cctbx::crystal::coordination_sequences Namespace Reference

Coordination sequence algorithms. More...


Classes

struct  node
 Grouping of symmetry operations characterizing a node in a graph of bonded sites. More...
struct  three_shells
 Buffer for nodes in three shells. More...
struct  core_asu
 Generic coordination sequence algorithm. More...
struct  core_sym
 Generic coordination sequence algorithm. More...
struct  term_table_actions_asu
 Actions for simple counting. More...
struct  term_table_actions_sym
 Actions for simple counting. More...
struct  shell_asu_tables_actions
 Actions for the generation of higher-level (nonbonded) interactions. More...
struct  shell_sym_tables_actions
 Actions for the generation of higher-level (nonbonded) interactions. More...

Functions

af::shared< std::vector
< unsigned > > 
simple (crystal::pair_asu_table<> const &pair_asu_table, unsigned max_shell)
 Friendly interface to core_asu<term_table_actions_asu>.
af::shared< std::vector
< unsigned > > 
simple_sym (crystal::pair_sym_table const &full_pair_sym_table, sgtbx::site_symmetry_table const &site_symmetry_table, unsigned max_shell)
 Friendly interface to core_asu<term_table_actions_asu>.
std::vector< pair_asu_table<> > shell_asu_tables (crystal::pair_asu_table<> const &pair_asu_table, unsigned max_shell)
 Friendly interface to core_asu<shell_asu_tables_actions>.
std::vector< pair_sym_tableshell_sym_tables (crystal::pair_sym_table const &full_pair_sym_table, sgtbx::site_symmetry_table const &site_symmetry_table, unsigned max_shell)
 Friendly interface to core_sym<shell_sym_tables_actions>.


Detailed Description

Coordination sequence algorithms.

Generated on Thu Jun 19 15:34:56 2014 for cctbx by  doxygen 1.5.6