| | |
| | | */ |
| | | #define TS_DOUBLE_DOUBLE |
| | | |
| | | /** @brief Constant defines the size by which vertex_list expands at once, so expansion is not needed each time new data arrives. Also |
| | | * vlist will be decreased by same steps. |
| | | */ |
| | | #define TS_VLIST_CHUNK 7 |
| | | |
| | | /** For the purpose of greater flexibility all data types used in the program |
| | | * shouldn't use standard C types, but should use types defined here. |
| | | * ts_int (uses int) |
| | |
| | | |
| | | |
| | | |
| | | |
| | | /** @brief Data structure of all data connected to a vertex |
| | | * |
| | | * ts_vertex holds the data for one single point (bead, vertex). To understand how to use it |
| | |
| | | ts_double x; /**< The x coordinate of vertex. */ |
| | | ts_double y; /**< The y coordinate of vertex. */ |
| | | ts_double z; /**< The z coordinate of vertex. */ |
| | | ts_uint neigh_no; /**< The number of neighbours. */ |
| | | struct ts_vertex **neigh; /**< The pointer that holds neigh_no pointers to this structure. */ |
| | | // ts_uint neigh_no; /**< The number of neighbours. */ |
| | | // struct ts_vertex **neigh; /**< The pointer that holds neigh_no pointers to this structure. */ |
| | | struct ts_vertex_list *neigh; |
| | | ts_double *bond_length; /**< Obsolete! The bond lenght is moved to ts_bond */ |
| | | ts_double *bond_length_dual; /**< Obsolete! Bond length in dual lattice is moved to ts_bond! */ |
| | | ts_double curvature; |
| | |
| | | }; |
| | | typedef struct ts_vertex ts_vertex; |
| | | |
| | | typedef struct { |
| | | struct ts_vertex_list{ |
| | | ts_uint n; |
| | | ts_uint list_size; |
| | | ts_vertex **vtx; |
| | | |
| | | } ts_vertex_list; |
| | | }; |
| | | typedef struct ts_vertex_list ts_vertex_list; |
| | | |
| | | struct ts_bond { |
| | | ts_uint idx; |
| | |
| | | ts_vertex *vtx2; |
| | | ts_double bond_length; |
| | | ts_double bond_length_dual; |
| | | ts_bool tainted; |
| | | }; |
| | | typedef struct ts_bond ts_bond; |
| | | |