Here are the classes, structs, unions and interfaces with brief descriptions:
[detail level 123]
  ObjCryst | The namespace which includes all objects (crystallographic and algorithmic) in ObjCryst++ |
   Atom | The basic atom scatterer, in a crystal |
| CIFData | Holds all the information from a single data_ block from a cif file |
 CIFAtom | Atom record |
| CIF | Main CIF class - parses the stream and separates data blocks, comments, items, loops |
| Crystal | Crystal class: Unit cell, spacegroup, scatterers |
| BumpMergePar | Storage for anti-bump/merge parameters |
| Neighbour | Interatomic distance for a given neighbour |
| NeighbourHood | Table of neighbours for a given unique atom |
| DiffractionDataSingleCrystal | DiffractionData object for Single Crystal analysis |
| ObjCrystException | Exception class for ObjCryst++ library |
| SymmetricPairCompare | Class to compare pairs of objects, with the two objects playing a symmetric role |
| CrystalPOVRayOptions | Class to store POV-Ray output options |
| RecUnitCell | Lightweight class describing the reciprocal unit cell, for the fast computation of d*_hkl^2 |
| PeakList | Class to store positions of observed reflections |
| hkl | One observed diffraction line, to be indexed |
| hkl0 | One set of Miller indices, a possible indexation for a reflection |
| CellExplorer | Algorithm class to find the correct indexing from observed peak positions |
| XYZ | Structure holding 3 coordinates, or deriviatives with respect to each of these coordinates |
| MolAtom | MolAtom : atom inside a Molecule |
| MolBond | Bond between two atoms, also a restraint on the associated bond length |
| MolBondAngle | Bond angle restraint between 3 atoms |
| MolDihedralAngle | Dihedral angle restraint between 4 atoms |
| MolRing | Ring class |
| Quaternion | A quaternion class, used to represent the orientation of the molecule |
| RigidGroup | Rigid groups of atoms inside a molecule |
| StretchMode | Abstract base Stretch Mode for Molecule objects |
| StretchModeBondLength | Group of atoms for random moves changing a bond length |
| StretchModeBondAngle | Atoms moved when changing a bond angle |
| StretchModeTorsion | Atoms moved when rotated around a bond at0-at1-at2-at3 |
| StretchModeTwist | Atoms moved between two other atoms, using a "twist" *of their positions - only small twists of their positions are allowed to avoid breaking restraints too much |
| MDAtomGroup | Groups of atoms that can be moved using molecular dynamics principles, taking a list of restraints as ptential |
| MolZAtom | Light-weight representation of an atom in the molecule, as a part of a Z-matrix |
| Molecule | Molecule : class for complex scatterer descriptions using cartesian coordinates with bond length/angle restraints, and moves either of individual atoms or using torsion bonds |
| FlipGroup | When 3(A1..1n) or more atoms are connected to a same atom A, it defines a 'flip' group, where it is possible to rotate bonds to their symmetric with respect to one plane defined by atoms Ai-A-Aj |
| RotorGroup | Defines a group of atoms which can be rotated around an axis defined by two other atoms |
| StretchModeGroup | Group of concurrent StretchModes (affecting common restraints) A given stretch mode can only belong to one group |
| PDF | Main class for Pair distribution function calculations and comparison to observed one |
| PDFPhase | Contribution to a PDF |
| PDFCrystal | Class for Pair Distribution Function calculations for a single Crystal object |
| pdfAtom | Container of temp data for each atom |
| PowderPatternComponent | Generic class to compute components (eg the contribution of a given phase, or background) of a powder pattern |
| PowderPatternBackground | Phase to compute a background contribution to a powder pattern using an interpolation |
| PowderPatternDiffraction | Class to compute the contribution to a powder pattern from a crystalline phase |
| ReflProfile | Profile of a single reflection |
| PowderPattern | Powder pattern class, with an observed pattern and several calculated components to modelize the pattern |
