From 2c4278db6ead5c27e30a3000097ed898c968534e Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 09 Mar 2019 19:45:22 +0000
Subject: [PATCH] Added direct force plugin and fixes in stretching energy
---
src/general.h | 43 ++++++++++++++++++++++++++++++++++++-------
1 files changed, 36 insertions(+), 7 deletions(-)
diff --git a/src/general.h b/src/general.h
index 50d5a84..ab0c257 100644
--- a/src/general.h
+++ b/src/general.h
@@ -195,11 +195,13 @@
ts_double znorm;
ts_double area; // firstly needed for sh.c
ts_double volume; // firstly needed for sh.c
+ ts_double energy;
};
typedef struct ts_triangle ts_triangle;
struct ts_triangle_list{
ts_uint n;
+ ts_double a0;
ts_triangle **tria;
};
typedef struct ts_triangle_list ts_triangle_list;
@@ -273,6 +275,8 @@
long int pswitch;
long int constvolswitch;
long int constareaswitch;
+ long int stretchswitch;
+ ts_double xkA0;
ts_double constvolprecision;
char *multiprocessing;
long int brezveze0;
@@ -302,13 +306,16 @@
/* plugins */
typedef struct {
- void (*at_start)(void);
- void (*after_vesicle_init)(void *vesicle);
+ void (*at_start)(int argc, char **argv);
+ void *(*after_vesicle_init)(void *vesicle);
ts_bool (*vm_hard_constraint)(void *vesicle, ts_vertex *vtx, ts_vertex *odl_vtx);
- ts_double (*vm_energy_before)(void *vesicle, ts_vertex *vtx);
- ts_double (*vm_energy_after)(void *vesicle, ts_vertex *vtx);
- ts_double (*vm_new_state_accepted)(void *vesicle, ts_vertex *vtx);
- ts_double (*vm_new_state_rejected)(void *vesicle, ts_vertex *vtx);
+ void (*vm_energy_before_prepare)(void *vesicle, ts_vertex *vtx);
+ ts_double (*vm_energy_before_execute)(void *vesicle, ts_vertex *vtx);
+ ts_double (*vm_energy_after_prepare)(void *vesicle, ts_vertex *vtx);
+ ts_double (*vm_energy_after_execute)(void *vesicle, ts_vertex *vtx, ts_vertex *backup_vertices);
+ ts_double (*vm_before_montecarlo_constraint)(void *vesicle, ts_vertex *vtx, ts_vertex *old_vtx);
+ ts_double (*vm_new_state_accepted)(void *vesicle, ts_vertex *vtx, ts_vertex *old_vtx);
+ ts_double (*vm_new_state_rejected)(void *vesicle, ts_vertex *vtx, ts_vertex *old_vtx);
void (*cleanup)(void);
} ts_plugin_function;
@@ -316,6 +323,7 @@
ts_char *name;
ts_char *description;
ts_char *author;
+ void *data;
} ts_plugin_details;
typedef struct {
@@ -325,9 +333,30 @@
void *libhandle;
} ts_plugin;
+struct ts_plugin_chain {
+ ts_plugin *plugin;
+ struct ts_plugin_chain *next;
+};
+typedef struct ts_plugin_chain ts_plugin_chain;
+
+typedef struct {
+ ts_plugin_chain *at_start;
+ ts_plugin_chain *after_vesicle_init;
+ ts_plugin_chain *vm_hard_constraint;
+ ts_plugin_chain *vm_energy_before_prepare;
+ ts_plugin_chain *vm_energy_after_execute;
+ ts_plugin_chain *vm_before_montecarlo_constraint;
+ ts_plugin_chain *vm_new_state_accepted;
+ ts_plugin_chain *vm_new_state_rejected;
+ ts_plugin_chain *cleanup;
+} ts_plugin_chains;
+
+
typedef struct {
ts_uint n;
ts_plugin **plugin;
+ ts_plugin_chains *chain;
+ ts_plugin_chain *pointer;
} ts_plugin_list;
/* end plugins */
@@ -361,7 +390,7 @@
ts_double nucleus_center[3];
ts_double area;
ts_confinement_plane confinement_plane;
- ts_plugin_list plist;
+ ts_plugin_list *plist;
} ts_vesicle;
--
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