mirror of
https://github.com/arcan1s/moldyn.git
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614 lines
17 KiB
C
614 lines
17 KiB
C
#if defined(__STDC__) || defined(ANSI) || defined(NRANSI) /* ANSI */
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#include <stdio.h>
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#include <stddef.h>
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#include <stdlib.h>
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#define NR_END 1
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#define FREE_ARG char*
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void nrerror(char error_text[])
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/* Numerical Recipes standard error handler */
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{
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fprintf(stderr,"Numerical Recipes run-time error...\n");
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fprintf(stderr,"%s\n",error_text);
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fprintf(stderr,"...now exiting to system...\n");
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exit(1);
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}
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float *vector(long nl, long nh)
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/* allocate a float vector with subscript range v[nl..nh] */
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{
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float *v;
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v=(float *)malloc((size_t) ((nh-nl+1+NR_END)*sizeof(float)));
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if (!v) nrerror("allocation failure in vector()");
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return v-nl+NR_END;
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}
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int *ivector(long nl, long nh)
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/* allocate an int vector with subscript range v[nl..nh] */
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{
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int *v;
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v=(int *)malloc((size_t) ((nh-nl+1+NR_END)*sizeof(int)));
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if (!v) nrerror("allocation failure in ivector()");
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return v-nl+NR_END;
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}
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unsigned char *cvector(long nl, long nh)
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/* allocate an unsigned char vector with subscript range v[nl..nh] */
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{
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unsigned char *v;
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v=(unsigned char *)malloc((size_t) ((nh-nl+1+NR_END)*sizeof(unsigned char)));
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if (!v) nrerror("allocation failure in cvector()");
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return v-nl+NR_END;
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}
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unsigned long *lvector(long nl, long nh)
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/* allocate an unsigned long vector with subscript range v[nl..nh] */
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{
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unsigned long *v;
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v=(unsigned long *)malloc((size_t) ((nh-nl+1+NR_END)*sizeof(long)));
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if (!v) nrerror("allocation failure in lvector()");
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return v-nl+NR_END;
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}
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double *dvector(long nl, long nh)
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/* allocate a double vector with subscript range v[nl..nh] */
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{
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double *v;
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v=(double *)malloc((size_t) ((nh-nl+1+NR_END)*sizeof(double)));
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if (!v) nrerror("allocation failure in dvector()");
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return v-nl+NR_END;
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}
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float **matrix(long nrl, long nrh, long ncl, long nch)
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/* allocate a float matrix with subscript range m[nrl..nrh][ncl..nch] */
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{
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long i, nrow=nrh-nrl+1,ncol=nch-ncl+1;
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float **m;
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/* allocate pointers to rows */
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m=(float **) malloc((size_t)((nrow+NR_END)*sizeof(float*)));
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if (!m) nrerror("allocation failure 1 in matrix()");
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m += NR_END;
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m -= nrl;
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/* allocate rows and set pointers to them */
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m[nrl]=(float *) malloc((size_t)((nrow*ncol+NR_END)*sizeof(float)));
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if (!m[nrl]) nrerror("allocation failure 2 in matrix()");
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m[nrl] += NR_END;
