From 23d807748be58e5178c04304d9cc788bf122eb12 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Tue, 11 Feb 2014 15:34:18 +0000
Subject: [PATCH] Make changes in memory allocation. Memory reservation is done, but pointers are not linked into corresponding structure. A lot to be done still. However, check how pointers can be recalculated at any time when the block is copied in memory.
---
src/general.h | 76 +++++++++++++++++++++++++++++++++----
1 files changed, 67 insertions(+), 9 deletions(-)
diff --git a/src/general.h b/src/general.h
index 6d2ab06..afd238b 100644
--- a/src/general.h
+++ b/src/general.h
@@ -110,12 +110,29 @@
/* 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 +151,9 @@
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 +169,7 @@
ts_vertex *vtx2;
ts_double bond_length;
ts_double bond_length_dual;
+ ts_bool tainted;
};
typedef struct ts_bond ts_bond;
@@ -172,6 +187,8 @@
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;
@@ -199,6 +216,17 @@
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;
@@ -208,14 +236,44 @@
ts_double dmax;
ts_double stepsize;
ts_double cm[3];
+ ts_double volume;
+ ts_spharm *sphHarmonics;
} ts_vesicle;
+typedef struct {
+ ts_uint vertex_no;
+ ts_uint ncmax[3];
+ ts_vesicle *vesicle;
+ ts_vertex_list *vlist;
+ ts_bond_list *blist;
+ ts_triangle_list *tlist;
+ ts_cell_list *clist;
+ ts_vertex **vtx_ptr;
+ ts_vertex *vtx;
+ ts_vertex *vtx_neighbours;
+ ts_vertex **vtx_neighbours_ptr;
+ ts_bond **vtx_neighbond;
+ ts_triangle **tristar;
+ ts_triangle **tria_ptr;
+ ts_triangle *tria;
+ ts_triangle **trianeigh;
+ ts_bond **bond_ptr;
+ ts_bond *bond;
+ ts_cell **cell_ptr;
+ ts_cell *cell;
+ ts_vertex **cell_ocupancy;
+ /* ts_spharm *sphHarmonics; */
+} ts_memory;
/* GLOBAL VARIABLES */
int quiet;
+/* ERROR CODES */
+#define TS_ERR_MEM_ALLOC 1
+
+
/* FUNCTIONS */
/** Non-fatal error function handler:
--
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