Logo Search packages:      
Sourcecode: objcryst-fox version File versions  Download package

ObjCryst Namespace Reference


Detailed Description

The namespace which includes all objects (crystallographic and algorithmic) in ObjCryst++.

Note:
It may be a good idea to separate in 3 namespaces for ObjCryst, WXObjCryst, and RefinableObj


Classes

class  AsymmetricUnit
 The basic description of spacegroup asymmetric unit. More...
class  Atom
struct  BBox
class  CellExplorer
class  CIF
class  CIFData
class  Crystal
 Crystal class: Unit cell, spacegroup, scatterers. More...
struct  CrystalPOVRayOptions
 Class to store POV-Ray output options. More...
class  DiffractionDataSingleCrystal
 DiffractionData object for Single Crystal analysis. More...
struct  DistTableInternalPosition
struct  exportAngle
struct  exportAtom
struct  exportBond
class  GlobalScatteringPower
 Global Scattering Power. Used to approximate the scattering power of a multi-atom ZScatterer (polyhedron,...) to an isotropic scattering power. More...
class  LorentzCorr
class  LSQNumObj
 (Quick & dirty) Least-Squares Refinement Object with Numerical derivatives More...
class  MainTracker
class  MolAtom
class  MolBond
class  MolBondAngle
class  MolDihedralAngle
class  Molecule
class  MolRing
struct  MolZAtom
class  MonteCarloObj
 Base object for Monte-Carlo Global Optimization methods. More...
class  NiftyStaticGlobalObjectsInitializer_Crystal
class  NiftyStaticGlobalObjectsInitializer_RefinableObj
class  NiftyStaticGlobalObjectsInitializer_Scatterer
class  NiftyStaticGlobalObjectsInitializer_ScatteringData
class  NiftyStaticGlobalObjectsInitializer_ScatteringPower
class  NiftyStaticGlobalObjectsInitializer_UnitCell
class  ObjCrystException
 Exception class for ObjCryst++ library. More...
class  ObjRegistry
class  OptimizationObj
 Base object for Optimization methods. More...
class  PDF
class  PDFCrystal
class  PDFPhase
class  PeakList
class  PolarizationCorr
class  PowderPattern
 Powder pattern class, with an observed pattern and several calculated components to modelize the pattern. More...
class  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). More...
class  PowderPatternBackgroundBayesianMinimiser
class  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. More...
class  PowderPatternDiffraction
 Class to compute the contribution to a powder pattern from a crystalline phase. More...
class  PowderSlitApertureCorr
class  Quaternion
class  Radiation
 Class to define the radiation (type, monochromaticity, wavelength(s)) of an experiment. More...
class  RecUnitCell
class  RefinableObj
 Generic Refinable Object. More...
class  RefinableObjClock
class  RefinablePar
class  ReflectionProfile
class  ReflectionProfileDoubleExponentialPseudoVoigt
class  ReflectionProfilePseudoVoigt
class  RefObjOpt
class  RefObjOption
class  RefParType
 class of refinable parameter types. More...
class  Restraint
class  RigidGroup
class  Scatterer
 Generic type of scatterer: can be an atom, or a more complex assembly of atoms. More...
struct  ScatteringComponent
 A scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower. Also given is the. More...
class  ScatteringComponentList
 list of scattering positions in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower. More...
class  ScatteringCorr
class  ScatteringData
 Class to compute structure factors for a set of reflections and a Crystal. More...
class  ScatteringPower
 Abstract Base Class to describe the scattering power of any Scatterer component in a crystal. More...
class  ScatteringPowerAtom
 The Scattering Power for an Atom. More...
class  ScatteringPowerSphere
class  SimplexObj
class  SpaceGroup
 The crystallographic space group, and the cell choice. More...
struct  SpeedTestReport
struct  StretchMode
struct  StretchModeBondAngle
struct  StretchModeBondLength
struct  StretchModeTorsion
struct  StretchModeTwist
class  SymmetricPairCompare
class  TextureMarchDollase
struct  TexturePhaseMarchDollase
class  TOFCorr
class  Tracker
class  TrackerObject
struct  Triple
class  UnitCell
 Unit Cell class: Unit cell with spacegroup information. More...
class  UserSelectBoundingBox
class  UserXYZBox
class  WXAtom
 wxCryst class for Atoms More...
class  WXCellExplorer
class  WXCRYST_ID
class  WXCrystal
 wxCryst class for Crystals More...
class  WXCrystalScrolledGridWindow
class  WXCrystMenuBar
 Our own local menu bar, using buttons and Popup menus. More...
class  WXCrystObj
class  WXCrystObjBasic
 Abstract base class for all objects in wxCryst. More...
class  WXCrystObjBasicList
 A List of WXCrystObjBasic. More...
class  WXDiffractionSingleCrystal
class  WXDiffractionSingleCrystalGraph
class  WXField
class  WXFieldChoice
class  WXFieldName
class  WXFieldOption
 WX representation of a RefObj option. This displays the names of the different choices. More...
class  WXFieldPar
class  WXFieldParBase
class  WXFieldRefPar
class  WXFieldString
class  WXGlobalOptimRunThread
 Class for a GlobalOptimization thread. More...
class  WXLSQ
class  WXMolAtom
 wx class for MolAtom objects More...
class  WXMolBond
 wx class for MolBond objects More...
class  WXMolBondAngle
 wx class for MolBondAngle objects More...
class  WXMolDihedralAngle
 wx class for MolDihedralAngle objects More...
class  WXMolecule
 wxCryst class for Molecule objects More...
