parsing_struct Struct Reference

Classes
struct	node_t

Public Types
typedef node_t< parsing_struct >	node

Public Member Functions
void	add (const parsed_atom &a, const context &c)
const vec &	immobile_atom_coords () const
void	insert_immobile_inflex (non_rigid_parsed &nr)
void	insert_immobile (non_rigid_parsed &nr, context &c, const vec &frame_origin)
bool	essentially_empty () const

Public Attributes
boost::optional< sz >	immobile_atom
boost::optional< atom_reference >	axis_begin
boost::optional< atom_reference >	axis_end
std::vector< node >	atoms

Member Typedef Documentation

typedef node_t<parsing_struct> parsing_struct::node

Member Function Documentation

void parsing_struct::add ( const parsed_atom &  a, const context &  c  )

inline

References atoms, and VINA_CHECK.

Referenced by parse_pdbqt_branch(), and parse_pdbqt_root_aux().

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const vec& parsing_struct::immobile_atom_coords ( ) const

inline

References atoms, immobile_atom, and VINA_CHECK.

Referenced by postprocess_branch(), and postprocess_residue().

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void parsing_struct::insert_immobile_inflex ( non_rigid_parsed &  nr )

inline

References atoms, axis_end, immobile_atom, non_rigid_parsed::inflex, and VINA_CHECK.

void parsing_struct::insert_immobile ( non_rigid_parsed &  nr, context &  c, const vec &  frame_origin  )

inline

References non_rigid_parsed::atoms, atoms, axis_end, immobile_atom, and VINA_CHECK.

bool parsing_struct::essentially_empty ( ) const

inline

References atoms, immobile_atom, parsing_struct::node_t< T >::ps, and VINA_FOR_IN.

Referenced by postprocess_branch(), and postprocess_residue().

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Member Data Documentation

boost::optional<sz> parsing_struct::immobile_atom

Referenced by essentially_empty(), immobile_atom_coords(), insert_immobile(), insert_immobile_inflex(), parse_pdbqt_branch(), and postprocess_branch().

boost::optional<atom_reference> parsing_struct::axis_begin

Referenced by postprocess_branch().

boost::optional<atom_reference> parsing_struct::axis_end

Referenced by insert_immobile(), insert_immobile_inflex(), and postprocess_branch().

std::vector<node> parsing_struct::atoms

Referenced by add(), essentially_empty(), immobile_atom_coords(), insert_immobile(), insert_immobile_inflex(), parse_pdbqt_branch(), parse_pdbqt_branch_aux(), parse_pdbqt_ligand(), postprocess_branch(), postprocess_ligand(), and postprocess_residue().

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The documentation for this struct was generated from the following file:

• parse_pdbqt.cpp