AsymmetricUnit | The basic description of spacegroup asymmetric unit |
Atom | The basic atom scatterer, in a crystal. This class records the position of the atom, and has a pointer to its ScatteringPowerAtom. -
Note:
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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)
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Crystal | Crystal class: Unit cell, spacegroup, scatterers |
CrystMatrix | 2D Vector library (Blitz++ mimic) for ObjCryst++ |
CrystVector | Vector library (Blitz++ mimic) for ObjCryst++ |
CubicSpline | Cubic spline interpolation |
DiffractionDataSingleCrystal | DiffractionData object for Single Crystal analysis |
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 |
GlobalOptimObj | Base object for Global Optimization method |
GlobalScatteringPower | Global 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 |
ObjCrystException | Exception class for ObjCryst++ library |
ObjRegistry | Refinable Object Registry |
PowderPattern | Powder pattern class, with an observed pattern and several calculated components to modelize the spectrum |
PowderPatternBackground | Phase 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) |
PowderPatternComponent | Generic class to compute components (eg the contribution of a given phase, or background) of a powder pattern. This is an abstract base class |
PowderPatternDiffraction | Class to compute the contribution to a powder pattern from a crystalline phase |
Radiation | Class to define the radiation (type, monochromaticity, wavelength(s)) of an experiment |
RefinableObj | Generic Refinable Object |
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... The clock values have nothing to do with 'time' as any normal person undestands it |
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 |
RefParType | Class of refinable parameter types |
Scatterer | Generic type of scatterer: can be an atom, or a more complex assembly of atoms |
ScatteringComponent | A scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower. Also given is the |
ScatteringComponentList | List of scattering positions in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower |
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 |
SpaceGroup | The crystallographic space group, and the cell choice |
WXAtom | WxCryst class for Atoms |
WXCostFunction | Field for a RefinableObj cost function |
WXCrystal | WxCryst class for Crystals |
WXCrystMenuBar | Our own local menu bar, using buttons and Popup menus |
WXCrystObj | Base class for all displayed ObjCryst objects (with a title, and a sizer to stack objects) |
WXCrystObjBasic | Abstract base class for all objects in wxCryst |
WXCrystObjBasicList | A List of WXCrystObjBasic |
WXField | This is the abstract base class for all fields, wether they contain a floating-point parameter, or a string,.. |
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 |
WXFieldName | A field with the name of a WXCrystObj |
WXFieldOption | WX representation of a RefObj option. This displays the names of the different choices |
WXFieldPar | A field for a parameter. Template version. If the parameter is a RefinablePar, use WXFieldRefPar instead |
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 |
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 |
WXGLCrystalCanvas | Class for 3D OpenGL display of Crystal structures |
WXGlobalOptimObj | WX Class for a Global Optimization objects |
WXGlobalOptimRunThread | Class for a GlobalOPtimization thread |
WXPowderPattern | WX Class for PowderPattern objects |
WXPowderPatternBackground | Class to display a Powder Pattern Background |
WXPowderPatternDiffraction | Class to display a Powder Pattern for a crystalline phase |
WXPowderPatternGraph | Class to display a Powder Pattern (calc,obs) in a graphic window |
WXRadiation | WX Class for Radiation |
WXRefinableObj | The base wxCryst class for all RefinableObj objects. This shows the title, a menu for XMLInput/XMLOutput, and all RefObjOpt |
WXRegistry | This displays all components of a ObjCryst++ Registry |
WXScatterer | Base wxCryst class for Scatterers |
WXScatteringPowerAtom | WxCryst class for ScatteringPowerAtom |
XMLCrystTag | Class to input or output a well-formatted xml beginning or ending tag |
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.. |
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 |
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 |