ObjCryst::MolBond Member List

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