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m[nrl] -= ncl;
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for(i=nrl+1;i<=nrh;i++) m[i]=m[i-1]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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double **dmatrix(long nrl, long nrh, long ncl, long nch)
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/* allocate a double matrix with subscript range m[nrl..nrh][ncl..nch] */
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{
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long i, nrow=nrh-nrl+1,ncol=nch-ncl+1;
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double **m;
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/* allocate pointers to rows */
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m=(double **) malloc((size_t)((nrow+NR_END)*sizeof(double*)));
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if (!m) nrerror("allocation failure 1 in matrix()");
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m += NR_END;
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m -= nrl;
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/* allocate rows and set pointers to them */
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m[nrl]=(double *) malloc((size_t)((nrow*ncol+NR_END)*sizeof(double)));
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if (!m[nrl]) nrerror("allocation failure 2 in matrix()");
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m[nrl] += NR_END;
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m[nrl] -= ncl;
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for(i=nrl+1;i<=nrh;i++) m[i]=m[i-1]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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int **imatrix(long nrl, long nrh, long ncl, long nch)
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/* allocate a int matrix with subscript range m[nrl..nrh][ncl..nch] */
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{
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long i, nrow=nrh-nrl+1,ncol=nch-ncl+1;
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int **m;
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/* allocate pointers to rows */
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m=(int **) malloc((size_t)((nrow+NR_END)*sizeof(int*)));
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if (!m) nrerror("allocation failure 1 in matrix()");
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m += NR_END;
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m -= nrl;
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/* allocate rows and set pointers to them */
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m[nrl]=(int *) malloc((size_t)((nrow*ncol+NR_END)*sizeof(int)));
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if (!m[nrl]) nrerror("allocation failure 2 in matrix()");
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m[nrl] += NR_END;
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m[nrl] -= ncl;
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for(i=nrl+1;i<=nrh;i++) m[i]=m[i-1]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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float **submatrix(float **a, long oldrl, long oldrh, long oldcl, long oldch,
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long newrl, long newcl)
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/* point a submatrix [newrl..][newcl..] to a[oldrl..oldrh][oldcl..oldch] */
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{
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long i,j,nrow=oldrh-oldrl+1,ncol=oldcl-newcl;
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float **m;
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/* allocate array of pointers to rows */
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m=(float **) malloc((size_t) ((nrow+NR_END)*sizeof(float*)));
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if (!m) nrerror("allocation failure in submatrix()");
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m += NR_END;
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m -= newrl;
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/* set pointers to rows */
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for(i=oldrl,j=newrl;i<=oldrh;i++,j++) m[j]=a[i]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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float **convert_matrix(float *a, long nrl, long nrh, long ncl, long nch)
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/* allocate a float matrix m[nrl..nrh][ncl..nch] that points to the matrix
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declared in the standard C manner as a[nrow][ncol], where nrow=nrh-nrl+1
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and ncol=nch-ncl+1. The routine should be called with the address
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&a[0][0] as the first argument. */
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{
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long i,j,nrow=nrh-nrl+1,ncol=nch-ncl+1;
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float **m;
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/* allocate pointers to rows */
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m=(float **) malloc((size_t) ((nrow+NR_END)*sizeof(float*)));
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if (!m) nrerror("allocation failure in convert_matrix()");
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m += NR_END;
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m -= nrl;
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/* set pointers to rows */
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m[nrl]=a-ncl;
