int tclcommand_analyze_set_parse_chain_topology(Tcl_Interp *interp, int argc, char **argv)
{
/* parses a chain topology (e.g. in 'analyze ( rg | <rg> ) [chain start n chains chain length]' , or
in 'analyze set chains <chain_start> <n_chains> <chain_length>') */
int m, i, pc;
if (argc < 3) {
Tcl_AppendResult(interp, "chain structure info consists of <start> <n> <length>", (char *)NULL);
return TCL_ERROR;
}
if (! (ARG0_IS_I(chain_start) && ARG1_IS_I(chain_n_chains) && ARG_IS_I(2, chain_length)))
return TCL_ERROR;
realloc_topology(chain_n_chains);
pc = 0;
for (m = 0; m < n_molecules; m++) {
topology[m].type = 0;
realloc_intlist(&topology[m].part, topology[m].part.n = chain_length);
for (i = 0; i < chain_length; i++)
topology[m].part.e[i] = pc++;
}
return TCL_OK;
}
int parse_generic_structure_info(Tcl_Interp *interp, int argc, char **argv)
{
int arg;
IntList il;
init_intlist(&il);
realloc_topology(argc);
for (arg = 0; arg < argc; arg++) {
if (!ARG_IS_INTLIST(arg, il)) {
realloc_topology(0);
realloc_intlist(&il, 0);
return TCL_ERROR;
}
topology[arg].type = il.e[0];
realloc_intlist(&topology[arg].part, topology[arg].part.n = il.n - 1);
memcpy(topology[arg].part.e, &il.e[1], (il.n - 1)*sizeof(int));
}
realloc_intlist(&il, 0);
return TCL_OK;
}
int tclcommand_analyze_parse_generic_structure(Tcl_Interp *interp, int argc, char **argv)
{
int arg;
IntList il;
init_intlist(&il);
realloc_topology(argc);
for (arg = 0; arg < argc; arg++) {
if (!ARG_IS_INTLIST(arg, il)) {
realloc_topology(0);
realloc_intlist(&il, 0);
return TCL_ERROR;
}
topology[arg].type = il.e[0];
realloc_intlist(&topology[arg].part, topology[arg].part.n = il.n - 1);
memmove(topology[arg].part.e, &il.e[1], (il.n - 1)*sizeof(int));
}
realloc_intlist(&il, 0);
return tclcommand_analyze_set_parse_topo_part_sync(interp);
}