From 7d84ef2a0c3f672007317882a2d93487009d668b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 03 Jul 2020 17:19:48 +0000
Subject: [PATCH] Some friday hacking
---
src/bond.h | 1
src/bond.c | 13 ++++
src/energy.c | 154 ++++++++++++++++++---------------------------------
src/general.h | 4 +
4 files changed, 72 insertions(+), 100 deletions(-)
diff --git a/src/bond.c b/src/bond.c
index 21b7b56..c30c488 100644
--- a/src/bond.c
+++ b/src/bond.c
@@ -47,6 +47,19 @@
}
+ts_bool bond_get_edge_vector(ts_double *vector, ts_bond *bond, ts_vertex *vtx){
+ if(vtx==bond->vtx2){
+ vector[0]=bond->x;
+ vector[1]=bond->y;
+ vector[2]=bond->z;
+ } else {
+ vector[0]=-bond->x;
+ vector[1]=-bond->y;
+ vector[2]=-bond->z;
+ }
+ return TS_SUCCESS;
+}
+
ts_bool bond_list_free(ts_bond_list *blist){
ts_uint i;
for(i=0;i<blist->n;i++){
diff --git a/src/bond.h b/src/bond.h
index d231342..29e7f9c 100644
--- a/src/bond.h
+++ b/src/bond.h
@@ -22,6 +22,7 @@
ts_bond *bond_add(ts_bond_list *blist, ts_vertex *vtx1, ts_vertex *vtx2);
ts_bool bond_vector(ts_bond *bond);
+ts_bool bond_get_edge_vector(ts_double *vector, ts_bond *bond, ts_vertex *vtx);
ts_bool bond_list_free(ts_bond_list *blist);
diff --git a/src/energy.c b/src/energy.c
index 1dae415..5fe0d5b 100644
--- a/src/energy.c
+++ b/src/energy.c
@@ -3,6 +3,7 @@
#include "general.h"
#include "energy.h"
#include "vertex.h"
+#include "bond.h"
#include<math.h>
#include<stdio.h>
@@ -87,110 +88,63 @@
* @returns TS_SUCCESS on successful calculation.
*/
inline ts_bool energy_vertex(ts_vertex *vtx){
- ts_uint jj;
- ts_uint jjp,jjm;
- ts_vertex *j,*jp, *jm;
- ts_triangle *jt;
- ts_double s=0.0,xh=0.0,yh=0.0,zh=0.0,txn=0.0,tyn=0.0,tzn=0.0;
- ts_double x1,x2,x3,ctp,ctm,tot,xlen;
- ts_double h,ht;
- for(jj=1; jj<=vtx->neigh_no;jj++){
- jjp=jj+1;
- if(jjp>vtx->neigh_no) jjp=1;
- jjm=jj-1;
- if(jjm<1) jjm=vtx->neigh_no;
- j=vtx->neigh[jj-1];
- jp=vtx->neigh[jjp-1];
- jm=vtx->neigh[jjm-1];
- jt=vtx->tristar[jj-1];
- x1=vtx_distance_sq(vtx,jp); //shouldn't be zero!
- x2=vtx_distance_sq(j,jp); // shouldn't be zero!
- x3=(j->x-jp->x)*(vtx->x-jp->x)+
- (j->y-jp->y)*(vtx->y-jp->y)+
- (j->z-jp->z)*(vtx->z-jp->z);
-
-#ifdef TS_DOUBLE_DOUBLE
- ctp=x3/sqrt(x1*x2-x3*x3);
-#endif
-#ifdef TS_DOUBLE_FLOAT
- ctp=x3/sqrtf(x1*x2-x3*x3);
-#endif
-#ifdef TS_DOUBLE_LONGDOUBLE
- ctp=x3/sqrtl(x1*x2-x3*x3);
-#endif
- x1=vtx_distance_sq(vtx,jm);
- x2=vtx_distance_sq(j,jm);
- x3=(j->x-jm->x)*(vtx->x-jm->x)+
- (j->y-jm->y)*(vtx->y-jm->y)+
- (j->z-jm->z)*(vtx->z-jm->z);
-#ifdef TS_DOUBLE_DOUBLE
- ctm=x3/sqrt(x1*x2-x3*x3);
-#endif
-#ifdef TS_DOUBLE_FLOAT
- ctm=x3/sqrtf(x1*x2-x3*x3);
-#endif
-#ifdef TS_DOUBLE_LONGDOUBLE
- ctm=x3/sqrtl(x1*x2-x3*x3);
-#endif
- tot=ctp+ctm;
- tot=0.5*tot;
+ ts_uint jj, i, j, cnt=0;
+ ts_double edge_vector_x[7]={0,0,0,0,0,0,0};
+ ts_double edge_vector_y[7]={0,0,0,0,0,0,0};
+ ts_double edge_vector_z[7]={0,0,0,0,0,0,0};
+ ts_double edge_normal_x[7]={0,0,0,0,0,0,0};
+ ts_double edge_normal_y[7]={0,0,0,0,0,0,0};
+ ts_double edge_normal_z[7]={0,0,0,0,0,0,0};
+ ts_double edge_binormal_x[7]={0,0,0,0,0,0,0};
+ ts_double edge_binormal_y[7]={0,0,0,0,0,0,0};
+ ts_double edge_binormal_z[7]={0,0,0,0,0,0,0};
+ ts_double vertex_normal_x=0.0;
+ ts_double vertex_normal_y=0.0;
+ ts_double vertex_normal_z=0.0;
+ ts_triangle *triedge[2]={NULL,NULL};
- xlen=vtx_distance_sq(j,vtx);
-/*
-#ifdef TS_DOUBLE_DOUBLE
- vtx->bond[jj-1]->bond_length=sqrt(xlen);
-#endif
-#ifdef TS_DOUBLE_FLOAT
- vtx->bond[jj-1]->bond_length=sqrtf(xlen);
-#endif
-#ifdef TS_DOUBLE_LONGDOUBLE
- vtx->bond[jj-1]->bond_length=sqrtl(xlen);
-#endif
+ ts_double sumnorm;
- vtx->bond[jj-1]->bond_length_dual=tot*vtx->bond[jj-1]->bond_length;
-*/
- s+=tot*xlen;
- xh+=tot*(j->x - vtx->x);
- yh+=tot*(j->y - vtx->y);
- zh+=tot*(j->z - vtx->z);
- txn+=jt->xnorm;
- tyn+=jt->ynorm;
- tzn+=jt->znorm;
- }
-
- h=xh*xh+yh*yh+zh*zh;
- ht=txn*xh+tyn*yh + tzn*zh;
- s=s/4.0;
-#ifdef TS_DOUBLE_DOUBLE
- if(ht>=0.0) {
- vtx->curvature=sqrt(h);
- } else {
- vtx->curvature=-sqrt(h);
- }
-#endif
-#ifdef TS_DOUBLE_FLOAT
- if(ht>=0.0) {
- vtx->curvature=sqrtf(h);
- } else {
- vtx->curvature=-sqrtf(h);
- }
-#endif
-#ifdef TS_DOUBLE_LONGDOUBLE
- if(ht>=0.0) {
- vtx->curvature=sqrtl(h);
- } else {
- vtx->curvature=-sqrtl(h);
- }
-#endif
-// c is forced curvature energy for each vertex. Should be set to zero for
-// normal circumstances.
