From b866cf902b92a94fb438e40a24dae0a89fa2afec Mon Sep 17 00:00:00 2001
From: mihaf <miha.fosnaric@gmail.com>
Date: Fri, 07 Mar 2014 14:01:07 +0000
Subject: [PATCH] Changed bondflip. lm, lp found before and only once
---
src/general.h | 76 ++++++++++++++++++++++++++++++++++---
1 files changed, 69 insertions(+), 7 deletions(-)
diff --git a/src/general.h b/src/general.h
index aff7680..2999090 100644
--- a/src/general.h
+++ b/src/general.h
@@ -8,10 +8,11 @@
* @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 */
@@ -110,6 +111,21 @@
/* 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
@@ -134,6 +150,10 @@
ts_double xk;
ts_double c;
ts_uint id;
+ ts_double projArea;
+ ts_double relR;
+ ts_double solAngle;
+ struct ts_poly *grafted_poly;
};
typedef struct ts_vertex ts_vertex;
@@ -144,11 +164,13 @@
} 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;
@@ -166,6 +188,8 @@
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;
@@ -193,18 +217,56 @@
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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