| PowderPatternBackgroundBayesianMinimiser | This object is used to estimate the background in a powder pattern, using a Bayesian approach (David & Sivia, Acta Cryst A50 (1994), 703) |
| ReflectionProfile | Abstract base class for reflection profiles |
| ReflectionProfilePseudoVoigt | Pseudo-Voigt reflection profile |
| ReflectionProfileDoubleExponentialPseudoVoigt | Double-Exponential Pseudo-Voigt profile for TOF |
| Scatterer | Generic type of scatterer: can be an atom, or a more complex assembly of atoms |
| ScatteringCorr | Base class to compute all kind of corrections to intensities: Lorentz, Polar, absorption, texcture, extinction, etc.. |
| LorentzCorr | Lorentz Correction |
| PolarizationCorr | Polarization Correction |
| PowderSlitApertureCorr | Slit aperture correction (for powder) |
| TexturePhaseMarchDollase | One texture phase for the March-Dollase model |
| TextureMarchDollase | Texture correction using the March-Dollase model |
| TOFCorr | Time-Of-Flight Correction |
| Radiation | Class to define the radiation (type, monochromaticity, wavelength(s)) of an experiment |
| ScatteringData | Class to compute structure factors for a set of reflections and a Crystal |
| ScatteringPower | Abstract Base Class to describe the scattering power of any Scatterer component in a crystal |
| ScatteringPowerAtom | The Scattering Power for an Atom |
| ScatteringComponent | A scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower |
| ScatteringComponentList | List of scattering positions in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower |
| ScatteringPowerSphere | \ brief ScatteringPower for a spherical particule |
| AsymmetricUnit | The basic description of spacegroup asymmetric unit |
| SpaceGroup | The crystallographic space group, and the cell choice |
| SMx | Struct to store rot+trans matrix |
| TRx | Struct to store trans matrix |
| SpeedTestReport | Structure to hold the results of a speedtest (see ObjCryst::SpeedTest()) |
| UnitCell | Unit Cell class: Unit cell with spacegroup information |
| GlobalScatteringPower | Global Scattering Power |
| ZAtom | Class for individual atoms in a ZScatterer Object |
| ZMoveMinimizer | Class to minimize conformation changes for random moves |
| ZScatterer | ZScatterer: the basic type of complex scatterers, where atom positions are defined using a standard "Z-Matrix" description |
| ZPolyhedron | ZPolyhedron: a Scatterer to describe polyhedras such as octahedron, tetrahedron, square plane, etc.. |
| OptimizationObj | Base object for Optimization methods |
| LogLikelihoodStats | Statistics about each object contributing to the overall Log(likelihood) |
| MonteCarloObj | Base object for Monte-Carlo Global Optimization methods |
| XMLCrystTag | Class to input or output a well-formatted xml beginning or ending tag |
| LSQNumObj | (Quick & dirty) Least-Squares Refinement Object with Numerical derivatives |
| LSQRegularizationOperator | Simple Regularization Operator for the Least-Squares Refinement |
| RefParType | Class of refinable parameter types |
| RefinableObjClock | We need to record exactly when refinable objects have been modified for the last time (to avoid re-computation), and to do that we need a precise time |
| Restraint | Restraint: generic class for a restraint of a given model |
| RefinablePar | Generic class for parameters of refinable objects |
| RefObjOpt | Base class for options |
| RefObjOption | Class for options of RefinableObj, templated so that we can warn the object that something has been changed |
| ObjRegistry | Object Registry |
| RefinableObj | Generic Refinable Object |
| SimplexObj | Conjugate Gradient Algorithm object |
| Tracker | A class to track the variation of parameters as a function of a number of cycles/trials |
| MainTracker | A class to hold all trackers |
| TrackerObject | Tracker for objects (RefinableObj, Crystal, PowderPattern, RefPar,...) |
| WXAtom | WxCryst class for Atoms |
