Angle0() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
AngleDelta() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
AngleSigma() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
CalcGradient(std::map< MolAtom *, XYZ > &m) const | ObjCryst::MolDihedralAngle | |
GetAngle() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAngle0() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAngleDelta() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAngleSigma() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom1() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom1() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom2() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom2() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom3() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom3() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom4() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetAtom4() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetDeriv(const std::map< const MolAtom *, XYZ > &m, const bool llk=false) const | ObjCryst::MolDihedralAngle | |
GetLogLikelihood() const | ObjCryst::MolDihedralAngle | virtual |
GetLogLikelihood(const bool calcDeriv, const bool recalc) const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetMolecule() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetMolecule() (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetName() const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
GetType() const (defined in ObjCryst::Restraint) | ObjCryst::Restraint | virtual |
mAngle0 (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | private |
mDelta (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | private |
mDerivAtom1 | ObjCryst::MolDihedralAngle | mutableprivate |
mDerivAtom2 (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | mutableprivate |
mDerivAtom3 (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | mutableprivate |
mDerivAtom4 (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | mutableprivate |
mDerivLLKCoeff | ObjCryst::MolDihedralAngle | mutableprivate |
mLLK | ObjCryst::MolDihedralAngle | mutableprivate |
MolDihedralAngle(MolAtom &atom1, MolAtom &atom2, MolAtom &atom3, MolAtom &atom4, const REAL angle, const REAL sigma, const REAL delta, Molecule &parent) | ObjCryst::MolDihedralAngle | |
mpMol | ObjCryst::MolDihedralAngle | private |
mSigma (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | private |
mvpAtom | ObjCryst::MolDihedralAngle | private |
Restraint() | ObjCryst::Restraint | |
Restraint(const RefParType *type) | ObjCryst::Restraint | |
SetAngle0(const REAL angle) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
SetAngleDelta(const REAL delta) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
SetAngleSigma(const REAL sigma) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
SetAtom1(MolAtom &at) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
SetAtom2(MolAtom &at) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
SetAtom3(MolAtom &at) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
SetAtom4(MolAtom &at) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | |
SetType(const RefParType *type) (defined in ObjCryst::Restraint) | ObjCryst::Restraint | virtual |
XMLInput(istream &is, const XMLCrystTag &tag) (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | virtual |
XMLOutput(ostream &os, int indent=0) const (defined in ObjCryst::MolDihedralAngle) | ObjCryst::MolDihedralAngle | virtual |
~MolDihedralAngle() | ObjCryst::MolDihedralAngle | virtual |
~Restraint() (defined in ObjCryst::Restraint) | ObjCryst::Restraint | virtual |