class  WXMoleculeRotation
class  WXMoleculeRotationDihed
class  WXMolScrolledWindow
class  WXMonteCarloObj
class  WXMultiGraph
class  WXOptimizationObj
 WX Class for a Global Optimization objects. More...
class  WXPowderPattern
 WX Class for PowderPattern objects. More...
class  WXPowderPatternBackground
class  WXPowderPatternDiffraction
class  WXPowderPatternGraph
class  WXProfileDoubleExponentialPseudoVoigt
class  WXProfileFitting
class  WXProfilePseudoVoigt
class  WXRadiation
 WX Class for Radiation. More...
class  WXRefinableObj
class  WXRegistry
 This displays all components of a ObjCryst++ Registry. More...
class  WXScatterer
 base wxCryst class for Scatterers More...
class  WXScatteringPowerAtom
 wxCryst class for ScatteringPowerAtom More...
class  WXScatteringPowerSphere
 wxCryst class for ScatteringPowerSphere More...
class  WXTextureMarchDollase
class  WXTexturePhaseMarchDollase
class  WXTrackerGraph
class  WXZAtom
class  WXZScatterer
 wxCryst class for ZScatterer objects More...
class  XMLCrystTag
 class to input or output a well-formatted xml beginning or ending tag. More...
struct  XYZ
 Structure holding 3 coordinates, or deriviatives with respect to each of these coordinates. More...
class  ZAtom
class  ZMoveMinimizer
 Class to minimize conformation changes for random moves. Very experimental !!! More...
class  ZPolyhedron
class  ZScatterer

Enumerations

enum  {
  ID_REFOBJ_MENU_OBJ = wxID_HIGHEST+1, ID_REFOBJ_MENU_OBJ_SAVE, ID_REFOBJ_MENU_OBJ_LOAD, ID_REFOBJ_MENU_PAR,
  ID_REFOBJ_MENU_PAR_FIXALL, ID_REFOBJ_MENU_PAR_UNFIXALL, ID_REFOBJ_MENU_PAR_RANDOMIZE, ID_CRYST_UPDATEUI,
  ID_WXOBJ_COLLAPSE, ID_WXOBJ_NAME, ID_WXFIELD
}
enum  AnnealingSchedule {
  ANNEALING_CONSTANT, ANNEALING_BOLTZMANN, ANNEALING_CAUCHY, ANNEALING_EXPONENTIAL,
  ANNEALING_SMART, ANNEALING_GAMMA
}
enum  CrystalCentering {
  LATTICE_P, LATTICE_I, LATTICE_A, LATTICE_B,
  LATTICE_C, LATTICE_F
}
enum  CrystalSystem {
  TRICLINIC, MONOCLINIC, ORTHOROMBIC, HEXAGONAL,
  RHOMBOEDRAL, TETRAGONAL, CUBIC
}
enum  GlobalOptimType {
  GLOBAL_OPTIM_SIMULATED_ANNEALING, GLOBAL_OPTIM_PARALLEL_TEMPERING, GLOBAL_OPTIM_GENETIC, GLOBAL_OPTIM_SIMULATED_ANNEALING_MULTI,
  GLOBAL_OPTIM_PARALLEL_TEMPERING_MULTI
}
enum  PowderBackgroundInterpType { POWDER_BACKGROUND_LINEAR, POWDER_BACKGROUND_CUBIC_SPLINE }
enum  RadiationType { RAD_NEUTRON, RAD_XRAY, RAD_ELECTRON }
enum  ReflectionProfileType {
  PROFILE_GAUSSIAN, PROFILE_LORENTZIAN, PROFILE_PSEUDO_VOIGT, PROFILE_PSEUDO_VOIGT_FINGER_COX_JEPHCOAT,
  PROFILE_PEARSON_VII
}
 Profile type for powder (could it be used fopr single crystals on 2D detectors ?).
enum  RefParDerivStepModel { REFPAR_DERIV_STEP_ABSOLUTE, REFPAR_DERIV_STEP_RELATIVE }
enum  RegularPolyhedraType {
  TETRAHEDRON, OCTAHEDRON, SQUARE_PLANE, CUBE,
  ANTIPRISM_TETRAGONAL, PRISM_TETRAGONAL_MONOCAP, PRISM_TETRAGONAL_DICAP, PRISM_TRIGONAL,
  PRISM_TRIGONAL_TRICAPPED, ICOSAHEDRON, TRIANGLE_PLANE
}
enum  SampleType { SAMPLE_SINGLE_CRYSTAL, SAMPLE_POWDER }
 Sample type (not used yet).
enum  WavelengthType {
  WAVELENGTH_MONOCHROMATIC, WAVELENGTH_ALPHA12, WAVELENGTH_TOF, WAVELENGTH_MAD,
  WAVELENGTH_DAFS, WAVELENGTH_LAUE
}

Functions

CrystVector_REAL AsymmetryBerarBaldinozzi (const CrystVector_REAL theta, const REAL fwhm, const REAL center, const REAL A0, const REAL A1, const REAL B0, const REAL B1)
 Asymmetry function [Ref J. Appl. Cryst 26 (1993), 128-129.
