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VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |

Public Member Functions | |
| appender (const model &a, const model &b) | |
| sz | operator() (sz x) const |
| atom_index | operator() (const atom_index &x) const |
| void | update (interacting_pair &ip) const |
| void | update (vec &v) const |
| void | update (ligand &lig) const |
| void | update (residue &r) const |
| void | update (parsed_line &p) const |
| void | update (atom &a) const |
| template<typename T > | |
| void | append (std::vector< T > &a, const std::vector< T > &b) |
| template<typename T > | |
| void | coords_append (std::vector< T > &a, const std::vector< T > &b) |
Public Attributes | |
| bool | is_a |
Private Member Functions | |
| sz | new_grid_index (sz x) const |
Private Attributes | |
| appender_info | a_info |
| appender_info | b_info |
References a_info, appender_info::grid_atoms_size, and is_a.
Referenced by operator()().

References a_info, appender_info::atoms_size, b_info, is_a, and appender_info::m_num_movable_atoms.
Referenced by operator()(), and update().

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References atom_index::i, atom_index::in_grid, new_grid_index(), and operator()().

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References interacting_pair::a, interacting_pair::b, and operator()().
Referenced by append(), coords_append(), and update().


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References ligand::cont, ligand::pairs, atom_range::transform(), transform_ranges(), update(), and VINA_FOR_IN.

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References atom::bonds, bond::connected_atom_index, operator()(), and VINA_FOR_IN.

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References is_a, update(), vector_append(), VINA_FOR, and VINA_RANGE.

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References a_info, b_info, is_a, appender_info::m_num_movable_atoms, update(), and VINA_FOR_IN.

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Referenced by coords_append(), new_grid_index(), and operator()().
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Referenced by coords_append(), and operator()().
| bool appender::is_a |
Referenced by append(), coords_append(), new_grid_index(), and operator()().