From aab4ad46109f8361d0235a07ba1edbf188ad442f Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Tue, 11 Mar 2014 10:52:57 +0000
Subject: [PATCH] Fixed counting of iterations when invoked with --reset-iteration-count
---
src/general.h | 95 ++++++++++++++++++++++++++++++++++++-----------
1 files changed, 73 insertions(+), 22 deletions(-)
diff --git a/src/general.h b/src/general.h
index 69cfd8b..3308faa 100644
--- a/src/general.h
+++ b/src/general.h
@@ -3,15 +3,15 @@
#include<stdarg.h>
#include<stdio.h>
-
/* @brief This is a header file, defining general constants and structures.
* @file header.h
* @author Samo Penic
* @date 5.3.2001
- *
+ *
* Header file for general inclusion in all the code, defining data structures
* and general constans. All datatypes used in the code is also defined here.
*
+ * Miha: branch trisurf-polyel
*/
/* Defines */
@@ -110,12 +110,27 @@
/* 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 +149,10 @@
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;
+ struct ts_poly *grafted_poly;
};
typedef struct ts_vertex ts_vertex;
@@ -150,11 +163,13 @@
} ts_vertex_list;
struct ts_bond {
- ts_uint idx;
+ ts_uint idx;
ts_vertex *vtx1;
ts_vertex *vtx2;
ts_double bond_length;
ts_double bond_length_dual;
+ ts_bool tainted;
+ ts_double energy;
};
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;
@@ -181,14 +198,11 @@
};
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{
@@ -202,18 +216,55 @@
typedef struct {
+ ts_uint l;
+ ts_double **ulm;
+ ts_double **sumUlm2;
+ ts_uint N;
+ ts_double **co;
+ ts_double ***Ylmi;
+} ts_spharm;
+
+
+
+struct ts_poly {
+ ts_vertex_list *vlist;
+ ts_bond_list *blist;
+ ts_vertex *grafted_vtx;
+ ts_double k;
+};
+typedef struct ts_poly ts_poly;
+
+
+struct ts_poly_list {
+ ts_uint n;
+ ts_poly **poly;
+};
+typedef struct ts_poly_list ts_poly_list;
+
+
+
+
+typedef struct {
ts_vertex_list *vlist;
ts_bond_list *blist;
ts_triangle_list *tlist;
- ts_cell_list *clist;
+ ts_cell_list *clist;
ts_uint nshell;
- ts_double bending_rigidity;
- ts_double dmax;
- ts_double stepsize;
- ts_double cm[3];
+ ts_double bending_rigidity;
+ ts_double dmax;
+ ts_double stepsize;
+ ts_double cm[3];
+ ts_double volume;
+ ts_spharm *sphHarmonics;
+
+ ts_poly_list *poly_list;
+ ts_double spring_constant;
+ ts_double pressure;
+ ts_int pswitch;
} ts_vesicle;
+
/* GLOBAL VARIABLES */
int quiet;
--
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