MoleculeAtoms2Molecule (list< Atom * > &vAtom)
void BuildRingRecursive (MolAtom *currentAtom, MolAtom *previousAtom, const map< MolAtom *, set< MolAtom * > > &connect, list< MolAtom * > &atomlist, set< list< MolAtom * > > &ringlist)
void BuildZMatrixRecursive (long &z, const long curr, const vector< MolAtom * > &vpAtom, const map< MolAtom *, set< MolAtom * > > &connT, vector< MolZAtom > &zmatrix, const map< const MolAtom *, long > &vIndex, vector< long > &vZIndex, vector< long > &vrZIndex)
float CIFNumeric2Float (const std::string &s)
float CIFNumeric2Float (const string &s)
int CIFNumeric2Int (const std::string &s)
int CIFNumeric2Int (const string &s)
string CIFReadValue (stringstream &in, char &lastc)
 Read one value, whether it is numeric, string or text.
bool compareHKL_d (const PeakList::hkl &d1, const PeakList::hkl &d2)
template<class T, class U>
bool comparePairFirst (std::pair< T, U > &p1, std::pair< T, U > &p2)
bool compareRUCScore (std::pair< RecUnitCell, float > &p1, std::pair< RecUnitCell, float > &p2)
void CompareWorlds (const CrystVector_long &idx, const CrystVector_long &swap, const RefinableObj &obj)
string CompressString (const string &s, const string &c)
CrystalCreateCrystalFromCIF (CIF &cif)
PowderPatternCreatePowderPatternFromCIF (CIF &cif)
DiffractionDataSingleCrystalCreateSingleCrystalDataFromCIF (CIF &cif, Crystal *pcryst)
GLvoid crystGLPrint (const string &s)
void DeleteLibCrystTabulCosine ()
void DeleteLibCrystTabulExp ()
bool DichoIndexed (const PeakList &dhkl, const RecUnitCell &uc, const RecUnitCell &duc, const unsigned int nbUnindexed=0, const bool verbose=false, unsigned int useStoredHKL=0, const unsigned int maxNbMissingBelow5=0)
float EstimateCellVolume (const float dmin, const float dmax, const float nbrefl, const CrystalSystem system, const CrystalCentering centering, const float kappa)
WXPowderPatternBackground::OnMenuOptimizeBayesianBackground EVT_GRID_CMD_CELL_CHANGE (ID_POWDERBACKGROUND_GRID, WXPowderPatternBackground::OnEditGridBackgroundPoint) EVT_MENU(ID_POWDERBACKGROUND_NEWBAYESIAN
 EVT_MENU (ID_POWDERDIFF_SAVEHKLFCALC, WXPowderPatternDiffraction::OnMenuSaveHKLFcalc) WXPowderPatternDiffraction
 EVT_MENU (ID_POWDERBACKGROUND_IMPORT, WXPowderPatternBackground::OnMenuImportUserBackground) EVT_MENU(ID_POWDERBACKGROUND_OPTIMIZEBAYESIAN
void ExpandAtomGroupRecursive (MolAtom *atom, const map< MolAtom *, set< MolAtom * > > &connect, set< MolAtom * > &atomlist, const MolAtom *finalAtom)
template<class T>
std::complex< T > ExponentialIntegral1 (const complex< T > z)
template<class T>
std::complex< T > ExponentialIntegral1_ExpZ (const complex< T > z)
REAL FlatLorentzianIntegral (const REAL x1, const REAL x2, const REAL sigma, const REAL delta)
REAL FlatLorentzianProba (const REAL x, const REAL sigma, const REAL delta)
void(*) fpObjCrystInformUser (const string &)
 Pointer to a function for passing info to the user during or after long/important processes (use scarcely!).
REAL GetBondAngle (const MolAtom &, const MolAtom &, const MolAtom &)
 Get The Bond Angle of 3 atoms.
REAL GetBondLength (const MolAtom &, const MolAtom &)
 Get The Bond Length between two atoms.
REAL GetDihedralAngle (const MolAtom &, const MolAtom &, const MolAtom &, const MolAtom &)
 Get The dihedral angle defined by 4 atoms.
void GetRefParListClockRecursive (ObjRegistry< RefinableObj > &reg, RefinableObjClock &clock)
 Get the last time any RefinablePar was added in a recursive list of objects.
void GetSubRefObjListClockRecursive (ObjRegistry< RefinableObj > &reg, RefinableObjClock &clock)
 Get the last time any object was added in the recursive list of objects.
void ImagGeomStructFactor (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void ImagGeomStructFactor_1 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &isf)
void ImagGeomStructFactor_2 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &isf)
void ImagGeomStructFactor_230 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &isf)
void ImagGeomStructFactor_67 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &isf)
void ImagGeomStructFactor_67_cba (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void ImagGeomStructFactor_67a_cb (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void ImagGeomStructFactor_67ba_c (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void ImagGeomStructFactor_67bca (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void ImagGeomStructFactor_67cab (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void ImagGeomStructFactor_97 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &isf)
void ImagGeomStructFactor_centro (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &isf)
void InitLibCrystTabulCosine ()
void InitLibCrystTabulExp ()
float InputFloat (istream &is, const char endchar)
bool iseol (const char c)
bool ISNAN_OR_INF (REAL r)
 Test if the value is a NaN.
REAL LorentzianBiasedRandomMove (const REAL x0, const REAL sigma, const REAL delta, const REAL amplitude)
MoleculeMakeAntiPrismTetragonal (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL d)
MoleculeMakeCube (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL d)
MoleculeMakeIcosahedron (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL d)
MoleculeMakeOctahedron (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL dist)
MoleculeMakePrismTrigonal (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL d)
MoleculeMakeSquarePlane (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL d)
MoleculeMakeTetrahedron (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL dist)
MoleculeMakeTriangle (Crystal &cryst, const string &name, const ScatteringPower *centralAtom, const ScatteringPower *peripheralAtom, const REAL d)
const unsigned long MaxNbSavedSets (1000)
 Maximum number of saved sets of parameters.
void ObjCrystInformUserStdOut (const string &str)
ostream & operator<< (ostream &, const XMLCrystTag &)
 Output an XMLCrystTag to a stream.
istream & operator>> (istream &, XMLCrystTag &)
 Input an XMLCrystTag from a stream.
