BondOrder() (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
GetAtom1() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
GetAtom2() const (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
GetBondOrder() const (defined in ObjCryst::MolBond) | 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] |
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] |
mIsFreeTorsion (defined in ObjCryst::MolBond) | ObjCryst::MolBond | [private] |
mLength0 (defined in ObjCryst::MolBond) | ObjCryst::MolBond | [private] |
MolBond(const MolAtom &atom1, const 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(const MolAtom &at1) (defined in ObjCryst::MolBond) | ObjCryst::MolBond | |
SetAtom2(const 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] |