cuikxdot.c

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#include "world.h"
#include "dynamics.h"
#include "error.h"
 
#include <math.h>
 
int main(int argc, char **arg)
{
  
  if (argc>2)
    {
      TAtlasBase w;
      Tworld *world;
      Tparameters parameters;
 
      TDynamicSpace ds; 
      double *u;
      double *point,*spoint;
      double *acc;
      unsigned int sz,ns,j,n,k,ndof,nBoxes;
      Tlist boxList;
      Tbox *box;
      Titerator i;
      TJacobian sJ;
 
      FILE *fout;
  
      Tfilename facc;
      Tfilename fsols;
      Tfilename fparam;
 
      CreateFileName(NULL,arg[1],NULL,PARAM_EXT,&fparam);
      fprintf(stderr,"Reading parameter file            : %s\n",GetFileFullName(&fparam));
      InitParametersFromFile(GetFileFullName(&fparam),&parameters);
 
      if (GetParameter(CT_DYNAMICS,&parameters)<0.5)
        Error("cuikxdot requires the dynamics");
 
      ndof=GetParameter(CT_N_DOF,&parameters);
      if (ndof%2)
        Error("The degrees of freedom must be even");
      ndof/=2;
      if (argc-2<(int)ndof)
        Error("Not enough input parameters to define an action");
      NEW(u,ndof,double);
      for(j=0;j<ndof;j++)
        u[j]=atof(arg[j+2]);
 
      InitCSWDFromFile(&parameters,arg[1],&w);
      world=GET_WORLD(&w);
 
      CS_WD_GET_SIMP_JACOBIAN(&parameters,&sJ,&w);
      InitDynamicSpace(&parameters,FALSE,&sJ,&w,&ds);
      
      CreateFileName(NULL,arg[2],NULL,SOL_EXT,&fsols);
      fprintf(stderr,"Reading solution file             : %s\n",GetFileFullName(&fsols));
      ReadListOfBoxes(GetFileFullName(&fsols),&boxList);
      nBoxes=ListSize(&boxList);
      if (nBoxes==0)
        Error("Empty solution file");
      
      CreateFileName(NULL,arg[2],"_dot",SOL_EXT,&facc);
      fprintf(stderr,"Writing acceleration file         : %s\n",GetFileFullName(&facc));
 
      fout=fopen(GetFileFullName(&facc),"w");
      if (!fout)
        Error("Output file for accelerations can not be opened");
      
      /* Compute the energy for each conformation */
      InitIterator(&i,&boxList);
      First(&i);
      k=0;
      while(!EndOfList(&i))
        {
          box=(Tbox *)GetCurrent(&i);
          if (k==0)
            {
              n=GetBoxNIntervals(box);
              NEW(point,n,double);
              NEW(acc,n,double); /* The size of acc is always less than n (less due to possible simplifications) */
            }
          GetBoxCenter(NULL,point,box);
 
          ns=WorldGenerateSimplifiedPointFromSystem(&parameters,point,&spoint,world);
          
          sz=Getxdot(&parameters,spoint,u,acc,&ds);
 
          if (ns!=sz)
            Error("xdot size missmatch");
          
          PrintVector(fout,"",sz,acc);
 
          free(spoint);
          
          k++;
          Advance(&i);
        }
        
      fclose(fout);
 
      DeleteFileName(&fsols);
      DeleteFileName(&facc);
      DeleteFileName(&fparam);
 
      free(acc);
      free(u);
      free(point);
      DeleteListOfBoxes(&boxList);
      DeleteParameters(&parameters);
 
      DeleteFileName(&facc);  
      DeleteFileName(&fsols);      
      DeleteFileName(&fparam);
 
      DeleteDynamicSpace(&ds);
      DeleteJacobian(&sJ);
      CS_WD_DELETE(&w);
      DeleteParameters(&parameters);
    }
  else
    {
      fprintf(stdout,"  Wrong number of parameters.\n");
      fprintf(stdout,"  Use:\n");
      fprintf(stdout,"     cuikxdot <world>.world <solutions>.sol <action>\n");
      fprintf(stdout,"  Where:\n");
      fprintf(stdout,"     <world>:  File describing the problem\n");
      fprintf(stdout,"     <solutions>:  Solutions for which to extract the acceleratinos.\n");
      fprintf(stdout,"     action: Action for which to compute the acceleration\n");
      fprintf(stdout,"  File extensions are not required\n");
    }
    
  return(EXIT_SUCCESS);
}