CrystVector_REAL PowderProfileGauss (const CrystVector_REAL ttheta, const REAL fw, const REAL center, const REAL asym)
CrystVector_REAL PowderProfileGauss (const CrystVector_REAL theta, const REAL fwhm, const REAL asymmetryPar=1.)
 Gaussian, normalized (ie integral is equal to 1), as a function of theta and of the FWHM. The input is an array of the theta values. The maximum of the function is in theta=0. If asymmetry is used, negative tth values must be first.
CrystVector_REAL PowderProfileLorentz (const CrystVector_REAL ttheta, const REAL fw, const REAL center, const REAL asym)
CrystVector_REAL PowderProfileLorentz (const CrystVector_REAL theta, const REAL fwhm, const REAL asymmetryPar=1.)
 Lorentzian, normalized (ie integral is equal to 1), as a function of theta and of the FWHM. The input is an array of the theta values. The maximum of the function is in theta=0. If asymmetry is used, negative tth values must be first.
void RealGeomStructFactor (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_1 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_2 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_230 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_67 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_67_cba (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_67a_cb (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_67ba_c (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_67bca (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_67cab (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
void RealGeomStructFactor_97 (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &rsf)
template void RefObjRegisterRecursive (RefinableObj &obj, ObjRegistry< RefinableObj > &reg)
template<class T>
void RefObjRegisterRecursive (T &obj, ObjRegistry< T > &reg)
float Score (const PeakList &dhkl, const RecUnitCell &ruc, const unsigned int nbSpurious=0, const bool verbose=false, const bool storehkl=false, const bool storePredictedHKL=false)
 Compute score for a candidate RecUnitCell and a PeakList.
bool SimilarRUC (const RecUnitCell &c0, const RecUnitCell &c1, const float delta=0.005)
SpeedTestReport SpeedTest (const unsigned int nbAtom, const int nbAtomType, const string spacegroup, const RadiationType radiation, const unsigned long nbReflections, const unsigned int dataType, const REAL time)
list< string > SplitString (const string &str, const string &separator)
void TestLorentzianBiasedRandomMove ()
void WXCrystValidateAllUserInput ()
template const XMLCrystTagWXDialogChooseFromRegistry (const ObjRegistry< XMLCrystTag > &, wxWindow *, const string &, int &)
template const OptimizationObjWXDialogChooseFromRegistry (const ObjRegistry< OptimizationObj > &, wxWindow *, const string &, int &)
template const
DiffractionDataSingleCrystal
WXDialogChooseFromRegistry (const ObjRegistry< DiffractionDataSingleCrystal > &, wxWindow *, const string &, int &)
template const
PowderPatternComponent
WXDialogChooseFromRegistry (const ObjRegistry< PowderPatternComponent > &, wxWindow *, const string &, int &)
template const PowderPatternWXDialogChooseFromRegistry (const ObjRegistry< PowderPattern > &, wxWindow *, const string &, int &)
template const ZAtomWXDialogChooseFromRegistry (const ObjRegistry< ZAtom > &, wxWindow *, const string &, int &)
template const
ScatteringPowerAtom
WXDialogChooseFromRegistry (const ObjRegistry< ScatteringPowerAtom > &, wxWindow *, const string &, int &)
template const ScatteringPowerWXDialogChooseFromRegistry (const ObjRegistry< ScatteringPower > &, wxWindow *, const string &, int &)
template const ScattererWXDialogChooseFromRegistry (const ObjRegistry< Scatterer > &, wxWindow *, const string &, int &)
template const CrystalWXDialogChooseFromRegistry (const ObjRegistry< Crystal > &, wxWindow *, const string &, int &)
template const RefinableObjWXDialogChooseFromRegistry (const ObjRegistry< RefinableObj > &, wxWindow *, const string &, int &)
template<class T>
const T * WXDialogChooseFromRegistry (const ObjRegistry< T > &reg, wxWindow *parent, const string &message, int &choice)
template XMLCrystTagWXDialogChooseFromRegistry (ObjRegistry< XMLCrystTag > &, wxWindow *, const string &, int &)
template OptimizationObjWXDialogChooseFromRegistry (ObjRegistry< OptimizationObj > &, wxWindow *, const string &, int &)
template
DiffractionDataSingleCrystal
WXDialogChooseFromRegistry (ObjRegistry< DiffractionDataSingleCrystal > &, wxWindow *, const string &, int &)
template PowderPatternComponentWXDialogChooseFromRegistry (ObjRegistry< PowderPatternComponent > &, wxWindow *, const string &, int &)
template PowderPatternWXDialogChooseFromRegistry (ObjRegistry< PowderPattern > &, wxWindow *, const string &, int &)
template ZAtomWXDialogChooseFromRegistry (ObjRegistry< ZAtom > &, wxWindow *, const string &, int &)
template ScatteringPowerAtomWXDialogChooseFromRegistry (ObjRegistry< ScatteringPowerAtom > &, wxWindow *, const string &, int &)
template ScatteringPowerWXDialogChooseFromRegistry (ObjRegistry< ScatteringPower > &, wxWindow *, const string &, int &)
template ScattererWXDialogChooseFromRegistry (ObjRegistry< Scatterer > &, wxWindow *, const string &, int &)
template CrystalWXDialogChooseFromRegistry (ObjRegistry< Crystal > &, wxWindow *, const string &, int &)
template RefinableObjWXDialogChooseFromRegistry (ObjRegistry< RefinableObj > &, wxWindow *, const string &, int &)
template<class T>
T * WXDialogChooseFromRegistry (ObjRegistry< T > &reg, wxWindow *parent, const string &message, int &choice)
template<class T>
T * WXDialogChooseFromVector (vector< T * > &reg, wxWindow *parent, const string &message, int &choice)
template<class T>
T const * WXDialogChooseFromVector (const vector< T * > &reg, wxWindow *parent, const string &message, int &choice)
template<class T>
list< T const * > WXDialogChooseMultipleFromVector (const vector< T * > &reg, wxWindow *parent, const string &message)
template<class T>
list< T * > WXDialogChooseMultipleFromVector (vector< T * > &reg, wxWindow *parent, const string &message)
void XMLCrystFileLoadAllObject (std::istream &is)
 Load all 'top' objects from a file (Crystal, PowderPattern, DiffDataSingleCrystal and GlobalOptimObj objects). All objects are directly allocated, and can be accessed through their respective global registry (eg gCrystalRegistry fro a Crysta, etc...).
