From 77a2c7de0dd6563a30467fa2e73f02ec9f4c3deb Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 08 Mar 2019 19:37:59 +0000
Subject: [PATCH] Added constant volume plugin (partially)
---
src/vertexmove.c | 102 ++++++++++++++++++++++-----------------------------
1 files changed, 44 insertions(+), 58 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index c512ccd..d33207f 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, delta_energy_cv,oenergy,dvol=0.0, darea=0.0, dstretchenergy=0.0;
+ ts_double delta_energy, oenergy,dvol=0.0, 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;
@@ -35,34 +35,30 @@
vtx->y=vtx->y+r*sintheta*sin(phi);
vtx->z=vtx->z+r*costheta;
-// plane confinement check whether the new position of vertex will be out of bounds
- if(vesicle->tape->plane_confinement_switch){
- if(vtx->z>vesicle->confinement_plane.z_max || vtx->z<vesicle->confinement_plane.z_min){
- vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
- return TS_FAIL;
- }
- }
/* Entry point for plugin vm_hard_constraint() function */
- ts_plugin_chain *ptr=vesicle->plist->chain->vm_hard_constraint;
- while(ptr!=NULL){
- retval = ptr->plugin->function->vm_hard_constraint(vesicle,vtx, &backupvtx[0]);
+ vesicle->plist->pointer=vesicle->plist->chain->vm_hard_constraint;
+ while(vesicle->plist->pointer!=NULL){
+ retval = vesicle->plist->pointer->plugin->function->vm_hard_constraint(vesicle,vtx, &backupvtx[0]);
if(retval==TS_FAIL){
vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
return TS_FAIL;
}
- ptr=ptr->next;
+ vesicle->plist->pointer=vesicle->plist->pointer->next;
}
+/* End of vm_hard_constraint() */
-
-
-//if all the tests are successful, then energy for vtx and neighbours is calculated
+/* Backuping the neighbours */
for(i=0;i<vtx->neigh_no;i++){
memcpy((void *)&backupvtx[i+1],(void *)vtx->neigh[i],sizeof(ts_vertex));
}
- if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){
- for(i=0;i<vtx->tristar_no;i++) dvol-=vtx->tristar[i]->volume;
+/* Entry point for plugin vm_energy_before_prepare() */
+
+ vesicle->plist->pointer=vesicle->plist->chain->vm_energy_before_prepare;
+ while(vesicle->plist->pointer!=NULL){
+ vesicle->plist->pointer->plugin->function->vm_energy_before_prepare(vesicle, vtx);
+ vesicle->plist->pointer=vesicle->plist->pointer->next;
}
if(vesicle->tape->constareaswitch==2){
@@ -91,10 +87,16 @@
delta_energy+=vtx->neigh[i]->xk*(vtx->neigh[i]->energy-oenergy);
}
- if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch >0){
- for(i=0;i<vtx->tristar_no;i++) dvol+=vtx->tristar[i]->volume;
- if(vesicle->pswitch==1) delta_energy-=vesicle->pressure*dvol;
- };
+
+/* Entry point for plugin vm_energy_after_execute() */
+
+ vesicle->plist->pointer=vesicle->plist->chain->vm_energy_after_execute;
+ while(vesicle->plist->pointer!=NULL){
+ delta_energy+=vesicle->plist->pointer->plugin->function->vm_energy_after_execute(vesicle, vtx);
+ vesicle->plist->pointer=vesicle->plist->pointer->next;
+ }
+
+
if(vesicle->tape->constareaswitch==2){
/* check whether the darea is gt epsarea */
@@ -113,42 +115,6 @@
}
- if(vesicle->tape->constvolswitch==2){
- /*check whether the dvol is gt than epsvol */
- //fprintf(stderr,"DVOL=%1.16e\n",dvol);
- if(fabs(vesicle->volume+dvol-V0)>epsvol){
- //restore old state.
- 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));
- }
- for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
- //fprintf(stderr,"fajlam!\n");
- return TS_FAIL;
- }
-
- } else
-// vesicle_volume(vesicle);
-// fprintf(stderr,"Volume before=%1.16e\n", vesicle->volume);
- if(vesicle->tape->constvolswitch == 1){
- retval=constvolume(vesicle, vtx, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
- if(retval==TS_FAIL){ // if we couldn't move the vertex to assure constant volume
- 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));
- }
- for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
- // fprintf(stderr,"fajlam!\n");
- return TS_FAIL;
- }
-// vesicle_volume(vesicle);
-// fprintf(stderr,"Volume after=%1.16e\n", vesicle->volume);
-// fprintf(stderr,"Volume after-dvol=%1.16e\n", vesicle->volume-dvol);
-// fprintf(stderr,"Denergy before=%e\n",delta_energy);
-
- delta_energy+=delta_energy_cv;
-// fprintf(stderr,"Denergy after=%e\n",delta_energy);
- }
/* Vertices with spontaneous curvature may have spontaneous force perpendicular to the surface of the vesicle. additional delta energy is calculated in this function */
delta_energy+=direct_force_energy(vesicle,vtx,backupvtx);
@@ -185,9 +151,29 @@
}
}
+
+/* Entry point for plugin vm_before_montecarlo_constraint() function */
+ vesicle->plist->pointer=vesicle->plist->chain->vm_before_montecarlo_constraint;
+ while(vesicle->plist->pointer!=NULL){
+ retval = vesicle->plist->pointer->plugin->function->vm_before_montecarlo_constraint(vesicle,vtx, &backupvtx[0]);
+ if(retval==TS_FAIL){
+ 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));
+ }
+ for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
+ return TS_FAIL;
+ }
+ vesicle->plist->pointer=vesicle->plist->pointer->next;
+ }
+/* End of vm_before_montecarlo_constraint() */
+
+
+
+
+
// fprintf(stderr, "DE=%f\n",delta_energy);
//MONTE CARLOOOOOOOO
-// if(vtx->c!=0.0) printf("DE=%f\n",delta_energy);
if(delta_energy>=0){
#ifdef TS_DOUBLE_DOUBLE
if(exp(-delta_energy)< drand48())
--
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