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ObjCryst++ Compound List

Here are the classes, structs, unions and interfaces with brief descriptions:
AsymmetricUnitThe basic description of spacegroup asymmetric unit
AtomThe basic atom scatterer, in a crystal. This class records the position of the atom, and has a pointer to its ScatteringPowerAtom.
Note:
there can be 'Dummy' atoms, for which the used symbol is "X", and which have no scattering power (use with caution: dummy atoms are only supposed to be used within ZScatterer)
CrystalCrystal class: Unit cell, spacegroup, scatterers
CrystMatrix2D Vector library (Blitz++ mimic) for ObjCryst++
CrystVectorVector library (Blitz++ mimic) for ObjCryst++
CubicSplineCubic spline interpolation
DiffractionDataSingleCrystalDiffractionData object for Single Crystal analysis
FormatFloatOutput a number as a formatted float:
FormatHorizVectorFormat vector as horiz array:
FormatIntOutput a number as a formatted integer:
FormatStringOutput a string with a fixed length (adding necessary space or removing excess characters) :
FormatVertVectorOutput one or several vectors as (a) column(s):
FormatVertVectorHKLFloatsOutput vectors as column arrays, with the first 3 columns printed as integers
GlobalOptimObjBase object for Global Optimization method
GlobalScatteringPowerGlobal Scattering Power. Used to approximate the scattering power of a multi-atom ZScatterer (polyhedron,...) to an isotropic scattering power
LSQNumObj(Quick & dirty) Least-Squares Refinement Object with Numerical derivatives
ObjCrystExceptionException class for ObjCryst++ library
ObjRegistryRefinable Object Registry
PowderPatternPowder pattern class, with an observed pattern and several calculated components to modelize the spectrum
PowderPatternBackgroundPhase to compute a background contribution to a powder pattern using an interpolation. Currently only linear interpolation is available. (in the works: cubic spline interpolation background)
PowderPatternComponentGeneric class to compute components (eg the contribution of a given phase, or background) of a powder pattern. This is an abstract base class
PowderPatternDiffractionClass to compute the contribution to a powder pattern from a crystalline phase
RadiationClass to define the radiation (type, monochromaticity, wavelength(s)) of an experiment
RefinableObjGeneric Refinable Object
RefinableObjClockWe 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... The clock values have nothing to do with 'time' as any normal person undestands it
RefinableParGeneric class for parameters of refinable objects
RefObjOptBase class for options
RefObjOptionClass for options of RefinableObj, templated so that we can warn the object that something has been changed
RefParTypeClass of refinable parameter types
ScattererGeneric type of scatterer: can be an atom, or a more complex assembly of atoms
ScatteringComponentA scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower. Also given is the
ScatteringComponentListList of scattering positions in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower
ScatteringDataClass to compute structure factors for a set of reflections and a Crystal
ScatteringPowerAbstract Base Class to describe the scattering power of any Scatterer component in a crystal
ScatteringPowerAtomThe Scattering Power for an Atom
SpaceGroupThe crystallographic space group, and the cell choice
WXAtomWxCryst class for Atoms
WXCostFunctionField for a RefinableObj cost function
WXCrystalWxCryst class for Crystals
WXCrystMenuBarOur own local menu bar, using buttons and Popup menus
WXCrystObjBase class for all displayed ObjCryst objects (with a title, and a sizer to stack objects)
WXCrystObjBasicAbstract base class for all objects in wxCryst
WXCrystObjBasicListA List of WXCrystObjBasic
WXFieldThis is the abstract base class for all fields, wether they contain a floating-point parameter, or a string,..
WXFieldChoiceClass 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
WXFieldNameA field with the name of a WXCrystObj
WXFieldOptionWX representation of a RefObj option. This displays the names of the different choices
WXFieldParA field for a parameter. Template version. If the parameter is a RefinablePar, use WXFieldRefPar instead
WXFieldParBaseA 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
WXFieldRefParA 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
WXGLCrystalCanvasClass for 3D OpenGL display of Crystal structures
WXGlobalOptimObjWX Class for a Global Optimization objects
WXGlobalOptimRunThreadClass for a GlobalOPtimization thread
WXPowderPatternWX Class for PowderPattern objects
WXPowderPatternBackgroundClass to display a Powder Pattern Background
WXPowderPatternDiffractionClass to display a Powder Pattern for a crystalline phase
WXPowderPatternGraphClass to display a Powder Pattern (calc,obs) in a graphic window
WXRadiationWX Class for Radiation
WXRefinableObjThe base wxCryst class for all RefinableObj objects. This shows the title, a menu for XMLInput/XMLOutput, and all RefObjOpt
WXRegistryThis displays all components of a ObjCryst++ Registry
WXScattererBase wxCryst class for Scatterers
WXScatteringPowerAtomWxCryst class for ScatteringPowerAtom
XMLCrystTagClass to input or output a well-formatted xml beginning or ending tag
ZAtomClass for individual atoms in a ZScatterer Object. This class is purely internal to ZScatterer, so should not be used for any other purpose..
ZPolyhedron\class ZPolyhedron include.h ObjCryst/ZScatterer.h 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
ZScattererZScatterer: 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

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