►NObjCryst | The namespace which includes all objects (crystallographic and algorithmic) in ObjCryst++ |
CAsymmetricUnit | The basic description of spacegroup asymmetric unit |
CAtom | The basic atom scatterer, in a crystal |
CBBox | |
CCellExplorer | Algorithm class to find the correct indexing from observed peak positions |
CCIF | Main CIF class - parses the stream and separates data blocks, comments, items, loops |
►CCIFData | Holds all the information from a single data_ block from a cif file |
CCIFAtom | Atom record |
►CCrystal | Crystal class: Unit cell, spacegroup, scatterers |
CBumpMergePar | Storage for anti-bump/merge parameters |
CNeighbour | Interatomic distance for a given neighbour |
CNeighbourHood | Table of neighbours for a given unique atom |
CCrystalPOVRayOptions | Class to store POV-Ray output options |
CDiffractionDataSingleCrystal | DiffractionData object for Single Crystal analysis |
CGlobalScatteringPower | Global Scattering Power |
CLorentzCorr | Lorentz Correction |
CLSQNumObj | (Quick & dirty) Least-Squares Refinement Object with Numerical derivatives |
CMainTracker | A class to hold all trackers |
CMDAtomGroup | Groups of atoms that can be moved using molecular dynamics principles, taking a list of restraints as ptential |
CMolAtom | MolAtom : atom inside a Molecule |
CMolBond | Bond between two atoms, also a restraint on the associated bond length |
CMolBondAngle | Bond angle restraint between 3 atoms |
CMolDihedralAngle | Dihedral angle restraint between 4 atoms |
►CMolecule | Molecule : class for complex scatterer descriptions using cartesian coordinates with bond length/angle restraints, and moves either of individual atoms or using torsion bonds |
CFlipGroup | 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 |
CRotorGroup | Defines a group of atoms which can be rotated around an axis defined by two other atoms |
CStretchModeGroup | Group of concurrent StretchModes (affecting common restraints) A given stretch mode can only belong to one group |
CMolRing | Ring class |
CMolZAtom | Light-weight representation of an atom in the molecule, as a part of a Z-matrix |
CMonteCarloObj | Base object for Monte-Carlo Global Optimization methods |
CNiftyStaticGlobalObjectsInitializer_Crystal | |
CNiftyStaticGlobalObjectsInitializer_RefinableObj | |
CNiftyStaticGlobalObjectsInitializer_Scatterer | |
CNiftyStaticGlobalObjectsInitializer_ScatteringData | |
CNiftyStaticGlobalObjectsInitializer_ScatteringPower | |
CNiftyStaticGlobalObjectsInitializer_UnitCell | |
CObjCrystException | Exception class for ObjCryst++ library |
CObjRegistry | Object Registry |
►COptimizationObj | Base object for Optimization methods |
CDynamicObjWeight | |
CLogLikelihoodStats | Statistics about each object contributing to the overall Log(likelihood) |
►CPeakList | Class to store positions of observed reflections |
Chkl | One observed diffraction line, to be indexed |
Chkl0 | One set of Miller indices, a possible indexation for a reflection |
CPolarizationCorr | Polarization Correction |
CPowderPattern | Powder pattern class, with an observed pattern and several calculated components to modelize the pattern |
CPowderPatternBackground | Phase to compute a background contribution to a powder pattern using an interpolation |
CPowderPatternBackgroundBayesianMinimiser | This object is used to estimate the background in a powder pattern, using a Bayesian approach (David & Sivia, Acta Cryst A50 (1994), 703) |
CPowderPatternComponent | Generic class to compute components (eg the contribution of a given phase, or background) of a powder pattern |
►CPowderPatternDiffraction | Class to compute the contribution to a powder pattern from a crystalline phase |
CReflProfile | Profile of a single reflection |
CPowderSlitApertureCorr | Slit aperture correction (for powder) |
CQuaternion | A quaternion class, used to represent the orientation of the molecule |
CRadiation | Class to define the radiation (type, monochromaticity, wavelength(s)) of an experiment |
CRecUnitCell | Lightweight class describing the reciprocal unit cell, for the fast computation of d*_hkl^2 |