-/* the following statement is an expression for $\frac{1}{2}\int(c_1+c_2-c_0^\prime)^2\mathrm{d}A$, where $c_0^\prime=2c_0$ (twice the spontaneous curvature) */
- vtx->energy=0.5*s*(vtx->curvature/s-vtx->c)*(vtx->curvature/s-vtx->c);
+ // Here edge vector is calculated
+// fprintf(stderr, "Vertex has neighbours=%d\n", vtx->neigh_no);
+ for(jj=0;jj<vtx->neigh_no;jj++){
+ edge_vector_x[jj]=vtx->neigh[jj]->x-vtx->x;
+ edge_vector_y[jj]=vtx->neigh[jj]->y-vtx->y;
+ edge_vector_z[jj]=vtx->neigh[jj]->z-vtx->z;
+ // We find lm and lp from k->tristar !
+ cnt=0;
+ for(i=0;i<vtx->tristar_no;i++){
+ for(j=0;j<vtx->neigh[jj]->tristar_no;j++){
+ if((vtx->tristar[i] == vtx->neigh[jj]->tristar[j])){ //ce gre za skupen trikotnik
+ triedge[cnt]=vtx->tristar[i];
+ cnt++;
+ }
+ }
+ }
+ if(cnt!=2) fatal("ts_energy_vertex: both triangles not found!", 133);
+ sumnorm=sqrt( pow((triedge[0]->xnorm + triedge[1]->xnorm),2) + pow((triedge[0]->ynorm + triedge[1]->ynorm), 2) + pow((triedge[0]->znorm + triedge[1]->znorm), 2));
- return TS_SUCCESS;
+ edge_normal_x[jj]=(triedge[0]->xnorm+ triedge[1]->xnorm)/sumnorm;
+ edge_normal_y[jj]=(triedge[0]->ynorm+ triedge[1]->ynorm)/sumnorm;
+ edge_normal_z[jj]=(triedge[0]->znorm+ triedge[1]->znorm)/sumnorm;
+
+
+ edge_binormal_x[jj]=(edge_normal_y[jj]*edge_vector_z[jj])-(edge_normal_z[jj]*edge_vector_y[jj]);
+ edge_binormal_y[jj]=-(edge_normal_x[jj]*edge_vector_z[jj])+(edge_normal_z[jj]*edge_vector_x[jj]);
+ edge_binormal_z[jj]=(edge_normal_x[jj]*edge_vector_y[jj])-(edge_normal_y[jj]*edge_vector_x[jj]);
+
+ printf("(%f %f %f); (%f %f %f); (%f %f %f), %d\n", edge_vector_x[jj], edge_vector_y[jj], edge_vector_z[jj], edge_normal_x[jj], edge_normal_y[jj], edge_normal_z[jj], edge_binormal_x[jj], edge_binormal_y[jj], edge_binormal_z[jj],triedge[0]->idx);
+
+ }
+ for(i=0; i<vtx->tristar_no; i++){
+ vertex_normal_x=vertex_normal_x + vtx->tristar[i]->xnorm*vtx->tristar[i]->area;
+ vertex_normal_y=vertex_normal_y + vtx->tristar[i]->ynorm*vtx->tristar[i]->area;
+ vertex_normal_z=vertex_normal_z + vtx->tristar[i]->znorm*vtx->tristar[i]->area;
+ }
+ printf("(%f %f %f)\n", vertex_normal_x, vertex_normal_y, vertex_normal_z);
+ vtx->energy=0.0;
+ return TS_SUCCESS;
}
-
-
ts_bool sweep_attraction_bond_energy(ts_vesicle *vesicle){
int i;
diff --git a/src/general.h b/src/general.h
index 2dd63d8..4388e2c 100644
--- a/src/general.h
+++ b/src/general.h
@@ -158,6 +158,10 @@
ts_double solAngle;
struct ts_poly *grafted_poly;
struct ts_cluster *cluster;
+ ts_double edge_x[14];
+ ts_double edge_y[14];
+ ts_double edge_z[14];
+
};
typedef struct ts_vertex ts_vertex;
--
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