From 311301bef2f4762781817a7553b56d827d2d8d7e Mon Sep 17 00:00:00 2001 From: Miha <mihaf@hapi.(none)> Date: Fri, 29 Nov 2013 08:44:43 +0000 Subject: [PATCH] First test of new branch. Nothing done yet. --- src/general.h | 60 +++++++++++++++++++++++++++++++++++++++++++++--------------- 1 files changed, 45 insertions(+), 15 deletions(-) diff --git a/src/general.h b/src/general.h index 69cfd8b..063e124 100644 --- a/src/general.h +++ b/src/general.h @@ -8,10 +8,11 @@ * @file header.h * @author Samo Penic * @date 5.3.2001 - * + * * Header file for general inclusion in all the code, defining data structures * and general constans. All datatypes used in the code is also defined here. * + * Miha: branch trisurf-polyel */ /* Defines */ @@ -110,12 +111,29 @@ /* STRUCTURES */ + +/** @brief Data structure for keeping the coordinates in selected coordinate + * system + */ +#define TS_COORD_CARTESIAN 0 +#define TS_COORD_SPHERICAL 1 +#define TS_COORD_CYLINDRICAL 2 + +typedef struct { + ts_double e1; + ts_double e2; + ts_double e3; + ts_uint coord_type; +} ts_coord; + + + /** @brief Data structure of all data connected to a vertex * - * ts_vertex_data holds the data for one single point (bead, vertex). To understand how to use it + * ts_vertex holds the data for one single point (bead, vertex). To understand how to use it * here is a detailed description of the fields in the data structure. */ -struct ts_vertex_data { - ts_uint idx; /**< Represents index of the vertex point. Should become obsolete, since it is also present in ts_vertex structure. */ +struct ts_vertex { + ts_uint idx; ts_double x; /**< The x coordinate of vertex. */ ts_double y; /**< The y coordinate of vertex. */ ts_double z; /**< The z coordinate of vertex. */ @@ -134,12 +152,9 @@ ts_double xk; ts_double c; ts_uint id; -}; -typedef struct ts_vertex_data ts_vertex_data; - -struct ts_vertex { - ts_uint idx; - ts_vertex_data *data; + ts_double projArea; + ts_double relR; + ts_double solAngle; }; typedef struct ts_vertex ts_vertex; @@ -155,6 +170,7 @@ ts_vertex *vtx2; ts_double bond_length; ts_double bond_length_dual; + ts_bool tainted; }; typedef struct ts_bond ts_bond; @@ -172,6 +188,8 @@ ts_double xnorm; ts_double ynorm; ts_double znorm; + ts_double area; // firstly needed for sh.c + ts_double volume; // firstly needed for sh.c }; typedef struct ts_triangle ts_triangle; @@ -181,14 +199,11 @@ }; typedef struct ts_triangle_list ts_triangle_list; -typedef struct ts_cell_data { - ts_vertex **vertex; - ts_uint nvertex; -} ts_cell_data; typedef struct ts_cell { ts_uint idx; - ts_cell_data *data; + ts_vertex **vertex; + ts_uint nvertex; } ts_cell; typedef struct ts_cell_list{ @@ -202,6 +217,17 @@ typedef struct { + ts_uint l; + ts_double **ulm; + ts_double **sumUlm2; + ts_uint N; + ts_double **co; + ts_double ***Ylmi; +} ts_spharm; + + + +typedef struct { ts_vertex_list *vlist; ts_bond_list *blist; ts_triangle_list *tlist; @@ -211,9 +237,13 @@ ts_double dmax; ts_double stepsize; ts_double cm[3]; + ts_double volume; + ts_spharm *sphHarmonics; } ts_vesicle; + + /* GLOBAL VARIABLES */ int quiet; -- Gitblit v1.9.3