From 3b39021cfdf157d35ce3475fb33b2c7a35bce676 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 27 Jun 2012 14:09:49 +0000
Subject: [PATCH] Debugged the spherical harmonics
---
src/general.h | 64 +++++++++++++++++++++-----------
1 files changed, 42 insertions(+), 22 deletions(-)
diff --git a/src/general.h b/src/general.h
index b90dcbc..87c6174 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;
@@ -149,18 +163,12 @@
} 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;
@@ -178,6 +186,8 @@
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;
@@ -187,14 +197,11 @@
};
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{
@@ -208,6 +215,15 @@
typedef struct {
+ ts_uint l;
+ ts_double **ulm;
+ ts_double **co;
+ ts_double ***Ylmi;
+} ts_spharm;
+
+
+
+typedef struct {
ts_vertex_list *vlist;
ts_bond_list *blist;
ts_triangle_list *tlist;
@@ -217,9 +233,13 @@
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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