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for(i=1,j=nrl+1;i<nrow;i++,j++) m[j]=m[j-1]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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float ***f3tensor(long nrl, long nrh, long ncl, long nch, long ndl, long ndh)
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/* allocate a float 3tensor with range t[nrl..nrh][ncl..nch][ndl..ndh] */
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{
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long i,j,nrow=nrh-nrl+1,ncol=nch-ncl+1,ndep=ndh-ndl+1;
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float ***t;
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/* allocate pointers to pointers to rows */
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t=(float ***) malloc((size_t)((nrow+NR_END)*sizeof(float**)));
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if (!t) nrerror("allocation failure 1 in f3tensor()");
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t += NR_END;
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t -= nrl;
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/* allocate pointers to rows and set pointers to them */
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t[nrl]=(float **) malloc((size_t)((nrow*ncol+NR_END)*sizeof(float*)));
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if (!t[nrl]) nrerror("allocation failure 2 in f3tensor()");
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t[nrl] += NR_END;
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t[nrl] -= ncl;
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/* allocate rows and set pointers to them */
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t[nrl][ncl]=(float *) malloc((size_t)((nrow*ncol*ndep+NR_END)*sizeof(float)));
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if (!t[nrl][ncl]) nrerror("allocation failure 3 in f3tensor()");
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t[nrl][ncl] += NR_END;
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t[nrl][ncl] -= ndl;
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for(j=ncl+1;j<=nch;j++) t[nrl][j]=t[nrl][j-1]+ndep;
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for(i=nrl+1;i<=nrh;i++) {
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t[i]=t[i-1]+ncol;
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t[i][ncl]=t[i-1][ncl]+ncol*ndep;
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for(j=ncl+1;j<=nch;j++) t[i][j]=t[i][j-1]+ndep;
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}
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/* return pointer to array of pointers to rows */
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return t;
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}
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void free_vector(float *v, long nl, long nh)
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/* free a float vector allocated with vector() */
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{
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free((FREE_ARG) (v+nl-NR_END));
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}
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void free_ivector(int *v, long nl, long nh)
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/* free an int vector allocated with ivector() */
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{
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free((FREE_ARG) (v+nl-NR_END));
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}
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void free_cvector(unsigned char *v, long nl, long nh)
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/* free an unsigned char vector allocated with cvector() */
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{
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free((FREE_ARG) (v+nl-NR_END));
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}
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void free_lvector(unsigned long *v, long nl, long nh)
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/* free an unsigned long vector allocated with lvector() */
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{
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free((FREE_ARG) (v+nl-NR_END));
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}
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void free_dvector(double *v, long nl, long nh)
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/* free a double vector allocated with dvector() */
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{
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free((FREE_ARG) (v+nl-NR_END));
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}
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void free_matrix(float **m, long nrl, long nrh, long ncl, long nch)
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/* free a float matrix allocated by matrix() */
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{
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free((FREE_ARG) (m[nrl]+ncl-NR_END));
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free((FREE_ARG) (m+nrl-NR_END));
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}
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void free_dmatrix(double **m, long nrl, long nrh, long ncl, long nch)
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/* free a double matrix allocated by dmatrix() */
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{
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free((FREE_ARG) (m[nrl]+ncl-NR_END));
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free((FREE_ARG) (m+nrl-NR_END));
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}
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void free_imatrix(int **m, long nrl, long nrh, long ncl, long nch)
