From d335d9af322ef4b32d22c0b25b6ff540a2febebf Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 07 Dec 2013 21:29:57 +0000
Subject: [PATCH] Changes in ts_bond data structure, bond.c added assign_triangles functions that is called in initial_distribution for each bond.
---
src/general.h | 104 ++++++++++++++++++++++++++++++++-------------------
1 files changed, 65 insertions(+), 39 deletions(-)
diff --git a/src/general.h b/src/general.h
index ca778bf..6497c14 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
@@ -60,6 +61,11 @@
*/
#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)
@@ -109,17 +115,36 @@
/* 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. */
- 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;
@@ -133,33 +158,28 @@
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;
-typedef struct {
+struct ts_vertex_list{
ts_uint n;
+ ts_uint list_size;
ts_vertex **vtx;
-} ts_vertex_list;
-
-
-/** ts_bond_data is a structure that describes a bond */
-typedef struct {
- ts_vertex *vtx1;
- ts_vertex *vtx2;
- ts_double bond_length;
- ts_double bond_length_dual;
-} ts_bond_data;
+};
+typedef struct ts_vertex_list ts_vertex_list;
struct ts_bond {
ts_uint idx;
- ts_bond_data *data;
+ ts_vertex *vtx1;
+ ts_vertex *vtx2;
+ struct ts_triangle *tria[2];
+ ts_double bond_length;
+ ts_double bond_length_dual;
+ ts_bool tainted;
};
typedef struct ts_bond ts_bond;
@@ -169,22 +189,16 @@
};
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;
+ ts_double area; // firstly needed for sh.c
+ ts_double volume; // firstly needed for sh.c
};
typedef struct ts_triangle ts_triangle;
@@ -194,14 +208,11 @@
};
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{
@@ -215,6 +226,17 @@
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;
@@ -224,7 +246,11 @@
ts_double dmax;
ts_double stepsize;
ts_double cm[3];
+ ts_double volume;
+ ts_spharm *sphHarmonics;
} ts_vesicle;
+
+
/* GLOBAL VARIABLES */
@@ -247,7 +273,7 @@
*/
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
--
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