| ObjCryst::AsymmetricUnit | The basic description of spacegroup asymmetric unit |
| ObjCryst::Atom | The basic atom scatterer, in a crystal |
| ObjCryst::BBox | |
| ObjCryst::Crystal::BumpMergePar | Storage for anti-bump/merge parameters |
| ObjCryst::WXMolecule::CellAtom | Structure to store the Atom parameters |
| ObjCryst::WXMolecule::CellBond | Structure to store the bond current values |
| ObjCryst::WXMolecule::CellBondAngle | Structure to store the bond angles current values |
| ObjCryst::WXMolecule::CellDihedralAngle | Structure to store the dihedral angles current values |
| ObjCryst::CellExplorer | Algorithm class to find the correct indexing from observed peak positions |
| ObjCryst::WXMolecule::CellRigidGroup | |
| Chronometer | Simple chronometer class, with microsecond precision |
| ci_char_traits | Case-insensitive string class From: Guru of the Week #29 e.g.: http://gcc.gnu.org/onlinedocs/libstdc++/21_strings/gotw29a.txt |
| ObjCryst::CIF | Main CIF class - parses the stream and separates data blocks, comments, items, loops |
| ObjCryst::CIFData::CIFAtom | Atom record |
| ObjCryst::CIFData | Holds all the information from a single data_ block from a cif file |
| ObjCryst::Crystal | Crystal class: Unit cell, spacegroup, scatterers |
| ObjCryst::CrystalPOVRayOptions | Class to store POV-Ray output options |
| CrystArray3D< T > | 3D Vector (Blitz++ mimic) for ObjCryst++ |
| CrystMatrix< T > | 2D Vector library (Blitz++ mimic) for ObjCryst++ |
| CrystVector< T > | Vector library (Blitz++ mimic) for ObjCryst++ |
| CubicSpline | Cubic spline interpolation |
| ObjCryst::DiffractionDataSingleCrystal | DiffractionData object for Single Crystal analysis |
| ObjCryst::OptimizationObj::DynamicObjWeight | |
| ObjCryst::Molecule::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 |
| FormatFloat | Output a number as a formatted float: |
| FormatHorizVector< T > | 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< T > | Output one or several vectors as (a) column(s): |
| FormatVertVectorHKLFloats< T > | Output vectors as column arrays, with the first 3 columns printed as integers |
| ObjCryst::GlobalScatteringPower | Global Scattering Power |
| ObjCryst::WXMultiGraph::GraphData | |
| ObjCryst::PeakList::hkl | One observed diffraction line, to be indexed |
| ObjCryst::PeakList::hkl0 | One set of Miller indices, a possible indexation for a reflection |
| CrystMatrix< T >::ListInitializer | |
| CrystMatrix< T >::ListInitializerSwitch | |
| ObjCryst::OptimizationObj::LogLikelihoodStats | Statistics about each object contributing to the overall Log(likelihood) |
| ObjCryst::LorentzCorr | Lorentz Correction |
| ObjCryst::LSQNumObj | (Quick & dirty) Least-Squares Refinement Object with Numerical derivatives |
| ObjCryst::MainTracker | A class to hold all trackers |
| ObjCryst::MDAtomGroup | Groups of atoms that can be moved using molecular dynamics principles, taking a list of restraints as ptential |
| ObjCryst::MolAtom | MolAtom : atom inside a Molecule |
| ObjCryst::MolBond | Bond between two atoms, also a restraint on the associated bond length |
| ObjCryst::MolBondAngle | Bond angle restraint between 3 atoms |
| ObjCryst::MolDihedralAngle | Dihedral angle restraint between 4 atoms |
| ObjCryst::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 |
| ObjCryst::MolRing | Ring class |
| ObjCryst::MolZAtom | Light-weight representation of an atom in the molecule, as a part of a Z-matrix |
| ObjCryst::MonteCarloObj | Base object for Monte-Carlo Global Optimization methods |
| mp4Vector | |
| mpVector | |
