Todo List

Class Atom

Make this class abstract, so that decorated atoms cannot be used in mixed-type assignments.

Member BTK::ATOMS::Atom::print (std::ostream &os, int atom_number=1, int group_number=1, char chain_id= ' ', std::string const &group_name="", bool is_hetatom=false, char alt_loc= ' ', char i_code= ' ', double occupancy=1.0, double b_factor=1.0, std::string const &seg_id="", std::string const &element_name="", std::string const &charge="") const

Simplify the stream output system. PDB-formatted output should be relegated to specialized PDB classes, so that simple classes (like Atom) don't have to have complicated methods (like Atom::print()) that are only complex due to PDB output requirements.

Member BTK::ATOMS::Atom::operator= (self_type const &src)

The Atom class should be made abstract, and the assignment operator protected.

Member BTK::MOLECULES::AtomicStructure::print (std::ostream &os, size_type first_atom_num=1, size_type group_num=1, char chain_id= ' ') const

Simplify the stream output system. See Atom for details.

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