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/* free an int matrix allocated by imatrix() */
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{
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free((FREE_ARG) (m[nrl]+ncl-NR_END));
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free((FREE_ARG) (m+nrl-NR_END));
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}
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void free_submatrix(float **b, long nrl, long nrh, long ncl, long nch)
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/* free a submatrix allocated by submatrix() */
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{
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free((FREE_ARG) (b+nrl-NR_END));
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}
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void free_convert_matrix(float **b, long nrl, long nrh, long ncl, long nch)
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/* free a matrix allocated by convert_matrix() */
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{
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free((FREE_ARG) (b+nrl-NR_END));
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}
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void free_f3tensor(float ***t, long nrl, long nrh, long ncl, long nch,
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long ndl, long ndh)
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/* free a float f3tensor allocated by f3tensor() */
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{
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free((FREE_ARG) (t[nrl][ncl]+ndl-NR_END));
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free((FREE_ARG) (t[nrl]+ncl-NR_END));
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free((FREE_ARG) (t+nrl-NR_END));
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}
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#else /* ANSI */
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/* traditional - K&R */
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#include <stdio.h>
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#define NR_END 1
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#define FREE_ARG char*
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void nrerror(error_text)
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char error_text[];
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/* Numerical Recipes standard error handler */
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{
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void exit();
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fprintf(stderr,"Numerical Recipes run-time error...\n");
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fprintf(stderr,"%s\n",error_text);
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fprintf(stderr,"...now exiting to system...\n");
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exit(1);
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}
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float *vector(nl,nh)
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long nh,nl;
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/* allocate a float vector with subscript range v[nl..nh] */
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{
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float *v;
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v=(float *)malloc((unsigned int) ((nh-nl+1+NR_END)*sizeof(float)));
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if (!v) nrerror("allocation failure in vector()");
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return v-nl+NR_END;
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}
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int *ivector(nl,nh)
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long nh,nl;
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/* allocate an int vector with subscript range v[nl..nh] */
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{
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int *v;
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v=(int *)malloc((unsigned int) ((nh-nl+1+NR_END)*sizeof(int)));
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if (!v) nrerror("allocation failure in ivector()");
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return v-nl+NR_END;
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}
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unsigned char *cvector(nl,nh)
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long nh,nl;
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/* allocate an unsigned char vector with subscript range v[nl..nh] */
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{
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unsigned char *v;
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v=(unsigned char *)malloc((unsigned int) ((nh-nl+1+NR_END)*sizeof(unsigned char)));
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if (!v) nrerror("allocation failure in cvector()");
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return v-nl+NR_END;
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}
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unsigned long *lvector(nl,nh)
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long nh,nl;
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/* allocate an unsigned long vector with subscript range v[nl..nh] */
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{
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unsigned long *v;
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v=(unsigned long *)malloc((unsigned int) ((nh-nl+1+NR_END)*sizeof(long)));
