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datei.c
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datei.c
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#include "typedef.h"
#include "tools.h"
#include "datei.h"
#include "getput.h"
#include "matrix.h"
int main (int argc, char *argv[])
{
char *filename;
char string[80];
char *fn,
*family_name;
symbol_out **B;
bravais_TYP *S;
matrix_TYP *X;
int ad_no = 0; /* number of homogenously decomposable groups in this family */
FILE *outfile;
int i,j;
/* scan_argv (argc, argv, &filename); */
/* changed to conform with the rest of the carat package */
read_header(argc,argv);
if (FILEANZ > 0)
filename = FILENAMES[0];
else
filename = NULL;
if ((is_option('h') && optionnumber('h') == 0) ||
FILEANZ > 1){
printf("Usage: %s [file]\n",argv[0]);
printf("\n");
printf("file: (OPTIONAL) contains a set of commands for Datei, which are otherwise\n");
printf(" asked from stdin.\n");
printf("\n");
printf("Accesses the catalog of bravais groups up to dimension 6.\n");
printf("\n");
printf("The first input for the catalog is the family symbol, whose grammar is\n");
printf("described in detail in the CARAT manual. It is build up from atomic symbols\n");
printf("which are seperated by `,' or `;' to indicate diagonals and direct products.\n");
printf("We just state the two important rules here:\n");
printf("\n");
printf(" LIST OF 'ATOMS':\n");
printf(" dim1: 1\n");
printf(" dim2: 2-1 2-1' 2-2 2-2'\n");
printf(" dim3: 3\n");
printf(" dim4: 4-1 4-1' 4-2 4-2' 4-3 4-3'\n");
printf(" dim5: 5-1 5-2\n");
printf(" dim6: 6-1 6-2 6-2' 6-3 6-3' 6-4 6-4'\n");
printf("\n");
printf("Meaning of `,': (X 0 0)\n");
printf(" A,A,A stands for groups of the form (0 X 0) with X in A\n");
printf(" (0 0 X)\n");
printf("Meaning of `;':\n");
printf(" A;B stands for groups of the form (X 0)\n");
printf(" (0 Y) with X in A and Y in B.\n");
printf("NOTE: The primed atoms 2-1' and 2-2' only occur in multiples, seperated by `,'.\n");
printf("Examples: 2-1,2-1;2-1 (degree 6)\n");
printf(" 1;1;1 (degree 3)\n");
printf(" 3,3 (degree 6)\n");
printf(" 4-1;1 (degree 5)\n");
printf("\n");
printf("Cf.: Symbol, Bravais_type.\n");
printf("Note: Bravais_catalog is a synonym for Datei.\n");
if (is_option('h')){
exit(0);
}
else{
exit(31);
}
}
B = (symbol_out **) malloc(1 *sizeof(symbol_out *));
B[0] = read_symbol(filename);
ad_no++;
/*
fprintf(stderr,"B[0]->fn: %s\n",B[0]->fn);
*/
family_name = strdup(B[0]->fn);
family_name = strstr(family_name, "dim");
family_name = family_name+5;
get_zentr(B[0]);
while(B[ad_no-1]->fn != NULL)
{
B = (symbol_out **) realloc(B, (ad_no+1) *sizeof(symbol_out *));
filename = B[ad_no-1]->fn;
B[ad_no] = get_symbol(filename);
ad_no++;
}
printf("The crystal-family %s contains %d homogeneously decomposable bravais-groups with\n", family_name, ad_no);
j=0;
for(i=0; i<ad_no; i++)
{
if(j != 0)
{
if(j == ad_no -1)
printf(" resp. ");
else
printf(", ");
}
printf(" %d", (B[i]->grp->zentr_no+1));
j = 1;
}
printf("\n Z-classes of Bravais groups.\n");
printf("Do you want to calculate bravais-groups? (y or n): ");
fn = (char *) malloc(80 *sizeof(char));
scanf( "%[ \t\n]", fn);
scanf( "%[^\n]", fn);
while(strncmp(fn, "y", 1) != 0 && strncmp(fn, "n", 1) != 0)
{
scanf( "%[ \t\n]", fn);
scanf( "%[^\n]", fn);
}
if(strncmp(fn, "n", 1) == 0)
exit(0);
/*-----------------------------------------------------*\
| read and open output-file |
\*-----------------------------------------------------*/
printf("Please input a filename (stdout = standard output): ");
scanf( "%[ \t\n]", fn);
scanf( "%[^\n]", fn);
if(strncmp(fn, "stdout", 6) == 0)
fn = NULL;
if(fn == NULL)
outfile = stdout;
else
outfile = fopen( fn, "w");
printf("Which bravais-groups should be printed? (a(ll) or s(election): ");
scanf( "%[ \t\n]", string);
scanf( "%[^\n]", string);
while(strncmp(string, "a", 1) != 0 && strncmp(string, "s", 1) != 0)
{
scanf( "%[ \t\n]", string);
scanf( "%[^\n]", string);
}
if(strncmp(string, "a", 1) == 0)
{
for(i=0; i<ad_no; i++)
{
fput_bravais(outfile, B[i]->grp, "homogenously decomposable bravais-group");
fflush(outfile);
for(j=0; j<B[i]->grp->zentr_no; j++)
{
X = B[i]->grp->zentr[j];
S = Z_class(B[i]->grp, X);
fput_bravais(outfile, S, "not homogenously decomposable bravais-group");
fflush(outfile);
free_bravais(S);
}
}
exit(0);
}
strcpy(string, "y");
while(strncmp(string, "y", 1) == 0)
{
printf("Please enter index i of homogeneously decomposable bravais-group, 1<= i<= %d: ", ad_no);
scanf("%d", &i);
i--;
if(i<0 || i>= ad_no)
printf("There is no homogenously decomposable bravais-group of this index\n");
else
{
printf("Please enter index j of bravais-group belonging to this homogenously decomposable\n");
printf("1 <= j =< %d: ", (B[i]->grp->zentr_no+1));
scanf("%d", &j);
j--;
if(j== 0)
fput_bravais(outfile, B[i]->grp, "homogeneously decomposable bravais-group");
else
{
j--;
if(j<0 || j>=B[i]->grp->zentr_no)
printf("There is no bravais-group of this index\n");
else
{
X = B[i]->grp->zentr[j];
S = Z_class(B[i]->grp, X);
fput_bravais(outfile, S, "not homogeneously decomposable bravais-group");
free_bravais(S);
}
}
}
printf("Do you want further bravais-groups? (y or n): ");
scanf( "%[ \t\n]", string);
scanf( "%[^\n]", string);
while(strncmp(string, "y", 1) != 0 && strncmp(string, "n", 1) != 0)
{
scanf( "%[ \t\n]", string);
scanf( "%[^\n]", string);
}
/* inserted to enable multiple output files, tilman 05/06/97 */
if (strncmp(string,"y",1) == 0){
printf("If you want a different file, insert it: (no/filename)");
if (fn == NULL) fn = (char *) malloc(1024*sizeof(char));
scanf( "%[ \t\n]", fn);
scanf( "%[^\n]", fn);
if (strcmp(fn,"no") != 0){
fclose (outfile);
outfile = fopen( fn, "w");
}
}
}
if ( outfile != stdout ) {
fclose (outfile);
}
exit(0);
}
/*{{{}}}*/