From 7522b886602380764ce76f1d2244fad11bd1054f Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 08 Mar 2019 19:56:03 +0000
Subject: [PATCH] Full write of constant volume plugin
---
src/plugins.c | 3 +++
src/general.h | 1 +
src/vertexmove.c | 48 +++++++++++++++++++++---------------------------
3 files changed, 25 insertions(+), 27 deletions(-)
diff --git a/src/general.h b/src/general.h
index 702ba19..90cf29c 100644
--- a/src/general.h
+++ b/src/general.h
@@ -347,6 +347,7 @@
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;
diff --git a/src/plugins.c b/src/plugins.c
index a6b843b..3146c2a 100644
--- a/src/plugins.c
+++ b/src/plugins.c
@@ -174,6 +174,9 @@
if(plist->plugin[i]->function->vm_new_state_accepted!=NULL){
plist->chain->vm_new_state_accepted=plugin_to_chain(plist->chain->vm_new_state_accepted, plist->plugin[i]);
}
+ if(plist->plugin[i]->function->vm_new_state_rejected!=NULL){
+ plist->chain->vm_new_state_rejected=plugin_to_chain(plist->chain->vm_new_state_rejected, plist->plugin[i]);
+ }
}
plist->n=number_of_plugins;
return plist;
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 37508e9..dc6c53f 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -20,7 +20,7 @@
ts_uint i;
ts_bool retval;
ts_uint cellidx;
- ts_double delta_energy, oenergy,dvol=0.0, darea=0.0, dstretchenergy=0.0;
+ ts_double delta_energy, oenergy, darea=0.0, dstretchenergy=0.0;
ts_double costheta,sintheta,phi,r;
//This will hold all the information of vtx and its neighbours
ts_vertex backupvtx[20]; // *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL;
@@ -185,15 +185,15 @@
if(expl(-delta_energy)< (ts_ldouble)drand48())
#endif
{
- //not accepted, reverting changes
- // fprintf(stderr,"MC failed\n");
+/*************************************************** MC step rejected **************************************************************/
vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
for(i=0;i<vtx->neigh_no;i++){
vtx->neigh[i]=memcpy((void *)vtx->neigh[i],(void *)&backupvtx[i+1],sizeof(ts_vertex));
}
- //update the normals of triangles that share bead i.
- for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
+ //update the normals of triangles that share bead i.
+ for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
+
//stretching energy 3 of 3
if(vesicle->tape->stretchswitch==1){
for(i=0;i<vtx->tristar_no;i++){
@@ -201,31 +201,26 @@
}
}
-// fprintf(stderr, "before vtx(x,y,z)=%e,%e,%e\n",constvol_vtx_moved->x, constvol_vtx_moved->y, constvol_vtx_moved->z);
-// if(vesicle->tape->constvolswitch == 1){
-// constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
-// }
-// fprintf(stderr, "after vtx(x,y,z)=%e,%e,%e\n",constvol_vtx_moved->x, constvol_vtx_moved->y, constvol_vtx_moved->z);
-// vesicle_volume(vesicle);
-// fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
+
+
+/* Entry point for plugin vm_before_montecarlo_constraint() function */
+ vesicle->plist->pointer=vesicle->plist->chain->vm_new_state_rejected;
+ while(vesicle->plist->pointer!=NULL){
+ vesicle->plist->pointer->plugin->function->vm_new_state_rejected(vesicle,vtx, &backupvtx[0]);
+ vesicle->plist->pointer=vesicle->plist->pointer->next;
+ }
+/* End of vm_before_montecarlo_constraint() */
+
+
return TS_FAIL;
}
}
- //accepted
- // fprintf(stderr,"MC accepted\n");
-// oldcellidx=vertex_self_avoidance(vesicle, &backupvtx[0]);
+/*************************************************** MC step accepted **************************************************************/
cellidx=vertex_self_avoidance(vesicle, vtx);
if(vtx->cell!=vesicle->clist->cell[cellidx]){
retval=cell_add_vertex(vesicle->clist->cell[cellidx],vtx);
-// if(retval==TS_SUCCESS) cell_remove_vertex(vesicle->clist->cell[oldcellidx],vtx);
- if(retval==TS_SUCCESS) cell_remove_vertex(backupvtx[0].cell,vtx);
-
+ if(retval==TS_SUCCESS) cell_remove_vertex(backupvtx[0].cell,vtx);
}
-
- if(vesicle->tape->constvolswitch == 2){
- vesicle->volume+=dvol;
- }
-
if(vesicle->tape->constareaswitch==2){
@@ -241,14 +236,13 @@
}
/* End of vm_before_montecarlo_constraint() */
-
-
-
-
return TS_SUCCESS;
}
+
+
+
ts_bool single_poly_vertex_move(ts_vesicle *vesicle,ts_poly *poly,ts_vertex *vtx,ts_double *rn){
ts_uint i;
ts_bool retval;
--
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