqatom() const	Heed::MoleculeDef	inline
vdw() const	Heed::MoleculeDef	inline
verify()	Heed::MoleculeDef
weight_mass() const	Heed::AtomMixDef	inline
weight_mass(long n) const	Heed::AtomMixDef	inline
weight_quan() const	Heed::AtomMixDef	inline
weight_quan(long n) const	Heed::AtomMixDef	inline
Z_mean() const	Heed::AtomMixDef	inline
Z_total() const	Heed::MoleculeDef	inline
~MoleculeDef()	Heed::MoleculeDef