| ObjCryst::Crystal::Neighbour | Interatomic distance for a given neighbour |
| ObjCryst::Crystal::NeighbourHood | Table of neighbours for a given unique atom |
| ObjCryst::NiftyStaticGlobalObjectsInitializer_Crystal | |
| ObjCryst::NiftyStaticGlobalObjectsInitializer_RefinableObj | |
| ObjCryst::NiftyStaticGlobalObjectsInitializer_Scatterer | |
| ObjCryst::NiftyStaticGlobalObjectsInitializer_ScatteringData | |
| ObjCryst::NiftyStaticGlobalObjectsInitializer_ScatteringPower | |
| ObjCryst::NiftyStaticGlobalObjectsInitializer_UnitCell | |
| ObjCryst::ObjCrystException | Exception class for ObjCryst++ library |
| ObjCryst::ObjRegistry< T > | Object Registry |
| ObjCryst::OptimizationObj | Base object for Optimization methods |
| ObjCryst::PeakList | Class to store positions of observed reflections |
| ObjCryst::PolarizationCorr | Polarization Correction |
| POVRayColours | |
| ObjCryst::PowderPattern | Powder pattern class, with an observed pattern and several calculated components to modelize the pattern |
| ObjCryst::PowderPatternBackground | Phase to compute a background contribution to a powder pattern using an interpolation |
| ObjCryst::PowderPatternBackgroundBayesianMinimiser | This object is used to estimate the background in a powder pattern, using a Bayesian approach (David & Sivia, Acta Cryst A50 (1994), 703) |
| ObjCryst::PowderPatternComponent | Generic class to compute components (eg the contribution of a given phase, or background) of a powder pattern |
| ObjCryst::PowderPatternDiffraction | Class to compute the contribution to a powder pattern from a crystalline phase |
| ObjCryst::PowderSlitApertureCorr | Slit aperture correction (for powder) |
| ObjCryst::Quaternion | A quaternion class, used to represent the orientation of the molecule |
| ObjCryst::Radiation | Class to define the radiation (type, monochromaticity, wavelength(s)) of an experiment |
| ObjCryst::RecUnitCell | Lightweight class describing the reciprocal unit cell, for the fast computation of d*_hkl^2 |
| ObjCryst::RefinableObj | Generic Refinable Object |
| ObjCryst::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. Since the clock() function is not precise enough (and is architecture-dependant), we use a custom time, which records the number of events in the program which uses the library. This is purely internal, so don't worry about it.. |
| ObjCryst::RefinablePar | Generic class for parameters of refinable objects |
| ObjCryst::ReflectionProfile | Abstract base class for reflection profiles |
| ObjCryst::ReflectionProfileDoubleExponentialPseudoVoigt | Double-Exponential Pseudo-Voigt profile for TOF |
| ObjCryst::ReflectionProfilePseudoVoigt | Pseudo-Voigt reflection profile |
| ObjCryst::PowderPatternDiffraction::ReflProfile | Profile of a single reflection |
| ObjCryst::RefObjOpt | Base class for options |
| ObjCryst::RefObjOption< T > | Class for options of RefinableObj, templated so that we can warn the object that something has been changed |
| ObjCryst::RefParType | Class of refinable parameter types |
| ObjCryst::Restraint | Restraint: generic class for a restraint of a given model |
| ObjCryst::RigidGroup | Rigid groups of atoms inside a molecule |
| ObjCryst::Molecule::RotorGroup | Defines a group of atoms which can be rotated around an axis defined by two other atoms |
| ObjCryst::WXCrystal::RowScattPow | Structure to store the scattering power parameters |
| ObjCryst::Scatterer | Generic type of scatterer: can be an atom, or a more complex assembly of atoms |
| ObjCryst::ScatteringComponent | A scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower |
