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dihedral_angle_reg_convex.c
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#include"utils.h"
#include"matrix_ops.h"
#include"globals.h"
void dihedral_angle_convex(int* tlist,double* vlist,int nfac,int nvert,double *res,int *angletype,int *EV,double *dresdx,double *dresdy,double *dresdz);
void dihedral_angle_reg(int *tlist,double *vlist,int nfac,int nvert,double *D,int dm,int dn,double *result,double *drsdv)
{
/*OUTPUT:
* result a double
* dresdx 1x3*nvert+3 array
*/
double mul=2;
double cos_max_angle=0;
double amul=1;
double p=1;
int *angletype;
if(INI_DIA_PARAMS)
{
mul=INI_DIA_PARAMS[2]; //Exponent, usually 2
cos_max_angle=cos(INI_DIA_PARAMS[1]*2*PI/360.0); //Maximum angle, after which additional multiplier amul
amul=INI_DIA_PARAMS[0];
}
*result=0;
int nedge=nfac+nvert-2;
double *res,*drdx,*drdy,*drdz;
int *EV;
res=calloc(nedge,sizeof(double));
drdx=calloc(nedge*nvert,sizeof(double));
drdy=calloc(nedge*nvert,sizeof(double));
drdz=calloc(nedge*nvert,sizeof(double));
angletype=calloc(nedge,sizeof(int));
//
if(res==NULL || drdx==NULL || drdy==NULL || drdz==NULL)
{
fprintf(stderr,"Calloc returned null\n");
exit(1);
}
double *drsdx,*drsdy,*drsdz;
double *dresdx,*dresdy,*dresdz;
EV=malloc(nvert*nvert*sizeof(int));
dihedral_angle_convex(tlist,vlist,nfac,nvert,res,angletype,EV,drdx,drdy,drdz);
if(D!=NULL && dm!=nvert)
{
puts("Error: Number of vertex coordinates is not equal to the number of rows in D.");
exit(1);
}
if(D==NULL)
dn=nvert;
drsdx=calloc(nedge*dn,sizeof(double));
drsdy=calloc(nedge*dn,sizeof(double));
drsdz=calloc(nedge*dn,sizeof(double));
if(D==NULL)
for(int j=0;j<nedge;j++)
{
if(res[j]<cos_max_angle)
p=amul;
else
p=1;
if(angletype[j]==0)
p=0;
(*result)+=p*pow(1-res[j],mul);
for(int k=0;k<nvert;k++)
{
drsdx[k]+=-p*mul*pow(1-res[j],mul-1)*drdx[j*nvert+k];
drsdy[k]+=-p*mul*pow(1-res[j],mul-1)*drdy[j*nvert+k];
drsdz[k]+=-p*mul*pow(1-res[j],mul-1)*drdz[j*nvert+k];
}
}
else
{
dresdx=calloc(nvert,sizeof(double));
dresdy=calloc(nvert,sizeof(double));
dresdz=calloc(nvert,sizeof(double));
for(int j=0;j<nedge;j++)
{
if(res[j]<cos_max_angle)
p=amul;
else
p=1;
(*result)+=p*pow(1-res[j],mul);
for(int k=0;k<nvert;k++)
{
dresdx[k]+=-p*mul*pow(1-res[j],mul-1)*drdx[j*nvert+k];
dresdy[k]+=-p*mul*pow(1-res[j],mul-1)*drdy[j*nvert+k];
dresdz[k]+=-p*mul*pow(1-res[j],mul-1)*drdz[j*nvert+k];
}
}
matrix_prod(dresdx,1,nvert,D,dn,drsdx);
matrix_prod(dresdy,1,nvert,D,dn,drsdy);
matrix_prod(dresdz,1,nvert,D,dn,drsdz);
free(dresdx);
free(dresdy);
free(dresdz);
}
set_submatrix(drsdv,1,3*dn+3,drsdx,1,dn,0,0);
set_submatrix(drsdv,1,3*dn+3,drsdy,1,dn,0,dn);
set_submatrix(drsdv,1,3*dn+3,drsdz,1,dn,0,2*dn);
free(drsdx);
free(drsdy);
free(drsdz);
free(res);
free(drdx);
free(drdy);
free(drdz);
free(EV);
}
/*
int main()
{
//int tlist[]={1,2,3,1,3,4};//2x3
//double vlist[]={-1,0,1,0,-1,0,0,1,0,0,10,10}; //4x3
// int tlist[]={1,2,3,
// 1,3,4,
// 1,4,5,
// 1,5,2,
// 6,3,2,
// 6,4,3,
// 6,5,4,
// 6,2,5}; //8x3
// double vlist[]={10,0,1,
// 1,0,0,
// 0,1,0,
// -1,0,0,
// 0,-1,0,
// 0,0,-1}; //6x3
int nfac=8,nfacn;
int nvert=6,nvertn;
int *tlist;
double *vlist;
double *vlistn;
int *tlistn;
double *D;
char shapefile[]="shape2.txt";
read_shape(shapefile,&tlist,&vlist,&nfac,&nvert,0);
double ini_dims[]={90,90,70};
mul_cols(vlist,nvert,3,ini_dims);
Sqrt3_Subdiv(tlist,vlist,nfac,nvert,&tlistn,&vlistn,&nfacn,&nvertn,&D);
int nedgen=nfacn+nvertn-2;
int nedge=nfac+nvert-2;
double res,*dresdv;
int *EV=calloc(nvertn*nvertn,sizeof(int));
double *res2=calloc(nedgen,sizeof(double));
double *dresdx=calloc(nedgen*nvertn,sizeof(double));
double *dresdy=calloc(nedgen*nvertn,sizeof(double));
double *dresdz=calloc(nedgen*nvertn,sizeof(double));
// D=calloc(nvert*nvert,sizeof(double));
// for(int j=0;j<6;j++)
// D[j+nvert*j]=1;
dresdv=calloc(3*nvertn+3,sizeof(double));
//dihedral_angle(tlistn,vlistn,nfacn, nvertn,res2,EV,dresdx,dresdy,dresdz);
dihedral_angle_reg(tlistn,vlistn,nfacn,nvertn,D,nvertn,nvert,&res,dresdv);
printf("res: %.10f\n",res);
//print_matrix(dresdv,1,3*nvert);
//print_matrixI(EV,nvert,nvert);
// write_matrix_file("/tmp/res.txt",res2,1,nedgen);
write_matrix_file("/tmp/dresdv.txt",dresdv,1,3*nvert);
// write_matrix_file("/tmp/dresdy.txt",dresdy,nedgen,nvertn);
// write_matrix_file("/tmp/dresdz.txt",dresdz,nedgen,nvertn);
free(dresdv);
free(D);
}
*/