CRefinableObj | Generic Refinable Object |
CRefinableObjClock | 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 |
CRefinablePar | Generic class for parameters of refinable objects |
CReflectionProfile | Abstract base class for reflection profiles |
CReflectionProfileDoubleExponentialPseudoVoigt | Double-Exponential Pseudo-Voigt profile for TOF |
CReflectionProfilePseudoVoigt | Pseudo-Voigt reflection profile |
CReflectionProfilePseudoVoigtAnisotropic | Pseudo-Voigt reflection profile, with 6-parameters anisotropic Lorentzian broadening and Toraya asymmetric modelling |
CRefObjOpt | Base class for options |
CRefObjOption | Class for options of RefinableObj, templated so that we can warn the object that something has been changed |
CRefParType | Class of refinable parameter types |
CRestraint | Restraint: generic class for a restraint of a given model |
CRigidGroup | Rigid groups of atoms inside a molecule |
CScatterer | Generic type of scatterer: can be an atom, or a more complex assembly of atoms |
CScatteringComponent | A scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower |
CScatteringComponentList | List of scattering positions in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower |
CScatteringCorr | Base class to compute all kind of corrections to intensities: Lorentz, Polar, absorption, texcture, extinction, etc.. |
CScatteringData | Class to compute structure factors for a set of reflections and a Crystal |
CScatteringPower | Abstract Base Class to describe the scattering power of any Scatterer component in a crystal |
CScatteringPowerAtom | The Scattering Power for an Atom |
CScatteringPowerSphere | \ brief ScatteringPower for a spherical particule |
CSimplexObj | Conjugate Gradient Algorithm object |
►CSpaceGroup | The crystallographic space group, and the cell choice |
CSMx | Struct to store rot+trans matrix |
CTRx | Struct to store trans matrix |
CSpeedTestReport | Structure to hold the results of a speedtest (see ObjCryst::SpeedTest()) |
CStretchMode | Abstract base Stretch Mode for Molecule objects |
CStretchModeBondAngle | Atoms moved when changing a bond angle |
CStretchModeBondLength | Group of atoms for random moves changing a bond length |
CStretchModeTorsion | Atoms moved when rotated around a bond at0-at1-at2-at3 |
CStretchModeTwist | 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 |
CSymmetricPairCompare | Class to compare pairs of objects, with the two objects playing a symmetric role |
CTextureEllipsoid | Texture correction using the Ellipsoidal preferred orientation function |
CTextureMarchDollase | Texture correction using the March-Dollase model |
CTexturePhaseMarchDollase | One texture phase for the March-Dollase model |
Ctmp_C_Numeric_locale | This class only serves to temporarilly set the LC_NUMERIC C locale to "C", in order to use ' |
CTOFCorr | Time-Of-Flight Correction |
CTracker | A class to track the variation of parameters as a function of a number of cycles/trials |
CTrackerObject | Tracker for objects (RefinableObj, Crystal, PowderPattern, RefPar,...) |
CTriple | |
CUnitCell | Unit Cell class: Unit cell with spacegroup information |
CWXAtom | WxCryst class for Atoms |
CWXCRYST_ID | Class to automatically assign a unique wxID to each window |
►CWXCrystal | WxCryst class for Crystals |
CRowScattPow | Structure to store the scattering power parameters |
CWXCrystalScrolledGridWindow | |
CWXCrystMenuBar | Our own local menu bar, using buttons and Popup menus |
CWXCrystObj | Base class for all displayed ObjCryst objects (with a title, and a sizer to stack objects) |
CWXCrystObjBasic | Abstract base class for all objects in wxCryst |
CWXCrystObjBasicList | A List of WXCrystObjBasic |
CWXDiffractionSingleCrystal | WX Class for DiffractionDataSingleCrystal objects |
CWXField | This is the abstract base class for all fields, wether they contain a floating-point parameter, or a string,.. |
CWXFieldChoice | Class to pick one choice.. |
CWXFieldName | A field with the name of a WXCrystObj |
CWXFieldOption | WX representation of a RefObj option. This displays the names of the different choices |
