ObjCryst++  1.5CVS
Class Hierarchy
This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 12345]
oCObjCryst::AsymmetricUnitThe basic description of spacegroup asymmetric unit
oCObjCryst::Crystal::BumpMergeParStorage for anti-bump/merge parameters
oCObjCryst::WXMolecule::CellAtomStructure to store the Atom parameters
oCObjCryst::WXMolecule::CellBondStructure to store the bond current values
oCObjCryst::WXMolecule::CellBondAngleStructure to store the bond angles current values
oCObjCryst::WXMolecule::CellDihedralAngleStructure to store the dihedral angles current values
oCChronometerSimple chronometer class, with microsecond precision
oCci_char_traitsCase-insensitive string class From: Guru of the Week #29 e.g
oCObjCryst::CIFMain CIF class - parses the stream and separates data blocks, comments, items, loops
oCObjCryst::CIFData::CIFAtomAtom record
oCObjCryst::CIFDataHolds all the information from a single data_ block from a cif file
oCObjCryst::CrystalPOVRayOptionsClass to store POV-Ray output options
oCCrystArray3D< T >3D Vector (Blitz++ mimic) for ObjCryst++
oCCrystMatrix< T >2D Vector library (Blitz++ mimic) for ObjCryst++
oCCrystVector< T >Vector library (Blitz++ mimic) for ObjCryst++
oCCubicSplineCubic spline interpolation
oCObjCryst::Molecule::FlipGroupWhen 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
oCFormatFloatOutput a number as a formatted float:
oCFormatHorizVector< T >Format vector as horiz array:
oCFormatIntOutput a number as a formatted integer:
oCFormatStringOutput a string with a fixed length (adding necessary space or removing excess characters) :
oCFormatVertVector< T >Output one or several vectors as (a) column(s):
oCFormatVertVectorHKLFloats< T >Output vectors as column arrays, with the first 3 columns printed as integers
oCObjCryst::PeakList::hklOne observed diffraction line, to be indexed
oCObjCryst::PeakList::hkl0One set of Miller indices, a possible indexation for a reflection
oCObjCryst::OptimizationObj::LogLikelihoodStatsStatistics about each object contributing to the overall Log(likelihood)
oCObjCryst::LSQNumObj(Quick & dirty) Least-Squares Refinement Object with Numerical derivatives
oCObjCryst::LSQRegularizationOperatorSimple Regularization Operator for the Least-Squares Refinement
oCObjCryst::MainTrackerA class to hold all trackers
oCObjCryst::MDAtomGroupGroups of atoms that can be moved using molecular dynamics principles, taking a list of restraints as ptential
oCObjCryst::MolAtomMolAtom : atom inside a Molecule
oCObjCryst::MolRingRing class
oCObjCryst::MolZAtomLight-weight representation of an atom in the molecule, as a part of a Z-matrix
oCObjCryst::Crystal::NeighbourInteratomic distance for a given neighbour
oCObjCryst::Crystal::NeighbourHoodTable of neighbours for a given unique atom
oCObjCryst::ObjCrystExceptionException class for ObjCryst++ library
oCObjCryst::ObjRegistry< T >Object Registry
oCObjCryst::OptimizationObjBase object for Optimization methods
oCObjCryst::PDFCrystal::pdfAtomContainer of temp data for each atom
oCObjCryst::PeakListClass to store positions of observed reflections
oCObjCryst::QuaternionA quaternion class, used to represent the orientation of the molecule
oCObjCryst::RecUnitCellLightweight class describing the reciprocal unit cell, for the fast computation of d*_hkl^2
oCObjCryst::RefinableObjGeneric Refinable Object
oCObjCryst::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
oCObjCryst::PowderPatternDiffraction::ReflProfileProfile of a single reflection
oCObjCryst::RefObjOptBase class for options
oCObjCryst::RefParTypeClass of refinable parameter types
oCObjCryst::RestraintRestraint: generic class for a restraint of a given model
oCObjCryst::RigidGroupRigid groups of atoms inside a molecule
oCObjCryst::Molecule::RotorGroupDefines a group of atoms which can be rotated around an axis defined by two other atoms
oCObjCryst::WXCrystal::RowScattPowStructure to store the scattering power parameters
oCObjCryst::ScatteringComponentA scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower
oCObjCryst::ScatteringComponentListList of scattering positions in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower
oCObjCryst::ScatteringCorrBase class to compute all kind of corrections to intensities: Lorentz, Polar, absorption, texcture, extinction, etc..
oCObjCryst::SpaceGroup::SMxStruct to store rot+trans matrix
oCObjCryst::SpaceGroupThe crystallographic space group, and the cell choice
oCObjCryst::SpeedTestReportStructure to hold the results of a speedtest (see ObjCryst::SpeedTest())
oCObjCryst::StretchModeAbstract base Stretch Mode for Molecule objects
oCObjCryst::Molecule::StretchModeGroupGroup of concurrent StretchModes (affecting common restraints) A given stretch mode can only belong to one group
oCObjCryst::SymmetricPairCompare< T >Class to compare pairs of objects, with the two objects playing a symmetric role
oCObjCryst::TexturePhaseMarchDollaseOne texture phase for the March-Dollase model
oCObjCryst::TrackerA class to track the variation of parameters as a function of a number of cycles/trials
oCObjCryst::SpaceGroup::TRxStruct to store trans matrix
oCObjCryst::WXCRYST_IDClass to automatically assign a unique wxID to each window
oCObjCryst::WXCrystObjBasicAbstract base class for all objects in wxCryst
oCObjCryst::WXCrystObjBasicListA List of WXCrystObjBasic
oCObjCryst::WXGlobalOptimRunThreadClass for a GlobalOptimization thread
oCObjCryst::wxMultiChoiceDialog_ListBoxProvides 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)
oCObjCryst::WXPowderPatternGraphClass to display a Powder Pattern (calc,obs) in a graphic window
oCObjCryst::XMLCrystTagClass to input or output a well-formatted xml beginning or ending tag
oCObjCryst::XYZStructure holding 3 coordinates, or deriviatives with respect to each of these coordinates
\CObjCryst::ZAtomClass for individual atoms in a ZScatterer Object