From 2afc2f4f1dd89518995f1b5a539aea932aecab65 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 08 Mar 2019 19:50:18 +0000
Subject: [PATCH] Full write of constant volume plugin
---
src/plugins.c | 3 +++
src/general.h | 5 +++--
src/plugins/constant_volume.c | 16 ++++++----------
src/vertexmove.c | 33 +++++++++++++++++++++------------
4 files changed, 33 insertions(+), 24 deletions(-)
diff --git a/src/general.h b/src/general.h
index 4c09b71..702ba19 100644
--- a/src/general.h
+++ b/src/general.h
@@ -314,8 +314,8 @@
ts_double (*vm_energy_after_prepare)(void *vesicle, ts_vertex *vtx);
ts_double (*vm_energy_after_execute)(void *vesicle, ts_vertex *vtx);
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_double (*vm_new_state_rejected)(void *vesicle, ts_vertex *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;
@@ -346,6 +346,7 @@
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 *cleanup;
} ts_plugin_chains;
diff --git a/src/plugins.c b/src/plugins.c
index 0af3d4f..a6b843b 100644
--- a/src/plugins.c
+++ b/src/plugins.c
@@ -171,6 +171,9 @@
if(plist->plugin[i]->function->vm_before_montecarlo_constraint!=NULL){
plist->chain->vm_before_montecarlo_constraint=plugin_to_chain(plist->chain->vm_before_montecarlo_constraint, plist->plugin[i]);
}
+ 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]);
+ }
}
plist->n=number_of_plugins;
return plist;
diff --git a/src/plugins/constant_volume.c b/src/plugins/constant_volume.c
index f86eaee..11d17dd 100644
--- a/src/plugins/constant_volume.c
+++ b/src/plugins/constant_volume.c
@@ -57,16 +57,12 @@
if(fabs(vesicle->volume+data->dvol-data->V0)>data->epsvol) return TS_FAIL;
}
return TS_SUCCESS;
-// if(vesicle->tape->constvolswitch==2){
-// /*check whether the dvol is gt than epsvol */
-// if(fabs(vesicle->volume+data->dvol-data->V0)>data->epsvol) return TS_FAIL;
-//This part doesn't work as expected yet. Delta_energy_cv shoould be accounted for in the total energy change.
+}
-/* }else 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
- return TS_FAIL;
- } */
- return TS_SUCCESS;
+void vm_new_state_accepted(ts_vesicle *vesicle, ts_vertex *vtx, ts_vertex *old_vtx){
+ if(vesicle->tape->constvolswitch >0){
+ plugin_data *data=(plugin_data *)vesicle->plist->pointer->plugin->details->data;
+ vesicle->volume+=data->dvol;
+ }
}
diff --git a/src/vertexmove.c b/src/vertexmove.c
index d33207f..37508e9 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -23,7 +23,7 @@
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;
+ ts_vertex backupvtx[20]; // *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL;
memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex));
//random move in a sphere with radius stepsize:
@@ -202,9 +202,9 @@
}
// 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);
- }
+// 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);
@@ -224,18 +224,27 @@
if(vesicle->tape->constvolswitch == 2){
vesicle->volume+=dvol;
- } else
- if(vesicle->tape->constvolswitch == 1){
- constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
- }
+ }
+
+
if(vesicle->tape->constareaswitch==2){
vesicle->area+=darea;
}
-// if(oldcellidx);
- //END MONTE CARLOOOOOOO
-// vesicle_volume(vesicle);
-// fprintf(stderr,"Volume after success=%1.16e\n", vesicle->volume);
+
+
+/* Entry point for plugin vm_before_montecarlo_constraint() function */
+ vesicle->plist->pointer=vesicle->plist->chain->vm_new_state_accepted;
+ while(vesicle->plist->pointer!=NULL){
+ vesicle->plist->pointer->plugin->function->vm_new_state_accepted(vesicle,vtx, &backupvtx[0]);
+ vesicle->plist->pointer=vesicle->plist->pointer->next;
+ }
+/* End of vm_before_montecarlo_constraint() */
+
+
+
+
+
return TS_SUCCESS;
}
--
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