CWXFieldPar | A field for a parameter |
CWXFieldParBase | A field for a parameter |
CWXFieldRefPar | A field for a RefinablePar |
CWXFieldString | A field which directly links to a string |
CWXGlobalOptimRunThread | Class for a GlobalOptimization thread |
CWXLSQ | |
CWXMolAtom | Wx class for MolAtom objects |
CWXMolBond | Wx class for MolBond objects |
CWXMolBondAngle | Wx class for MolBondAngle objects |
CWXMolDihedralAngle | Wx class for MolDihedralAngle objects |
►CWXMolecule | WxCryst class for Molecule objects |
CCellAtom | Structure to store the Atom parameters |
CCellBond | Structure to store the bond current values |
CCellBondAngle | Structure to store the bond angles current values |
CCellDihedralAngle | Structure to store the dihedral angles current values |
CCellRigidGroup | |
CWXMolScrolledWindow | |
CWXMonteCarloObj | Class for Graphical interface to Monte-Carlo objects (Simulated Annealing, Parallel Tempering) |
CwxMultiChoiceDialog_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) |
►CWXMultiGraph | |
CGraphData | |
CWXOptimizationObj | WX Class for a Global Optimization objects |
CWXPowderPattern | WX Class for PowderPattern objects |
CWXPowderPatternBackground | Class to display a Powder Pattern Background |
CWXPowderPatternDiffraction | Class to display a Powder Pattern for a crystalline phase |
CWXPowderPatternGraph | Class to display a Powder Pattern (calc,obs) in a graphic window |
CWXProfileDoubleExponentialPseudoVoigt | Class to display a Powder Pattern Pseudo-Voigt Profile |
CWXProfilePseudoVoigt | Class to display a Powder Pattern Pseudo-Voigt Profile |
CWXProfilePseudoVoigtAnisotropic | Class to display a Powder Pattern Pseudo-Voigt Profile with Anisotropic broadening |
CWXRadiation | WX Class for Radiation |
CWXRefinableObj | The base wxCryst class for all RefinableObj objects |
CWXRegistry | This displays all components of a ObjCryst++ Registry |
CWXScatterer | Base wxCryst class for Scatterers |
CWXScatteringPowerAtom | WxCryst class for ScatteringPowerAtom |
CWXScatteringPowerSphere | WxCryst class for ScatteringPowerSphere |
CWXTextureEllipsoid | Class to display one Preferred Orientation phase using the Ellipsoid model |
CWXTextureMarchDollase | Class to display the Preferred Orientation Correction using the March-Dollase parametrization |
CWXTexturePhaseMarchDollase | Class to display one Preferred Orientation phase using the March-Dollase parametrization |
CWXTrackerGraph | |
CWXZAtom | |
CWXZScatterer | WxCryst class for ZScatterer objects |
CXMLCrystTag | Class to input or output a well-formatted xml beginning or ending tag |
CXYZ | Structure holding 3 coordinates, or deriviatives with respect to each of these coordinates |
CZAtom | Class for individual atoms in a ZScatterer Object |
CZMoveMinimizer | Class to minimize conformation changes for random moves |
CZPolyhedron | ZPolyhedron: a Scatterer to describe polyhedras such as octahedron, tetrahedron, square plane, etc.. |
CZScatterer | ZScatterer: the basic type of complex scatterers, where atom positions are defined using a standard "Z-Matrix" description |
CChronometer | Simple chronometer class, with microsecond precision |
Cci_char_traits | Case-insensitive string class From: Guru of the Week #29 e.g |
CCrystArray3D | 3D Vector (Blitz++ mimic) for ObjCryst++ |
►CCrystMatrix | 2D Vector library (Blitz++ mimic) for ObjCryst++ |
CListInitializer | |
CListInitializerSwitch | |
CCrystVector | Vector library (Blitz++ mimic) for ObjCryst++ |
CCubicSpline | Cubic spline interpolation |
CFormatFloat | Output a number as a formatted float: |
CFormatHorizVector | Format vector as horiz array: |
CFormatInt | Output a number as a formatted integer: |
CFormatString | Output a string with a fixed length (adding necessary space or removing excess characters) : |
CFormatVertVector | Output one or several vectors as (a) column(s): |
CFormatVertVectorHKLFloats | Output vectors as column arrays, with the first 3 columns printed as integers |
Cmp4Vector | |
CmpVector | |
CPOVRayColours | |
CTRIANGLE | |
Cxmm_mm_union | |