MSpin-JCoupling  2.1
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::Atominline
Atom(int z)magnes::Atominline
AtomicMass() constmagnes::Atominline
Color(float *r, float *g, float *b) constmagnes::Atom
CovalentRadius() constmagnes::Atominline
hybridization enum namemagnes::Atom
MMType() constmagnes::Atominline
NMRIsotope() constmagnes::Atom
NMRIsotopes() constmagnes::Atominline
PaulingElectronegativity() constmagnes::Atominline
PDBName() constmagnes::Atominline
Residue()magnes::Atominline
Residue() constmagnes::Atominline
SetCurrentNMRIsotope(int m)magnes::Atom
SetMMType(size_t mmtype)magnes::Atominline
SetPDBName(const std::string &name)magnes::Atominline
SetPDBResidue(PDBResidue *r)magnes::Atominline
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() constmagnes::Atominline
UNKNOWN enum value (defined in magnes::Atom)magnes::Atom
VdW() constmagnes::Atominline
Z() constmagnes::Atominline
~Atom() (defined in magnes::Atom)magnes::Atom