void XMLCrystFileLoadAllObject (istream &is)
void XMLCrystFileLoadAllObject (const string &file)
 Load all 'top' objects from a file (Crystal, PowderPattern, DiffDataSingleCrystal and GlobalOptimObj objects). All objects are directly allocated, and can be accessed through their respective global registry (eg gCrystalRegistry fro a Crysta, etc...).
template void XMLCrystFileLoadObject (const string &, const string &, const string &, MonteCarloObj *)
template void XMLCrystFileLoadObject (const string &, const string &, const string &, PowderPatternDiffraction *)
template void XMLCrystFileLoadObject (const string &, const string &, const string &, PowderPatternBackground *)
template void XMLCrystFileLoadObject (const string &, const string &, const string &, DiffractionDataSingleCrystal *)
template void XMLCrystFileLoadObject (const string &, const string &, const string &, PowderPattern *)
template void XMLCrystFileLoadObject (const string &, const string &, const string &, Crystal *)
template<class T>
void XMLCrystFileLoadObject (const string &file, const string &tagName, const string &name, T *obj)
 Load an object from a file, identifying it from its tag.
ObjRegistry< XMLCrystTagXMLCrystFileLoadObjectList (const string &filename)
 Get the list (tags) of ObjCryst objects in a file.
void XMLCrystFileSaveGlobal (std::ostream &out)
 Save all Objcryst++ objects.
void XMLCrystFileSaveGlobal (ostream &out)
void XMLCrystFileSaveGlobal (const string &filename)
 Save all Objcryst++ objects.
MoleculeZScatterer2Molecule (ZScatterer *scatt)
 Conversion from ZScatterer to the newer Molecule object. (in WXZScatterer.cpp).

Variables

static float defaultWavelength = 1.0
ofstream f
void(* fpObjCrystInformUser )(const string &) = ObjCrystInformUserStdOut
 Pointer to a function for passing info to the user during or after long/important processes (use scarcely!).
ObjRegistry< CrystalgCrystalRegistry ("List of all Crystals")
 Global registry for all Crystal objects.
ObjRegistry
< DiffractionDataSingleCrystal
gDiffractionDataSingleCrystalRegistry ("Global DiffractionDataSingleCrystal Registry")
 Global registry for all PowderPattern objects.
ObjRegistry< OptimizationObjgOptimizationObjRegistry ("List of all Optimization objects")
 Global Registry for all OptimizationObj.
ObjRegistry
< PowderPatternComponent
gPowderPatternComponentRegistry ("List of all PowderPattern Components")
 Global registry for all PowderPatternComponent objects.
ObjRegistry< PowderPatterngPowderPatternRegistry ("List of all PowderPattern objects")
 Global registry for all PowderPattern objects.
const RefParTypegpRefParTypeCrystal = 0
const RefParTypegpRefParTypeObjCryst = 0
 Top RefParType for the ObjCryst++ library.
const RefParTypegpRefParTypeRadiation = 0
const RefParTypegpRefParTypeRadiationWavelength = 0
const RefParTypegpRefParTypeScatt = 0
const RefParTypegpRefParTypeScattConform = 0
const RefParTypegpRefParTypeScattConformBondAngle = 0
const RefParTypegpRefParTypeScattConformBondLength = 0
const RefParTypegpRefParTypeScattConformDihedAngle = 0
const RefParTypegpRefParTypeScattConformX = 0
const RefParTypegpRefParTypeScattConformY = 0
const RefParTypegpRefParTypeScattConformZ = 0
const RefParTypegpRefParTypeScattData = 0
const RefParTypegpRefParTypeScattDataBackground = 0
const RefParTypegpRefParTypeScattDataCorr = 0
const RefParTypegpRefParTypeScattDataCorrInt = 0
const RefParTypegpRefParTypeScattDataCorrIntAbsorp = 0
const RefParTypegpRefParTypeScattDataCorrIntExtinc = 0
const RefParTypegpRefParTypeScattDataCorrIntPolar = 0
const RefParTypegpRefParTypeScattDataCorrPos = 0
const RefParTypegpRefParTypeScattDataProfile = 0
const RefParTypegpRefParTypeScattDataProfileAsym = 0
const RefParTypegpRefParTypeScattDataProfileType = 0
const RefParTypegpRefParTypeScattDataProfileWidth = 0
const RefParTypegpRefParTypeScattDataScale = 0
const RefParTypegpRefParTypeScattOccup = 0
const RefParTypegpRefParTypeScattOrient = 0
const RefParTypegpRefParTypeScattPow = 0
const RefParTypegpRefParTypeScattPowResonant = 0
const RefParTypegpRefParTypeScattPowTemperature = 0
const RefParTypegpRefParTypeScattPowTemperatureAniso = 0
const RefParTypegpRefParTypeScattPowTemperatureIso = 0
const RefParTypegpRefParTypeScattTransl = 0
const RefParTypegpRefParTypeScattTranslX = 0
const RefParTypegpRefParTypeScattTranslY = 0
const RefParTypegpRefParTypeScattTranslZ = 0
const RefParTypegpRefParTypeUnitCell = 0
const RefParTypegpRefParTypeUnitCellAngle = 0
const RefParTypegpRefParTypeUnitCellLength = 0
ObjRegistry< RefinableObjgRefinableObjRegistry ("Global RefinableObj registry")
 Global Registry for all RefinableObj.
