#include <small.hpp>
Definition at line 22 of file small.hpp.
◆ get_all_unit_cell_sites()
◆ find_spacegroup()
◆ get_atom_type()
◆ present_elements()
std::bitset<(size_t) El::END > gemmi::SmallStructure::present_elements |
( |
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const |
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inline |
◆ remove_hydrogens()
void gemmi::SmallStructure::remove_hydrogens |
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inline |
◆ change_occupancies_to_crystallographic()
void gemmi::SmallStructure::change_occupancies_to_crystallographic |
( |
double |
max_dist = 0.4 | ) |
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inline |
◆ setup_cell_images()
void gemmi::SmallStructure::setup_cell_images |
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inline |
◆ name
std::string gemmi::SmallStructure::name |
◆ cell
◆ spacegroup_hm
std::string gemmi::SmallStructure::spacegroup_hm |
◆ sites
std::vector<Site> gemmi::SmallStructure::sites |
◆ atom_types
std::vector<AtomType> gemmi::SmallStructure::atom_types |
◆ wavelength
double gemmi::SmallStructure::wavelength = 0. |
The documentation for this struct was generated from the following file:
- /home/wojdyr/gemmi/gemmi/include/gemmi/small.hpp