Class List

Here are the classes, structs, unions and interfaces with brief descriptions:

[detail level 1234]

▼Nmagnes	Global magnes namespace
▼CAtom	Representation of an atom
▼CAtomData	Basic atomic data (Z, mass, electronegativity...)
Crgb
CIsotopeData
CBond	Representation of a chemical bond
CCCCHEquation	An specialized class for implementation of 3JCCCH karplus-like equations HCCHEquation implements convenient atom selection functions for 3JCHCH equations as well as a table with Huggins electronegativities
CChemicalShift
CCoordinate	Representaion of a 3D point
CCouplingConstant	Representation of a coupling constant between nuclei
CD1Array	Monodimensional dynamically allocated array
CD1StaticArray
CD2Array	Monodimensional array
CEnergy	A class for storing energy values
CError	A general class for storing experimental errors
CFrame	Representation of a conformer
CHCCHEquation	An specialized class for implementation of 3JHCCH karplus-like equations HCCHEquation implements convenient atom selection functions for 3JHHCH equations as well as a table with Huggins electronegativities. Implementation of 3JHHCH equations is therefore straightforward
▼CJEquation	The base class for the computation of scalar coupling constants
CParameter	Representation of a parameter in an empirical equation
CParameterSet	A set of parameters
CMolecule
CPDBResidue
CQuantumCoupling
CQuaternion	Quaternion representation
CRingPerceptor	Implementation of a ring perception algorithm
CScalar
CTensor
CThermostat	A class to manage thermodynamics