aromatic_CH_or_amide_NH Class Template Reference
Model of aromatic C-H or amide N-H. More...
#include <geometric_hydrogen.h>
Inheritance diagram for aromatic_CH_or_amide_NH:
Public Types | |
|
typedef geometrical_hydrogens < aromatic_CH_or_amide_NH < FloatType, XrayScattererType, SharedArray1D >, FloatType, XrayScattererType, af::tiny, 1, SharedArray1D > | base_t |
| typedef XrayScattererType | xray_scatterer_type |
| typedef FloatType | float_type |
|
typedef parameter_map < xray_scatterer_type > | parameter_map_type |
| typedef cartesian< float_type > | cart_t |
| typedef fractional< float_type > | frac_t |
Public Member Functions | |
| aromatic_CH_or_amide_NH (std::size_t pivot, af::tiny< std::size_t, 2 > pivot_neighbours, std::size_t hydrogen, float_type bond_length, bool stretching=false) | |
| void | place_constrained_scatterers (uctbx::unit_cell const &unit_cell, sgtbx::site_symmetry_table const &site_symmetry_table, af::ref< xray_scatterer_type > const &scatterers) |
Detailed Description
template<typename FloatType, class XrayScattererType, template< class > class SharedArray1D = af::shared>
class smtbx::refinement::constraints::aromatic_CH_or_amide_NH< FloatType, XrayScattererType, SharedArray1D >
Model of aromatic C-H or amide N-H.
The other 2 neighbours of C or N being X and Y, X-C-Y (resp. X-N-Y) is bisected by C-H (resp. N-H).
The documentation for this class was generated from the following file:
- smtbx/refinement/constraints/geometric_hydrogen.h
