votca::xtp::Atom Member List

This is the complete list of members for votca::xtp::Atom, including all inherited members.

AddBondedPartner(Index partner_id)	votca::xtp::Atom	inline
Atom(Index resnr, std::string md_atom_name, Index atom_id, Eigen::Vector3d pos, std::string element)	votca::xtp::Atom
Atom(Index atom_id, std::string element, Eigen::Vector3d pos)	votca::xtp::Atom
Atom(data &d)	votca::xtp::Atom	inline
bonded_partner_ids_	votca::xtp::Atom	private
element_	votca::xtp::Atom	private
external_bond_direction_	votca::xtp::Atom	private
external_bond_partner_atom_id_	votca::xtp::Atom	private
external_bond_partner_segment_id_	votca::xtp::Atom	private
getBondedPartnerIds() const	votca::xtp::Atom	inline
getElement() const	votca::xtp::Atom	inline
GetElementFromString(const std::string &MDName)	votca::xtp::Atom	static
getExternalBondDirection() const	votca::xtp::Atom	inline
getExternalBondPartnerAtomId() const	votca::xtp::Atom	inline
getExternalBondPartnerSegmentId() const	votca::xtp::Atom	inline
getId() const	votca::xtp::Atom	inline
getName() const	votca::xtp::Atom	inline
getPos() const	votca::xtp::Atom	inline
getResnr() const	votca::xtp::Atom	inline
has_external_bond_	votca::xtp::Atom	private
hasExternalBond() const	votca::xtp::Atom	inline
id_	votca::xtp::Atom	private
identify() const	votca::xtp::Atom	inline
kMaxBondedPartners	votca::xtp::Atom	static
name_	votca::xtp::Atom	private
operator<<(std::ostream &out, const Atom &atom)	votca::xtp::Atom	friend
pos_	votca::xtp::Atom	private
ReadData(const data &d)	votca::xtp::Atom
resnr_	votca::xtp::Atom	private
Rotate(const Eigen::Matrix3d &R, const Eigen::Vector3d &refPos)	votca::xtp::Atom
setExternalBondDirection(const Eigen::Vector3d &dir, Index partner_atom_id)	votca::xtp::Atom	inline
setExternalBondPartnerSegmentId(Index segment_id)	votca::xtp::Atom	inline
setPos(const Eigen::Vector3d &r)	votca::xtp::Atom	inline
setResnr(Index resnr)	votca::xtp::Atom	inline
SetupCptTable(CptTable &table)	votca::xtp::Atom	static
Translate(const Eigen::Vector3d &shift)	votca::xtp::Atom	inline
WriteData(data &d) const	votca::xtp::Atom