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if (!v) nrerror("allocation failure in lvector()");
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return v-nl+NR_END;
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}
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double *dvector(nl,nh)
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long nh,nl;
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/* allocate a double vector with subscript range v[nl..nh] */
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{
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double *v;
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v=(double *)malloc((unsigned int) ((nh-nl+1+NR_END)*sizeof(double)));
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if (!v) nrerror("allocation failure in dvector()");
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return v-nl+NR_END;
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}
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float **matrix(nrl,nrh,ncl,nch)
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long nch,ncl,nrh,nrl;
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/* allocate a float matrix with subscript range m[nrl..nrh][ncl..nch] */
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{
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long i, nrow=nrh-nrl+1,ncol=nch-ncl+1;
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float **m;
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/* allocate pointers to rows */
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m=(float **) malloc((unsigned int)((nrow+NR_END)*sizeof(float*)));
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if (!m) nrerror("allocation failure 1 in matrix()");
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m += NR_END;
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m -= nrl;
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/* allocate rows and set pointers to them */
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m[nrl]=(float *) malloc((unsigned int)((nrow*ncol+NR_END)*sizeof(float)));
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if (!m[nrl]) nrerror("allocation failure 2 in matrix()");
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m[nrl] += NR_END;
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m[nrl] -= ncl;
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for(i=nrl+1;i<=nrh;i++) m[i]=m[i-1]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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double **dmatrix(nrl,nrh,ncl,nch)
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long nch,ncl,nrh,nrl;
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/* allocate a double matrix with subscript range m[nrl..nrh][ncl..nch] */
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{
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long i, nrow=nrh-nrl+1,ncol=nch-ncl+1;
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double **m;
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/* allocate pointers to rows */
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m=(double **) malloc((unsigned int)((nrow+NR_END)*sizeof(double*)));
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if (!m) nrerror("allocation failure 1 in matrix()");
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m += NR_END;
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m -= nrl;
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/* allocate rows and set pointers to them */
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m[nrl]=(double *) malloc((unsigned int)((nrow*ncol+NR_END)*sizeof(double)));
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if (!m[nrl]) nrerror("allocation failure 2 in matrix()");
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m[nrl] += NR_END;
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m[nrl] -= ncl;
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for(i=nrl+1;i<=nrh;i++) m[i]=m[i-1]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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int **imatrix(nrl,nrh,ncl,nch)
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long nch,ncl,nrh,nrl;
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/* allocate a int matrix with subscript range m[nrl..nrh][ncl..nch] */
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{
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long i, nrow=nrh-nrl+1,ncol=nch-ncl+1;
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int **m;
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/* allocate pointers to rows */
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m=(int **) malloc((unsigned int)((nrow+NR_END)*sizeof(int*)));
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if (!m) nrerror("allocation failure 1 in matrix()");
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m += NR_END;
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m -= nrl;
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/* allocate rows and set pointers to them */
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m[nrl]=(int *) malloc((unsigned int)((nrow*ncol+NR_END)*sizeof(int)));
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if (!m[nrl]) nrerror("allocation failure 2 in matrix()");
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m[nrl] += NR_END;
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m[nrl] -= ncl;
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for(i=nrl+1;i<=nrh;i++) m[i]=m[i-1]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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float **submatrix(a,oldrl,oldrh,oldcl,oldch,newrl,newcl)
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float **a;
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long newcl,newrl,oldch,oldcl,oldrh,oldrl;