| ObjCryst::ScatteringComponentList | List of scattering positions in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower |
| ObjCryst::ScatteringCorr | Base class to compute all kind of corrections to intensities: Lorentz, Polar, absorption, texcture, extinction, etc |
| ObjCryst::ScatteringData | Class to compute structure factors for a set of reflections and a Crystal |
| ObjCryst::ScatteringPower | Abstract Base Class to describe the scattering power of any Scatterer component in a crystal |
| ObjCryst::ScatteringPowerAtom | The Scattering Power for an Atom |
| ObjCryst::ScatteringPowerSphere | \ brief ScatteringPower for a spherical particule |
| ObjCryst::SimplexObj | Conjugate Gradient Algorithm object |
| ObjCryst::SpaceGroup::SMx | Struct to store rot+trans matrix |
| ObjCryst::SpaceGroup | The crystallographic space group, and the cell choice |
| ObjCryst::SpeedTestReport | Structure to hold the results of a speedtest (see ObjCryst::SpeedTest()) |
| ObjCryst::StretchMode | Abstract base Stretch Mode for Molecule objects |
| ObjCryst::StretchModeBondAngle | Atoms moved when changing a bond angle |
| ObjCryst::StretchModeBondLength | Group of atoms for random moves changing a bond length |
| ObjCryst::Molecule::StretchModeGroup | Group of concurrent StretchModes (affecting common restraints) A given stretch mode can only belong to one group |
| ObjCryst::StretchModeTorsion | Atoms moved when rotated around a bond at0-at1-at2-at3 |
| ObjCryst::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 |
| ObjCryst::SymmetricPairCompare< T > | Class to compare pairs of objects, with the two objects playing a symmetric role |
| ObjCryst::TextureMarchDollase | Texture correction using the March-Dollase model |
| ObjCryst::TexturePhaseMarchDollase | One texture phase for the March-Dollase model |
| ObjCryst::TOFCorr | Time-Of-Flight Correction |
| ObjCryst::Tracker | A class to track the variation of parameters as a function of a number of cycles/trials |
| ObjCryst::TrackerObject< T > | Tracker for objects (RefinableObj, Crystal, PowderPattern, RefPar, |
| TRIANGLE | |
| ObjCryst::Triple | |
| ObjCryst::SpaceGroup::TRx | Struct to store trans matrix |
| ObjCryst::UnitCell | Unit Cell class: Unit cell with spacegroup information |
| ObjCryst::WXAtom | WxCryst class for Atoms |
| ObjCryst::WXCRYST_ID | Class to automatically assign a unique wxID to each window |
| ObjCryst::WXCrystal | WxCryst class for Crystals |
| ObjCryst::WXCrystalScrolledGridWindow | |
| ObjCryst::WXCrystMenuBar | Our own local menu bar, using buttons and Popup menus |
| ObjCryst::WXCrystObj | Base class for all displayed ObjCryst objects (with a title, and a sizer to stack objects) |
| ObjCryst::WXCrystObjBasic | Abstract base class for all objects in wxCryst |
| ObjCryst::WXCrystObjBasicList | A List of WXCrystObjBasic |
| ObjCryst::WXDiffractionSingleCrystal | WX Class for DiffractionDataSingleCrystal objects |
| ObjCryst::WXField | This is the abstract base class for all fields, wether they contain a floating-point parameter, or a string, |
| ObjCryst::WXFieldChoice | Class to pick one choice... Choice change/update is handled by the WXCrystObj owner, who should grab the incoming event. Useful, for example, to change the scattering power associated to an atom |
| ObjCryst::WXFieldName | A field with the name of a WXCrystObj |
| ObjCryst::WXFieldOption | WX representation of a RefObj option. This displays the names of the different choices |
| ObjCryst::WXFieldPar< T > | A field for a parameter. Template version. If the parameter is a RefinablePar, use WXFieldRefPar instead |