ObjRegistry< ReflectionProfilegReflectionProfileRegistry ("List of all ReflectionProfile types")
 Global registry for all ReflectionProfile objects.
ObjRegistry< ScatterergScattererRegistry ("Global Scatterer Registry")
 Global registry for all Scatterer objects.
ObjRegistry< ScatteringPowerAtomgScatteringPowerAtomRegistry ("Global ScatteringPowerAtom Registry")
 Global registry for all ScatteringPowerAtom objects.
ObjRegistry< ScatteringPowergScatteringPowerRegistry ("Global ScatteringPower Registry")
 Global registry for all ScatteringPower objects.
ObjRegistry< RefinableObjgTopRefinableObjRegistry ("Global Top RefinableObj registry")
static const long ID_ATOM_SCATTPOW = WXCRYST_ID()
static long ID_BROWSE_WIN = WXCRYST_ID()
static const long ID_CELLEXPLORER_APPLYCELL = WXCRYST_ID()
static const long ID_CELLEXPLORER_CENTERED = WXCRYST_ID()
static const long ID_CELLEXPLORER_CHOOSECRYSTAL = WXCRYST_ID()
static const long ID_CELLEXPLORER_INDEX = WXCRYST_ID()
static const long ID_CELLEXPLORER_INDEX_QUICK = WXCRYST_ID()
static const long ID_CELLEXPLORER_LEBAIL = WXCRYST_ID()
static const long ID_CELLEXPLORER_SELECTCELL = WXCRYST_ID()
static const long ID_CELLEXPLORER_WEAK = WXCRYST_ID()
WXCRYST_ID ID_CRYST_MENU1
WXCRYST_ID ID_CRYST_MENU10
WXCRYST_ID ID_CRYST_MENU11
WXCRYST_ID ID_CRYST_MENU12
WXCRYST_ID ID_CRYST_MENU13
WXCRYST_ID ID_CRYST_MENU14
WXCRYST_ID ID_CRYST_MENU15
WXCRYST_ID ID_CRYST_MENU16
WXCRYST_ID ID_CRYST_MENU2
WXCRYST_ID ID_CRYST_MENU3
WXCRYST_ID ID_CRYST_MENU4
WXCRYST_ID ID_CRYST_MENU5
WXCRYST_ID ID_CRYST_MENU6
WXCRYST_ID ID_CRYST_MENU7
WXCRYST_ID ID_CRYST_MENU8
WXCRYST_ID ID_CRYST_MENU9
static const long ID_CRYSTAL_MENU_DISPLAY = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_DISPLAY_3DVIEW = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_PAR_SETRELATIVEXYZLIMITS = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SAVECIF = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SAVETEXT = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDANTIPRISMTETRAGONAL = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDATOM = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDCUBE = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDICOSAHEDRON = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDMOLECULE = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDOCTAHEDRON = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDPRISMTRIGONAL = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDSCATTPOWATOM = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDSCATTPOWSPHERE = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDSQUAREPLANE = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDTETRAHEDRON = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDTRIANGLE = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ADDZSCATTERER = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_ATOMS2MOLECULE = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_DUPLICSCATTERER = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_IMPORTATOMLIST = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_IMPORTFENSKEHALLZMATRIX = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_IMPORTNAMEDZMATRIX = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_REMOVESCATTERER = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SCATT_REMOVESCATTPOW = WXCRYST_ID()
static const long ID_CRYSTAL_MENU_SHOW_SCATTPOW_WIN = WXCRYST_ID()
static const long ID_CRYSTAL_SPACEGROUP = WXCRYST_ID()
static const long ID_CRYSTAL_WIN_ANTIBUMP = WXCRYST_ID()
static const long ID_CRYSTAL_WIN_BONDVALENCE = WXCRYST_ID()
static const long ID_CRYSTAL_WIN_SCATTPOW = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_CRYSTAL = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_DATA = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_DATA_GRAPH = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_FITSCALE_R = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_FITSCALE_RW = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_IMPORT_HKLIOBS = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_IMPORT_HKLIOBSGROUP = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_IMPORT_HKLIOBSSIGMA = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_IMPORT_JANAM91 = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_SAVEHKLFCALC = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_SAVEHKLIOBSICALC = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_SIMULATE = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_ELECTRON = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_NEUTRON = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_AG = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_AGA1 = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_CO = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_COA1 = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_CR = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_CRA1 = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_CU = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_CUA1 = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_FE = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_FEA1 = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_MO = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_SET_MOA1 = WXCRYST_ID()
