Member ObjCryst::DiffractionDataSingleCrystal::DiffractionDataSingleCrystal (const bool regist=true)

Use the constructor passing a crystal structure instead.

Member ObjCryst::ImagGeomStructFactor (const REAL x, const REAL y, const REAL z, const CrystVector_REAL &h, const CrystVector_REAL &k, const CrystVector_REAL &l, CrystVector_REAL &isf)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::PowderPattern::GetPowderPatternXStep () const

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::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)

Member ObjCryst::RefinableObj::AddPar (const RefinablePar &newRefPar)

Use the next function, which supplies the parameter as a pointer, and avoids a useless copy.

Note: : if a parameter is added and its name is already used by another, its name will be automatically appended with an ~

Member ObjCryst::RefinableObj::BeginOptimization (const bool allowApproximations=false, const bool enableRestraints=false)

if true, then restrained parameters will be allowed to go beyond theur hard limits. This implies that the algorithm will take into account the cost (penalty) related to the restraints. Objects which do not use restraints will simply ignore this. WARNING: this parameter may be removed with the new likelihood scheme.

Member ObjCryst::ScatteringData::GenHKLFullSpace (const REAL maxTheta, const bool unique=false)

Rather use PowderPattern::GenHKLFullSpace2, with a maximum sin(theta)/lambda value, which also works for dispersive experiments.

Member ObjCryst::WXCrystObjBasic::wxDEPRECATED (virtual void BottomLayout(WXCrystObjBasic *pChild))

: use instead wxWindow::Layout() + wxTheApp->GetTopWindow()->SendSizeEvent();

Member ObjCryst::WXPowderPatternGraph::SetPattern (const CrystVector_REAL &obs, const CrystVector_REAL &calc, const REAL tthetaMin, const REAL tthetaStep, const CrystVector_REAL &sigma, const CrystVector_REAL &chi2Cumul)

Rather, use the new WXPowderPatternGraph::SetPattern() which takes a full vector of x coordinates rather than min & step