| wxMultiChoiceDialog_ListBox | Provides the same functionnality as wxMultiChoiceDialog, but always using a wxListBox, which is much easier when selecting a large number of successive choices (using shift-click) |
| WXCRYST_ID | Class to automatically assign a unique wxID to each window |
| WXCrystObjBasic | Abstract base class for all objects in wxCryst |
| WXCrystObjBasicList | A List of WXCrystObjBasic |
| WXCrystObj | Base class for all displayed ObjCryst objects (with a title, and a sizer to stack objects) |
| WXField | This is the abstract base class for all fields, wether they contain a floating-point parameter, or a string,.. |
| WXFieldString | A field which directly links to a string |
| WXFieldName | A field with the name of a WXCrystObj |
| WXFieldParBase | A field for a parameter |
| WXFieldPar | A field for a parameter |
| WXFieldChoice | Class to pick one choice.. |
| WXCrystMenuBar | Our own local menu bar, using buttons and Popup menus |
| WXCrystal | WxCryst class for Crystals |
| RowScattPow | Structure to store the scattering power parameters |
| WXDiffractionSingleCrystal | WX Class for DiffractionDataSingleCrystal objects |
| WXOptimizationObj | WX Class for a Global Optimization objects |
| WXGlobalOptimRunThread | Class for a GlobalOptimization thread |
| WXMonteCarloObj | Class for Graphical interface to Monte-Carlo objects (Simulated Annealing, Parallel Tempering) |
| WXMolAtom | Wx class for MolAtom objects |
| WXMolBond | Wx class for MolBond objects |
| WXMolBondAngle | Wx class for MolBondAngle objects |
| WXMolDihedralAngle | Wx class for MolDihedralAngle objects |
| WXMolecule | WxCryst class for Molecule objects |
| CellAtom | Structure to store the Atom parameters |
| CellBond | Structure to store the bond current values |
| CellBondAngle | Structure to store the bond angles current values |
| CellDihedralAngle | Structure to store the dihedral angles current values |
| WXPowderPattern | WX Class for PowderPattern objects |
| WXPowderPatternGraph | Class to display a Powder Pattern (calc,obs) in a graphic window |
| WXPowderPatternBackground | Class to display a Powder Pattern Background |
| WXTexturePhaseMarchDollase | Class to display one Preferred Orientation phase using the March-Dollase parametrization |
| WXTextureMarchDollase | Class to display the Preferred Orientation Correction using the March-Dollase parametrization |
| WXPowderPatternDiffraction | Class to display a Powder Pattern for a crystalline phase |
| WXProfilePseudoVoigt | Class to display a Powder Pattern Pseudo-Voigt Profile |
| WXProfileDoubleExponentialPseudoVoigt | Class to display a Powder Pattern Pseudo-Voigt Profile |
| WXRadiation | WX Class for Radiation |
| WXFieldRefPar | A field for a RefinablePar |
| WXFieldOption | WX representation of a RefObj option. This displays the names of the different choices |
| WXRegistry | This displays all components of a ObjCryst++ Registry |
| WXRefinableObj | The base wxCryst class for all RefinableObj objects |
| WXScatterer | Base wxCryst class for Scatterers |
| WXScatteringPowerAtom | WxCryst class for ScatteringPowerAtom |
| WXScatteringPowerSphere | WxCryst class for ScatteringPowerSphere |
| WXZScatterer | WxCryst class for ZScatterer objects |
| Chronometer | Simple chronometer class, with microsecond precision |
| ci_char_traits | Case-insensitive string class From: Guru of the Week #29 e.g |
| CrystArray3D | 3D Vector (Blitz++ mimic) for ObjCryst++ |
| CrystMatrix | 2D Vector library (Blitz++ mimic) for ObjCryst++ |
| CrystVector | Vector library (Blitz++ mimic) for ObjCryst++ |
| CubicSpline | Cubic spline interpolation |
| FormatFloat | Output a number as a formatted float: |
| FormatHorizVector | Format vector as horiz array: |
| FormatInt | Output a number as a formatted integer: |
| FormatString | Output a string with a fixed length (adding necessary space or removing excess characters) : |
| FormatVertVector | Output one or several vectors as (a) column(s): |
| FormatVertVectorHKLFloats | Output vectors as column arrays, with the first 3 columns printed as integers |