static long ID_DIFFSINGLECRYST_MENU_WAVELENGTH_XRAY = WXCRYST_ID()
static const long ID_GLCRYSTAL_MENU_UPDATE = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OBJECTS = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OBJECTS_ADDCOSTFUNC = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OBJECTS_ADDOBJ = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OBJECTS_REMOVECOSTFUNC = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OBJECTS_REMOVEOBJ = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OPT = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OPT_RUN = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OPT_RUN_MULTIPLE = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_OPT_STOP = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_SOLUTIONS = WXCRYST_ID()
static long ID_GLOBALOPT_MENU_SOLUTIONS_BROWSE = WXCRYST_ID()
static const long ID_MENU_AUTOSCALE = WXCRYST_ID()
WXCRYST_ID ID_MENU_OPTIMIZECONFORMATION
WXCRYST_ID ID_MENU_SETLIMITS
static const long ID_MOLATOM_NAME = WXCRYST_ID()
static const long ID_MOLATOM_SCATTPOW = WXCRYST_ID()
WXCRYST_ID ID_MOLBOND_ATOM1
WXCRYST_ID ID_MOLBOND_ATOM2
WXCRYST_ID ID_MOLBOND_FREEBUTTON
WXCRYST_ID ID_MOLBONDANGLE_ATOM1
WXCRYST_ID ID_MOLBONDANGLE_ATOM2
WXCRYST_ID ID_MOLBONDANGLE_ATOM3
WXCRYST_ID ID_MOLDIHEDRALANGLE_ATOM1
WXCRYST_ID ID_MOLDIHEDRALANGLE_ATOM2
WXCRYST_ID ID_MOLDIHEDRALANGLE_ATOM3
WXCRYST_ID ID_MOLDIHEDRALANGLE_ATOM4
WXCRYST_ID ID_MOLECULE_CHANGE_CENTER_ATOM
WXCRYST_ID ID_MOLECULE_MENU_FILE
WXCRYST_ID ID_MOLECULE_MENU_FILE_2ZMATRIX
WXCRYST_ID ID_MOLECULE_MENU_FILE_2ZMATRIXNAMED
WXCRYST_ID ID_MOLECULE_MENU_FORMULA
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_ADD_ANGLE
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_ADD_ATOM
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_ADD_BOND
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_ADD_DIHEDRAL
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_ADD_RIGID_GROUP
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_OPTIMIZECONFORMATION
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_REMOVE_ANGLE
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_REMOVE_ATOM
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_REMOVE_BOND
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_REMOVE_DIHEDRAL
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_REMOVE_RIGID_GROUP
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_RIGIDIFY_WITH_DIHEDRALANGLES
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_SET_DELTA_SIGMA
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_SHOW_RESTRAINT
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_STATUS
WXCRYST_ID ID_MOLECULE_MENU_FORMULA_TEST
WXCRYST_ID ID_MOLECULE_MENU_GEOMETRY
WXCRYST_ID ID_MOLECULE_MENU_GEOMETRY_ROTATE_BOND
WXCRYST_ID ID_MOLECULE_MENU_GEOMETRY_ROTATE_DIHED
static const long ID_MOLECULE_ROTATE_BOND_ATOMS = WXCRYST_ID()
static const long ID_MOLECULE_ROTATE_BOND_GO = WXCRYST_ID()
static const long ID_MOLECULE_ROTATE_DIHED_ATOMS = WXCRYST_ID()
static const long ID_MOLECULE_ROTATE_DIHED_GO = WXCRYST_ID()
static const long ID_POWDER_GRAPH_NEW_PATTERN = WXCRYST_ID()
static const long ID_POWDER_MENU_ADD_2THETA_EXCLUDE = WXCRYST_ID()
static const long ID_POWDER_MENU_COMP_ADDBACKGD = WXCRYST_ID()
static const long ID_POWDER_MENU_COMP_ADDBACKGD_BAYESIAN = WXCRYST_ID()
static const long ID_POWDER_MENU_COMP_ADDCRYST = WXCRYST_ID()
static const long ID_POWDER_MENU_EXPORT = WXCRYST_ID()
static const long ID_POWDER_MENU_EXPORT_FULLPROF = WXCRYST_ID()
static const long ID_POWDER_MENU_FITSCALE_R = WXCRYST_ID()
static const long ID_POWDER_MENU_FITSCALE_RW = WXCRYST_ID()
static const long ID_POWDER_MENU_GRAPH = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_2THETAOBS = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_2THETAOBSSIGMA = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_CIF = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_CPI = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_FULLPROF = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_FULLPROF4 = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_GSAS = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_ILL_D1A5 = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_MULTIDETECTORLLBG42 = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_PSI_DMC = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_TOFISISXYSIGMA = WXCRYST_ID()
static const long ID_POWDER_MENU_IMPORT_XDD = WXCRYST_ID()
static const long ID_POWDER_MENU_LEBAIL = WXCRYST_ID()
static const long ID_POWDER_MENU_SAVETEXT = WXCRYST_ID()
static const long ID_POWDER_MENU_SIMULATE = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_NEUTRON = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_NEUTRON_TOF = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_AG = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_AGA1 = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_CO = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_COA1 = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_CR = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_CRA1 = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_CU = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_CUA1 = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_FE = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_FEA1 = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_MO = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_SET_MOA1 = WXCRYST_ID()
