From 83b03a38e0ab88224d3f8ce9ddfbbdd82038455c Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Thu, 23 Feb 2012 21:55:40 +0000 Subject: [PATCH] Seems to work. Lookout for debug code in main.c and initial_distribution.c --- src/general.h | 60 ++++++++++++++++++++++++------------------------------------ 1 files changed, 24 insertions(+), 36 deletions(-) diff --git a/src/general.h b/src/general.h index 1d1371e..aff7680 100644 --- a/src/general.h +++ b/src/general.h @@ -2,6 +2,7 @@ #define _GENERAL_H #include<stdarg.h> +#include<stdio.h> /* @brief This is a header file, defining general constants and structures. * @file header.h @@ -111,10 +112,10 @@ /** @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 +135,6 @@ ts_double c; ts_uint id; }; -typedef struct ts_vertex_data ts_vertex_data; - -struct ts_vertex { - ts_uint idx; - ts_vertex_data *data; -}; typedef struct ts_vertex ts_vertex; typedef struct { @@ -148,18 +143,12 @@ } ts_vertex_list; - -/** ts_bond_data is a structure that describes a bond */ -typedef struct { +struct ts_bond { + ts_uint idx; ts_vertex *vtx1; ts_vertex *vtx2; ts_double bond_length; ts_double bond_length_dual; -} ts_bond_data; - -struct ts_bond { - ts_uint idx; - ts_bond_data *data; }; typedef struct ts_bond ts_bond; @@ -169,22 +158,14 @@ }; typedef struct ts_bond_list ts_bond_list; -/** ts_triangle_data is a structure that describes a triangle */ -struct ts_triangle_data { - ts_uint idx; +struct ts_triangle { + ts_uint idx; ts_vertex *vertex[3]; ts_uint neigh_no; struct ts_triangle **neigh; ts_double xnorm; ts_double ynorm; ts_double znorm; - -}; -typedef struct ts_triangle_data ts_triangle_data; - -struct ts_triangle { - ts_uint idx; - ts_triangle_data *data; }; typedef struct ts_triangle ts_triangle; @@ -192,24 +173,31 @@ ts_uint n; ts_triangle **tria; }; +typedef struct ts_triangle_list ts_triangle_list; typedef struct ts_cell { ts_uint idx; ts_vertex **vertex; ts_uint nvertex; -} ts_cell; +} ts_cell; -typedef struct { - ts_vertex *vlist; - ts_bond *blist; - ts_triangle *tlist; - ts_cell *clist; - ts_uint nshell; +typedef struct ts_cell_list{ + ts_uint ncmax[3]; + ts_uint cellno; + ts_cell **cell; ts_double dcell; ts_double shift; ts_double max_occupancy; - ts_uint ncmax[3]; +} ts_cell_list; + + +typedef struct { + ts_vertex_list *vlist; + ts_bond_list *blist; + ts_triangle_list *tlist; + ts_cell_list *clist; + ts_uint nshell; ts_double bending_rigidity; ts_double dmax; ts_double stepsize; @@ -237,7 +225,7 @@ */ void fatal(char *text, ts_int errcode); -//ts_uint ts_fprintf(FILE *fd, char *fmt, va_list ap); +ts_uint ts_fprintf(FILE *fd, char *fmt, ...); #define VTX(n) &(vlist->vtx[n]) #define VTX_DATA(n) vlist->vtx[n].data -- Gitblit v1.9.3