MSpin-JCoupling
2.1
magnes
Atom
magnes::Atom Member List
This is the complete list of members for
magnes::Atom
, including all inherited members.
Atom
() (defined in
magnes::Atom
)
magnes::Atom
Atom
(const std::string &symbol)
magnes::Atom
inline
Atom
(int z)
magnes::Atom
inline
AtomicMass
() const
magnes::Atom
inline
Color
(float *r, float *g, float *b) const
magnes::Atom
CovalentRadius
() const
magnes::Atom
inline
hybridization
enum name
magnes::Atom
MMType
() const
magnes::Atom
inline
NMRIsotope
() const
magnes::Atom
NMRIsotopes
() const
magnes::Atom
inline
PaulingElectronegativity
() const
magnes::Atom
inline
PDBName
() const
magnes::Atom
inline
Residue
()
magnes::Atom
inline
Residue
() const
magnes::Atom
inline
SetCurrentNMRIsotope
(int m)
magnes::Atom
SetMMType
(size_t mmtype)
magnes::Atom
inline
SetPDBName
(const std::string &name)
magnes::Atom
inline
SetPDBResidue
(PDBResidue *r)
magnes::Atom
inline
SetSymbol
(const std::string &symbol)
magnes::Atom
SetZ
(int z)
magnes::Atom
SP
enum value (defined in
magnes::Atom
)
magnes::Atom
SP2
enum value (defined in
magnes::Atom
)
magnes::Atom
SP3
enum value (defined in
magnes::Atom
)
magnes::Atom
Symbol
() const
magnes::Atom
inline
UNKNOWN
enum value (defined in
magnes::Atom
)
magnes::Atom
VdW
() const
magnes::Atom
inline
Z
() const
magnes::Atom
inline
~Atom
() (defined in
magnes::Atom
)
magnes::Atom
Generated by
1.8.12