static const long ID_POWDER_MENU_WAVELENGTH_XRAY = WXCRYST_ID()
static const long ID_POWDERBACKGROUND_GRID = WXCRYST_ID()
static const long ID_POWDERBACKGROUND_IMPORT = WXCRYST_ID()
static const long ID_POWDERBACKGROUND_NEWBAYESIAN = WXCRYST_ID()
static const long ID_POWDERBACKGROUND_OPTIMIZEBAYESIAN = WXCRYST_ID()
static const long ID_POWDERDIFF_CRYSTAL = WXCRYST_ID()
static const long ID_POWDERDIFF_LEBAIL = WXCRYST_ID()
static const long ID_POWDERDIFF_PROFILE = WXCRYST_ID()
static const long ID_POWDERDIFF_PROFILE_DEPV = WXCRYST_ID()
static const long ID_POWDERDIFF_PROFILE_PV = WXCRYST_ID()
static const long ID_POWDERDIFF_PROFILEFITTINGMODE = WXCRYST_ID()
static const long ID_POWDERDIFF_SAVEHKLFCALC = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_ADDPEAK = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_FINDPEAKS = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_INDEX = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_LEBAIL = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_LOADPEAKS = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_REMOVEPEAK = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_SAVEPEAKS = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_TOGGLELABEL = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_TOGGPEAK = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_UPDATE = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_XSCALE_2PID = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_XSCALE_D = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_XSCALE_DATA = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_YSCALE_LINEAR = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_YSCALE_LOG10 = WXCRYST_ID()
static const long ID_POWDERGRAPH_MENU_YSCALE_SQRT = WXCRYST_ID()
static const long ID_POWDERPATTERN_MENU_COMPONENTS = WXCRYST_ID()
static const long ID_POWDERPATTERN_MENU_PATTERN = WXCRYST_ID()
static const long ID_POWDERTEXTURE_MENU_ADDPHASE = WXCRYST_ID()
static const long ID_POWDERTEXTURE_MENU_DELETEPHASE = WXCRYST_ID()
static const long ID_PROFILEFITTING_RUN = WXCRYST_ID()
static const long ID_REFPAR_POPUP_SET_LIMITS = WXCRYST_ID()
static const long ID_SCATTPOWATOM_MENU_COLOUR = WXCRYST_ID()
static const long ID_SCATTPOWATOM_MENU_COLOUR_SETRGB = WXCRYST_ID()
static const long ID_UPDATEUI = WXCRYST_ID()
WXCRYST_ID ID_WINDOW_ATOM
WXCRYST_ID ID_WINDOW_BONDANGLE
WXCRYST_ID ID_WINDOW_BONDLENGTH
WXCRYST_ID ID_WINDOW_DIHEDRALANGLE
WXCRYST_ID ID_WINDOW_RIGIDGROUP
static const long ID_WXFIELD_REFPAR = WXCRYST_ID()
static const long ID_WXFIELD_REFPAR_FIXBUTTON = WXCRYST_ID()
static const long ID_WXFIELD_REFPAR_LIMITEDBUTTON = WXCRYST_ID()
const long ID_WXOBJ_DISABLE = WXCRYST_ID()
const long ID_WXOBJ_ENABLE = WXCRYST_ID()
static const long ID_WXSCATTPOWATOM_SYMBOL = WXCRYST_ID()
static const long ID_ZATOM_ANGLE = WXCRYST_ID()
static const long ID_ZATOM_BOND = WXCRYST_ID()
static const long ID_ZATOM_DIHED = WXCRYST_ID()
static const long ID_ZATOM_NAME = WXCRYST_ID()
static const long ID_ZATOM_SCATTPOW = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_ATOM = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_ATOM_ADD = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_ATOM_CHANGE_PIVOT = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_CONVERT2MOLECULE = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_EXPORT_FHZ = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_FILE = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_IMPORT_FHZ = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_PAR_LIMITS_RELAT_ANGLE = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_PAR_LIMITS_RELAT_BOND = WXCRYST_ID()
static const long ID_ZSCATTERER_MENU_PAR_LIMITS_RELAT_DIHED = WXCRYST_ID()
static
NiftyStaticGlobalObjectsInitializer_Crystal 
NiftyStaticGlobalObjectsInitializer_Crystal_counter
static
NiftyStaticGlobalObjectsInitializer_RefinableObj 
NiftyStaticGlobalObjectsInitializer_RefinableObj_counter
static
NiftyStaticGlobalObjectsInitializer_Scatterer 
NiftyStaticGlobalObjectsInitializer_Scatterer_counter
static
NiftyStaticGlobalObjectsInitializer_ScatteringData 
NiftyStaticGlobalObjectsInitializer_ScatteringData_counter
static
NiftyStaticGlobalObjectsInitializer_ScatteringPower 
NiftyStaticGlobalObjectsInitializer_ScatteringPower_counter
static
NiftyStaticGlobalObjectsInitializer_UnitCell 
NiftyStaticGlobalObjectsInitializer_UnitCell_counter
static int sFontDisplayListBase = 0
static const REAL sLibCrystMaxTabulExp = 10.
static const REAL sLibCrystMinTabulExp = -5.
static const long sLibCrystNbTabulExp = 10000
static bool sLibCrystTabulCosineIsInit = false
static REAL sLibCrystTabulCosineRatio
static bool sLibCrystTabulExpIsInit = false
WXFieldspLastWXFieldInputNotValidated = 0
static REAL * spLibCrystTabulCosine
static REAL * spLibCrystTabulCosineSine
static REAL * spLibCrystTabulExp
static const char * swxColourNameList []


Generated by  Doxygen 1.6.0   Back to index