From bc4e1ee61725fdf7ec81a9583b7fa545f847e07b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 30 Nov 2013 17:12:09 +0000
Subject: [PATCH] It works
---
src/general.h | 55 +++++++++++++++++++++++++++++++++++++++++++++++++++----
1 files changed, 51 insertions(+), 4 deletions(-)
diff --git a/src/general.h b/src/general.h
index aff7680..03dcc1d 100644
--- a/src/general.h
+++ b/src/general.h
@@ -61,6 +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)
@@ -110,6 +115,24 @@
/* 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 holds the data for one single point (bead, vertex). To understand how to use it
@@ -119,8 +142,9 @@
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;
@@ -134,14 +158,19 @@
ts_double xk;
ts_double c;
ts_uint id;
+ 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;
+};
+typedef struct ts_vertex_list ts_vertex_list;
struct ts_bond {
ts_uint idx;
@@ -149,6 +178,7 @@
ts_vertex *vtx2;
ts_double bond_length;
ts_double bond_length_dual;
+ ts_bool tainted;
};
typedef struct ts_bond ts_bond;
@@ -166,6 +196,8 @@
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;
@@ -193,6 +225,17 @@
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;
@@ -202,9 +245,13 @@
ts_double dmax;
ts_double stepsize;
ts_double cm[3];
+ ts_double volume;
+ ts_spharm *sphHarmonics;
} ts_vesicle;
+
+
/* GLOBAL VARIABLES */
int quiet;
--
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