BondOrder() | ObjCryst::MolBond | |
GetAtom1() const | ObjCryst::MolBond | |
GetAtom1() | ObjCryst::MolBond | |
GetAtom2() const | ObjCryst::MolBond | |
GetAtom2() | ObjCryst::MolBond | |
GetBondOrder() const | ObjCryst::MolBond | |
GetDeriv(const std::map< const MolAtom *, XYZ > &m, const bool llk=false) const | ObjCryst::MolBond | |
GetLength() const | ObjCryst::MolBond | |
GetLength0() const | ObjCryst::MolBond | |
GetLengthDelta() const | ObjCryst::MolBond | |
GetLengthSigma() const | ObjCryst::MolBond | |
GetLogLikelihood() const | ObjCryst::MolBond | [virtual] |
GetLogLikelihood(const bool calcDeriv, const bool recalc) const | ObjCryst::MolBond | |
GetMolecule() const | ObjCryst::MolBond | |
GetMolecule() | ObjCryst::MolBond | |
GetName() const | ObjCryst::MolBond | |
GetType() const | ObjCryst::Restraint | [virtual] |
IsFreeTorsion() const | ObjCryst::MolBond | |
Length0() | ObjCryst::MolBond | |
LengthDelta() | ObjCryst::MolBond | |
LengthSigma() | ObjCryst::MolBond | |
mAtomPair | ObjCryst::MolBond | [private] |
mBondOrder | ObjCryst::MolBond | [private] |
mDelta | ObjCryst::MolBond | [private] |
mDerivAtom1 | ObjCryst::MolBond | [mutable, private] |
mDerivAtom2 | ObjCryst::MolBond | [mutable, private] |
mDerivLLKCoeff | ObjCryst::MolBond | [mutable, private] |
mIsFreeTorsion | ObjCryst::MolBond | [private] |
mLength0 | ObjCryst::MolBond | [private] |
mLLK | ObjCryst::MolBond | [mutable, private] |
MolBond(MolAtom &atom1, MolAtom &atom2, const REAL length, const REAL sigma, const REAL delta, Molecule &parent, const REAL bondOrder=1.) | ObjCryst::MolBond | |
mpMol | ObjCryst::MolBond | [private] |
mSigma | ObjCryst::MolBond | [private] |
Restraint() | ObjCryst::Restraint | |
Restraint(const RefParType *type) | ObjCryst::Restraint | |
SetAtom1(MolAtom &at1) | ObjCryst::MolBond | |
SetAtom2(MolAtom &at2) | ObjCryst::MolBond | |
SetBondOrder(const REAL length) | ObjCryst::MolBond | |
SetFreeTorsion(const bool isInRing) | ObjCryst::MolBond | |
SetLength0(const REAL length) | ObjCryst::MolBond | |
SetLengthDelta(const REAL length) | ObjCryst::MolBond | |
SetLengthSigma(const REAL length) | ObjCryst::MolBond | |
SetType(const RefParType *type) | ObjCryst::Restraint | [virtual] |
XMLInput(istream &is, const XMLCrystTag &tag) | ObjCryst::MolBond | [virtual] |
XMLOutput(ostream &os, int indent=0) const | ObjCryst::MolBond | [virtual] |
~MolBond() | ObjCryst::MolBond | [virtual] |
~Restraint() | ObjCryst::Restraint | [virtual] |