int Confo_Back::Recon_Back_WS_One(XYZ *mol,char *cle,int moln,XYZ **output,XYZ pre,XYZ nxt)
{
if(moln!=1)return -1;
XYZ real;
double dist;
//pre
real=pre-mol[0];
dist=pre.distance(mol[0]);
real=real/dist;
real=real*3.8;
case_mol[0]=mol[0]+real;
//nxt
real=nxt-mol[0];
dist=nxt.distance(mol[0]);
real=real/dist;
real=real*3.8;
case_mol[2]=mol[0]+real;
//construct
case_mol[1]=mol[0];
case_cle[0]='Q';
if(cle[0]!='R')case_cle[1]=cle[0];
else case_cle[1]='Q';
case_cle[2]='Q';
//build
int retv;
retv=Recon_Back_WS(case_mol,case_cle,3,case_mcb);
if(retv!=1)return retv;
//final
int j;
for(j=0;j<5;j++)output[0][j]=case_mcb[1][j];
//return
return 1;
}
int Confo_Back::Recon_Back_WS_2nxt(XYZ *mol,char *cle,int moln,XYZ **output,XYZ nxt)
{
if(moln!=2)return -1;
XYZ real;
double dist;
real=nxt-mol[1];
dist=nxt.distance(mol[1]);
real=real/dist;
real=real*3.8;
real=mol[1]+real;
//construct
case_mol[0]=mol[0];
case_mol[1]=mol[1];
case_mol[2]=real;
if(cle[0]!='R')case_cle[0]=cle[0];
else case_cle[0]='Q';
if(cle[1]!='R')case_cle[1]=cle[1];
else case_cle[1]='Q';
case_cle[2]='Q';
//build
int retv;
retv=Recon_Back_WS(case_mol,case_cle,3,case_mcb);
if(retv!=1)return retv;
//final
int i,j;
for(i=0;i<2;i++)for(j=0;j<5;j++)output[i][j]=case_mcb[i][j];
//return
return 1;
}