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Diffstat (limited to 'src/list_tmp.h')
-rw-r--r-- | src/list_tmp.h | 106 |
1 files changed, 106 insertions, 0 deletions
diff --git a/src/list_tmp.h b/src/list_tmp.h new file mode 100644 index 00000000..a524b2f9 --- /dev/null +++ b/src/list_tmp.h @@ -0,0 +1,106 @@ +/* + * Template for creating indexed 3D lists of a given type, usually indexed + * as signed h,k,l values where -INDMAX<={h,k,l}<=+INDMAX. + * + * These are used, for example, for: + * - a list of 'double complex' values for storing structure factors, + * - a list of 'double' values for storing reflection intensities, + * - a list of 'unsigned int' values for counts of some sort. + * + * When LABEL and TYPE are #defined appropriately, including this header + * defines functions such as: + * - new_list_<LABEL>(), for creating a new list of the given type, + * - set_<LABEL>(), for setting a value in a list, + * - lookup_<LABEL>(), for retrieving values from a list, + * ..and so on. + * + * See src/utils.h for more information. + * + */ + +#include <stdio.h> + +#define ERROR_T(...) fprintf(stderr, __VA_ARGS__) + +static inline void LABEL(integrate)(TYPE *ref, signed int h, + signed int k, signed int l, + TYPE i) +{ + int idx; + + if ( (abs(h) > INDMAX) || (abs(k) > INDMAX) || (abs(l) > INDMAX) ) { + ERROR_T("\nReflection %i %i %i is out of range!\n", h, k, l); + ERROR_T("You need to re-configure INDMAX and re-run.\n"); + exit(1); + } + + if ( h < 0 ) h += IDIM; + if ( k < 0 ) k += IDIM; + if ( l < 0 ) l += IDIM; + + idx = h + (IDIM*k) + (IDIM*IDIM*l); + ref[idx] += i; +} + + +static inline void LABEL(set)(TYPE *ref, signed int h, + signed int k, signed int l, + TYPE i) +{ + int idx; + + if ( (abs(h) > INDMAX) || (abs(k) > INDMAX) || (abs(l) > INDMAX) ) { + ERROR_T("\nReflection %i %i %i is out of range!\n", h, k, l); + ERROR_T("You need to re-configure INDMAX and re-run.\n"); + exit(1); + } + + if ( h < 0 ) h += IDIM; + if ( k < 0 ) k += IDIM; + if ( l < 0 ) l += IDIM; + + idx = h + (IDIM*k) + (IDIM*IDIM*l); + ref[idx] = i; +} + + +static inline TYPE LABEL(lookup)(const TYPE *ref, signed int h, + signed int k, signed int l) +{ + int idx; + + if ( (abs(h) > INDMAX) || (abs(k) > INDMAX) || (abs(l) > INDMAX) ) { + ERROR_T("\nReflection %i %i %i is out of range!\n", h, k, l); + ERROR_T("You need to re-configure INDMAX and re-run.\n"); + exit(1); + } + + if ( h < 0 ) h += IDIM; + if ( k < 0 ) k += IDIM; + if ( l < 0 ) l += IDIM; + + idx = h + (IDIM*k) + (IDIM*IDIM*l); + return ref[idx]; +} + + +static inline TYPE *LABEL(new_list)(void) +{ + TYPE *r; + size_t r_size; + r_size = IDIM*IDIM*IDIM*sizeof(TYPE); + r = malloc(r_size); + memset(r, 0, r_size); + return r; +} + + +static inline void LABEL(zero_list)(TYPE *ref) +{ + memset(ref, 0, IDIM*IDIM*IDIM*sizeof(TYPE)); +} + + +#undef LABEL +#undef TYPE +#undef ERROR_T |