| ObjCryst::WXFieldParBase | A field for a parameter. This is a an abstract bas class, which can handle events (the real classes to use is the templated WXFieldPar class). If the parameter is a RefinablePar, use WXFieldRefPar |
| ObjCryst::WXFieldRefPar | A field for a RefinablePar. This shows the 'human' value of the parameter, and allows the modification of the parameter. A button allows to fix/unfix the parameter |
| ObjCryst::WXFieldString | A field which directly links to a string |
| ObjCryst::WXGlobalOptimRunThread | Class for a GlobalOptimization thread |
| ObjCryst::WXLSQ | |
| ObjCryst::WXMolAtom | Wx class for MolAtom objects |
| ObjCryst::WXMolBond | Wx class for MolBond objects |
| ObjCryst::WXMolBondAngle | Wx class for MolBondAngle objects |
| ObjCryst::WXMolDihedralAngle | Wx class for MolDihedralAngle objects |
| ObjCryst::WXMolecule | WxCryst class for Molecule objects |
| ObjCryst::WXMolScrolledWindow | |
| ObjCryst::WXMonteCarloObj | Class for Graphical interface to Monte-Carlo objects (Simulated Annealing, Parallel Tempering) |
| ObjCryst::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) |
| ObjCryst::WXMultiGraph | |
| ObjCryst::WXOptimizationObj | WX Class for a Global Optimization objects |
| ObjCryst::WXPowderPattern | WX Class for PowderPattern objects |
| ObjCryst::WXPowderPatternBackground | Class to display a Powder Pattern Background |
| ObjCryst::WXPowderPatternDiffraction | Class to display a Powder Pattern for a crystalline phase |
| ObjCryst::WXPowderPatternGraph | Class to display a Powder Pattern (calc,obs) in a graphic window |
| ObjCryst::WXProfileDoubleExponentialPseudoVoigt | Class to display a Powder Pattern Pseudo-Voigt Profile |
| ObjCryst::WXProfilePseudoVoigt | Class to display a Powder Pattern Pseudo-Voigt Profile |
| ObjCryst::WXRadiation | WX Class for Radiation |
| ObjCryst::WXRefinableObj | The base wxCryst class for all RefinableObj objects. This shows the title, a menu for XMLInput/XMLOutput, and all RefObjOpt |
| ObjCryst::WXRegistry< T > | This displays all components of a ObjCryst++ Registry |
| ObjCryst::WXScatterer | Base wxCryst class for Scatterers |
| ObjCryst::WXScatteringPowerAtom | WxCryst class for ScatteringPowerAtom |
| ObjCryst::WXScatteringPowerSphere | WxCryst class for ScatteringPowerSphere |
| ObjCryst::WXTextureMarchDollase | Class to display the Preferred Orientation Correction using the March-Dollase parametrization |
| ObjCryst::WXTexturePhaseMarchDollase | Class to display one Preferred Orientation phase using the March-Dollase parametrization |
| ObjCryst::WXTrackerGraph | |
| ObjCryst::WXZAtom | |
| ObjCryst::WXZScatterer | WxCryst class for ZScatterer objects |
| ObjCryst::XMLCrystTag | Class to input or output a well-formatted xml beginning or ending tag |
| ObjCryst::XYZ | Structure holding 3 coordinates, or deriviatives with respect to each of these coordinates |
| ObjCryst::ZAtom | Class for individual atoms in a ZScatterer Object. This class is purely internal to ZScatterer, so should not be used for any other purpose.. |
| ObjCryst::ZMoveMinimizer | Class to minimize conformation changes for random moves |
| ObjCryst::ZPolyhedron | ZPolyhedron: a Scatterer to describe polyhedras such as octahedron, tetrahedron, square plane, etc... These are ZScatterer objects, so that even if they are initialized with constraints, these can be removed to make any configuration |
| ObjCryst::ZScatterer | ZScatterer: the basic type of complex scatterers, where atom positions are defined using a standard "Z-Matrix" description. This is used to describe inorganic polyhedras, as well as molecules |