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/* point a submatrix [newrl..][newcl..] to a[oldrl..oldrh][oldcl..oldch] */
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{
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long i,j,nrow=oldrh-oldrl+1,ncol=oldcl-newcl;
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float **m;
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/* allocate array of pointers to rows */
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m=(float **) malloc((unsigned int) ((nrow+NR_END)*sizeof(float*)));
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if (!m) nrerror("allocation failure in submatrix()");
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m += NR_END;
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m -= newrl;
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/* set pointers to rows */
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for(i=oldrl,j=newrl;i<=oldrh;i++,j++) m[j]=a[i]+ncol;
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/* return pointer to array of pointers to rows */
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return m;
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}
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float **convert_matrix(a,nrl,nrh,ncl,nch)
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float *a;
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long nch,ncl,nrh,nrl;
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/* allocate a float matrix m[nrl..nrh][ncl..nch] that points to the matrix
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declared in the standard C manner as a[nrow][ncol], where nrow=nrh-nrl+1
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and ncol=nch-ncl+1. The routine should be called with the address
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&a[0][0] as the first argument. */
|
|
{
|
|
long i,j,nrow=nrh-nrl+1,ncol=nch-ncl+1;
|
|
float **m;
|
|
|
|
/* allocate pointers to rows */
|
|
m=(float **) malloc((unsigned int) ((nrow+NR_END)*sizeof(float*)));
|
|
if (!m) nrerror("allocation failure in convert_matrix()");
|
|
m += NR_END;
|
|
m -= nrl;
|
|
|
|
/* set pointers to rows */
|
|
m[nrl]=a-ncl;
|
|
for(i=1,j=nrl+1;i<nrow;i++,j++) m[j]=m[j-1]+ncol;
|
|
/* return pointer to array of pointers to rows */
|
|
return m;
|
|
}
|
|
|
|
float ***f3tensor(nrl,nrh,ncl,nch,ndl,ndh)
|
|
long nch,ncl,ndh,ndl,nrh,nrl;
|
|
/* allocate a float 3tensor with range t[nrl..nrh][ncl..nch][ndl..ndh] */
|
|
{
|
|
long i,j,nrow=nrh-nrl+1,ncol=nch-ncl+1,ndep=ndh-ndl+1;
|
|
float ***t;
|
|
|
|
/* allocate pointers to pointers to rows */
|
|
t=(float ***) malloc((unsigned int)((nrow+NR_END)*sizeof(float**)));
|
|
if (!t) nrerror("allocation failure 1 in f3tensor()");
|
|
t += NR_END;
|
|
t -= nrl;
|
|
|
|
/* allocate pointers to rows and set pointers to them */
|
|
t[nrl]=(float **) malloc((unsigned int)((nrow*ncol+NR_END)*sizeof(float*)));
|
|
if (!t[nrl]) nrerror("allocation failure 2 in f3tensor()");
|
|
t[nrl] += NR_END;
|
|
t[nrl] -= ncl;
|
|
|
|
/* allocate rows and set pointers to them */
|
|
t[nrl][ncl]=(float *) malloc((unsigned int)((nrow*ncol*ndep+NR_END)*sizeof(float)));
|
|
if (!t[nrl][ncl]) nrerror("allocation failure 3 in f3tensor()");
|
|
t[nrl][ncl] += NR_END;
|
|
t[nrl][ncl] -= ndl;
|
|
|
|
for(j=ncl+1;j<=nch;j++) t[nrl][j]=t[nrl][j-1]+ndep;
|
|
for(i=nrl+1;i<=nrh;i++) {
|
|
t[i]=t[i-1]+ncol;
|
|
t[i][ncl]=t[i-1][ncl]+ncol*ndep;
|
|
for(j=ncl+1;j<=nch;j++) t[i][j]=t[i][j-1]+ndep;
|
|
}
|
|
|
|
/* return pointer to array of pointers to rows */
|
|
return t;
|
|
}
|
|
|
|
void free_vector(v,nl,nh)
|
|
float *v;
|
|
long nh,nl;
|
|
/* free a float vector allocated with vector() */
|
|
{
|
|
free((FREE_ARG) (v+nl-NR_END));
|
|
}
|
|
|
|
void free_ivector(v,nl,nh)
|
|
int *v;
|
|
long nh,nl;
|
|
/* free an int vector allocated with ivector() */
|
|
{
|
|
free((FREE_ARG) (v+nl-NR_END));
|
|
}
|
|
|
|
void free_cvector(v,nl,nh)
|
|
long nh,nl;
|
|
unsigned char *v;
|
|
/* free an unsigned char vector allocated with cvector() */
|
|
{
|
|
free((FREE_ARG) (v+nl-NR_END));
|
|
}
|
|
|
|
void free_lvector(v,nl,nh)
|
|
long nh,nl;
|
|
unsigned long *v;
|
|
/* free an unsigned long vector allocated with lvector() */
|
|
{
|
|
free((FREE_ARG) (v+nl-NR_END));
|
|
}
|
|
|
|
void free_dvector(v,nl,nh)
|
|
double *v;
|
|
long nh,nl;
|
|
/* free a double vector allocated with dvector() */
|
|
{
|
|
free((FREE_ARG) (v+nl-NR_END));
|
|
}
|
|
|
|
void free_matrix(m,nrl,nrh,ncl,nch)
|
|
float **m;
|
|
long nch,ncl,nrh,nrl;
|
|
/* free a float matrix allocated by matrix() */
|
|
{
|
|
free((FREE_ARG) (m[nrl]+ncl-NR_END));
|
|
free((FREE_ARG) (m+nrl-NR_END));
|
|
}
|
|
|
|
void free_dmatrix(m,nrl,nrh,ncl,nch)
|
|
double **m;
|
|
long nch,ncl,nrh,nrl;
|
|
/* free a double matrix allocated by dmatrix() */
|
|
{
|
|
free((FREE_ARG) (m[nrl]+ncl-NR_END));
|
|
free((FREE_ARG) (m+nrl-NR_END));
|
|
}
|
|
|
|
void free_imatrix(m,nrl,nrh,ncl,nch)
|
|
int **m;
|
|
long nch,ncl,nrh,nrl;
|
|
/* free an int matrix allocated by imatrix() */
|
|
{
|
|
free((FREE_ARG) (m[nrl]+ncl-NR_END));
|
|
free((FREE_ARG) (m+nrl-NR_END));
|
|
}
|
|
|
|
void free_submatrix(b,nrl,nrh,ncl,nch)
|
|
float **b;
|
|
long nch,ncl,nrh,nrl;
|
|
/* free a submatrix allocated by submatrix() */
|
|
{
|
|
free((FREE_ARG) (b+nrl-NR_END));
|
|
}
|
|
|
|
void free_convert_matrix(b,nrl,nrh,ncl,nch)
|
|
float **b;
|
|
long nch,ncl,nrh,nrl;
|
|
/* free a matrix allocated by convert_matrix() */
|
|
{
|
|
free((FREE_ARG) (b+nrl-NR_END));
|
|
}
|
|
|
|
void free_f3tensor(t,nrl,nrh,ncl,nch,ndl,ndh)
|
|
float ***t;
|
|
long nch,ncl,ndh,ndl,nrh,nrl;
|
|
/* free a float f3tensor allocated by f3tensor() */
|
|
{
|
|
free((FREE_ARG) (t[nrl][ncl]+ndl-NR_END));
|
|
free((FREE_ARG) (t[nrl]+ncl-NR_END));
|
|
free((FREE_ARG) (t+nrl-NR_END));
|
|
}
|
|
|
|
#endif /* ANSI */ |