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ObjCryst++
1.5CVS
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This is the complete list of members for ObjCryst::MolBond, including all inherited members.
| BondOrder() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| CalcGradient(std::map< MolAtom *, XYZ > &m) const | ObjCryst::MolBond | |
| GetAtom1() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetAtom1() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetAtom2() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetAtom2() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetBondOrder() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetDeriv(const std::map< const MolAtom *, XYZ > &m, const bool llk=false) const | ObjCryst::MolBond | |
| GetLength() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetLength0() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetLengthDelta() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetLengthSigma() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetLogLikelihood() const | ObjCryst::MolBond | virtual |
| GetLogLikelihood(const bool calcDeriv, const bool recalc) const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetMolecule() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetMolecule() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| GetName() const | ObjCryst::MolBond | |
| GetType() const (defined in ObjCryst::Restraint) | ObjCryst::Restraint | virtual |
| IsFreeTorsion() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| Length0() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| LengthDelta() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| LengthSigma() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| mAtomPair (defined in ObjCryst::MolBond) | ObjCryst::MolBond | private |
| mBondOrder (defined in ObjCryst::MolBond) | ObjCryst::MolBond | private |
| mDelta (defined in ObjCryst::MolBond) | ObjCryst::MolBond | private |
| mDerivAtom1 | ObjCryst::MolBond | mutableprivate |
| mDerivAtom2 (defined in ObjCryst::MolBond) | ObjCryst::MolBond | mutableprivate |
| mDerivLLKCoeff | ObjCryst::MolBond | mutableprivate |
| mIsFreeTorsion (defined in ObjCryst::MolBond) | ObjCryst::MolBond | private |
| mLength0 (defined in ObjCryst::MolBond) | ObjCryst::MolBond | private |
| mLLK | ObjCryst::MolBond | mutableprivate |
| 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 (defined in ObjCryst::MolBond) | ObjCryst::MolBond | private |
| Restraint() | ObjCryst::Restraint | |
| Restraint(const RefParType *type) | ObjCryst::Restraint | |
| SetAtom1(MolAtom &at1) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| SetAtom2(MolAtom &at2) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| SetBondOrder(const REAL length) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| SetFreeTorsion(const bool isInRing) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| SetLength0(const REAL length) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| SetLengthDelta(const REAL length) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| SetLengthSigma(const REAL length) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
| SetType(const RefParType *type) (defined in ObjCryst::Restraint) | ObjCryst::Restraint | virtual |
| XMLInput(istream &is, const XMLCrystTag &tag) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | virtual |
| XMLOutput(ostream &os, int indent=0) const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | virtual |
| ~MolBond() | ObjCryst::MolBond | virtual |
| ~Restraint() (defined in ObjCryst::Restraint) | ObjCryst::Restraint | virtual |
1.8.1