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harlem Class List

Here are the classes, structs, unions and interfaces with brief descriptions:
AltChemStateClass to define an alternative protonation (or redox) state of the AtomList
AtomCollection< Abstract class for Atom Collection
AtomIteratorAbstract class for an iterator on collections of atoms
AtomIteratorMoleculeAtom iterator class to browse atoms of the molecule
AtomIteratorMolSetAtom iterator class to browse atoms of the molecular set
AtomIteratorMolSet_constConst Atom iterator class to browse atoms of the molecular set
AtomListClass to define a list of atoms
AtomListIteratorAtom iterator class to browse atoms of the Atom List
AtomListIteratorMolSetIterator class to browse Named Atom lists of the molecular set
AtomNodeAxxiliary class for attaching missing atoms
BiblDB< Class to access my Bibliographic Database from HARLEM
BondIteratorMoleculeBond iterator class to browse bonds of the molecule
BondIteratorMolSetBond iterator class to browse bonds of the molecular set
Canvas3DClass to define Window to Plot 3D Images
CGridDlg< Class that contain grid control
ChemGroupClass to define Chemical(Functional) Atom Group object
ChemGroupIteratorIterator class to browse Chemical Groups of the molecular set
CmdParserClass to process RASMOL-like text commands
ComputerAccountClass to describe Remote Computer Account
DNAIntCrdDlg< Class to Manipulate Nucleic Acids Internal Coordinates
ElectrostModClass to perform continuum electrostatic calculations on the grid
ETCouplThe module to perform computations of donor/acceptor ET coupling
ETPath< class for coupling path between two nodes
ExprClass to define logical or arithmetical expression
Fortran_matrix< T >A simple 1-based, column oriented Matrix class
GauBasisSetClass to represent Gaussian Basis Set in HARLEM
GauFileClass to represent Gaussian RWF file and its IO operations:
GauShell
HaAtBasDB< Class to define database of quantum chemical gaussian basis sets in HARLEM
HaAtomClass to define Atom object
HaAtomBasis
HaAtomBasisRefClass to define Atom Basis Reference to extract Atom Basis from the database:
HaBondClass to define Bond object
HaChain< Class to define chain of residues
HaCompModParent class for computational modules in HARLEM
HaDaltonClass to control Quantum Chemical calculations using Dalton program
HaField3DClass for a scalar field on a rectangular grid
HaGaussianClass to control quantum chemical calculations with the GAUSSIAN program
HaGrp4MatID< class for ID of 4-group index matrix
HaHBondClass to define Hydrogen Bond object
HaInterMolModClass to simulate docking between two molecules
HaMat_doubleClass for two-dimensional matrix of doubles
HaMatDBClass to define Database of group-group submatricies
HaMinimizerClass to minimize a function of multiple variables
HaMoleculeClass to define a single Molecule object
HaMolMechModComputational module to perform Molecular Mechanics computations
HaMolSetClass to describe a collection of molecules - Central Class of HARLEM
HaMolViewClass for 3D representation of a set of molecules
HaOper1eClass for general 1e operator
HaOperGradOperator Delta ( Gradient)
HaOperKinEnerKinetic Energy Operator
HaOperRElectric Dipole moment operator
HaOperRDeltOperator R X Grad ( -i Magnetic moment operator)
HaOperTClass for kinetic energy operator
HaOperVClass to potential energy operator
HaQCModClass to perform quantum chemical calculations on the molecule
HaResDBClass to define Residue Database
HaResidueClass to define Residue in a polymer or bioplymer chain
HarlemAppClass for the HARLEM application
HaRPAHamClass to define CIS or RPA Hamiltonian
HaRPAResolvClass to define CIS or RPA Resolvent operator
HaRPAvec< Class to define RPA vector
HaStringCharacter string object in HARLEM based on STL string
HaSurfaceClass to define surface build from triangles
HaVec_doubleClass for a numerical array of doubles
HBondIteratorMolSetBond iterator class to browse Hydrogen Bonds of the molecular set
IntCrdNodeInternal coordinate node to specify
MatPointPoint with a mass, charge and VdW parameters usually associated with an atom
MMBondValence bond in the Molecular mechanics model
MMDihedralDihedral Angle in Molecular Mechanics Module
MMNonBndParamNon-bonded (VdW) parameter in Molecular Mechanics model
MMValAngleValence Angle in Molecular Mechanics Module
MolMechDlgDialog Class to control Molecular Mechanics module
MultiVarFunctorAbstract class for function of multiple variables - use as parent class to use with minimizers
NuclAcidDlgClass for Interface to Nucleic Acid Modeling module
NuclAcidModComputational module to model Nucleic Acids
NumVector< T >Numerical vector class
Object3DClass to define 3D objects that can be displayed and manipulated
Partition< Class for the partion of atoms of the Molecular Set into cubic sections to speed up some algorithm requiring cycles on nearby atoms
PointCollectionAbstract class of collections(group) of points in 3D space
PointIteratorAbstract class for an iterator on collections of points in 3D space (3D vectors)
PolyPolygon class for plotting
PtrDoubleMapMap of pointers to real numbers
PtrDoubleMap_itrIterator class of a map of pointers to real numbers
PtrPtrMapMap of pointers to pointers
PtrPtrMap_itrIterator class of a map of pointers to pointers
ResidueIteratorMoleculeResidue iterator class to browse residues of the molecule
ResidueIteratorMolSetResidue iterator class to browse residues of the molecular set
ShadeDescClass to define a basic color
ShadeRefClass that desribe position the basic color(shade) in the array of shades Shade[] and in array of colors Lut[]
StrDoubleMapMap of strings to real numbers
StrDoubleMap_itrIterator class of a map of strings to real numbers
StrStrMapMap of strings to strings
StrStrMap_itrIterator class of a map of strings to strings
StrVecClass for a vector of strings
Vec3DClass to define 3D vector or a point in 3D space
VertVertice of a polygon for plotting

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