From fe5069cc3872b513f4715b0cfd303175ae80c468 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Wed, 30 Apr 2014 10:23:50 +0000
Subject: [PATCH] Debugged vertexmove. testing bondflip.
---
src/vertexmove.c | 19 +++++++++++++++----
1 files changed, 15 insertions(+), 4 deletions(-)
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 9f263c8..36cf993 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -97,9 +97,9 @@
};
delta_energy=0;
-
-
-// fprintf(stderr,"Success for now.\n");
+
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
//update the normals of triangles that share bead i.
for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
@@ -118,17 +118,26 @@
if(vesicle->pswitch==1) delta_energy-=vesicle->pressure*dvol;
};
+// 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);
+ 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);
}
/* No poly-bond energy for now!
if(vtx->grafted_poly!=NULL){
@@ -160,9 +169,11 @@
//update the normals of triangles that share bead i.
for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
+// 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);
return TS_FAIL;
}
}
--
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