113 CCP4SPG *ccp4spg_load_by_standard_num(
const int numspg);
119 CCP4SPG *ccp4spg_load_by_ccp4_num(
const int ccp4numspg);
125 CCP4SPG *ccp4spg_load_by_spgname(
const char *spgname);
134 CCP4SPG *ccp4spg_load_by_ccp4_spgname(
const char *ccp4spgname);
154 CCP4SPG *ccp4spg_load_spacegroup(
const int numspg,
const int ccp4numspg,
155 const char *spgname,
const char *ccp4spgname,
176 void ccp4spg_free(
CCP4SPG **sp);
199 int ccp4_spg_get_centering(
const char *symbol_Hall,
float cent_ops[4][3]);
206 int ccp4spg_load_laue(
CCP4SPG* spacegroup,
const int nlaue);
211 int ASU_1b (
const int h,
const int k,
const int l);
216 int ASU_2_m (
const int h,
const int k,
const int l);
221 int ASU_mmm (
const int h,
const int k,
const int l);
226 int ASU_4_m (
const int h,
const int k,
const int l);
231 int ASU_4_mmm(
const int h,
const int k,
const int l);
236 int ASU_3b (
const int h,
const int k,
const int l);
241 int ASU_3bm (
const int h,
const int k,
const int l);
246 int ASU_3bmx (
const int h,
const int k,
const int l);
251 int ASU_6_m (
const int h,
const int k,
const int l);
256 int ASU_6_mmm(
const int h,
const int k,
const int l);
261 int ASU_m3b (
const int h,
const int k,
const int l);
266 int ASU_m3bm (
const int h,
const int k,
const int l);
272 char *ccp4spg_symbol_Hall(
CCP4SPG* sp);
288 int ccp4spg_name_equal(
const char *spgname1,
const char *spgname2);
301 int ccp4spg_name_equal_to_lib(
const char *spgname_lib,
const char *spgname_match);
310 char *ccp4spg_to_shortname(
char *shortname,
const char *longname);
318 void ccp4spg_name_de_colon(
char *name);
327 int ccp4spg_pgname_equal(
const char *pgname1,
const char *pgname2);
363 int ccp4_int_compare(
const void *p1,
const void *p2 );
372 int ccp4spg_is_in_pm_asu(
const CCP4SPG* sp,
const int h,
const int k,
const int l);
381 int ccp4spg_is_in_asu(
const CCP4SPG* sp,
const int h,
const int k,
const int l);
397 int ccp4spg_put_in_asu(
const CCP4SPG* sp,
const int hin,
const int kin,
const int lin,
398 int *hout,
int *kout,
int *lout );
412 void ccp4spg_generate_indices(
const CCP4SPG* sp,
const int isym,
413 const int hin,
const int kin,
const int lin,
414 int *hout,
int *kout,
int *lout );
426 float ccp4spg_phase_shift(
const int hin,
const int kin,
const int lin,
427 const float phasin,
const float trans[3],
const int isign);
434 int ccp4spg_do_chb(
const float chb[3][3]);
441 void ccp4spg_set_centric_zones(
CCP4SPG* sp);
452 int ccp4spg_is_centric(
const CCP4SPG* sp,
const int h,
const int k,
const int l);
461 int ccp4spg_check_centric_zone(
const int nzone,
const int h,
const int k,
const int l);
471 float ccp4spg_centric_phase(
const CCP4SPG* sp,
const int h,
const int k,
const int l);
477 void ccp4spg_print_centric_zones(
const CCP4SPG* sp);
484 char *ccp4spg_describe_centric_zone(
const int nzone,
char *centric_zone);
491 void ccp4spg_set_epsilon_zones(
CCP4SPG* sp);
501 int ccp4spg_get_multiplicity(
const CCP4SPG* sp,
const int h,
const int k,
const int l);
510 int ccp4spg_check_epsilon_zone(
const int nzone,
const int h,
const int k,
const int l);
516 void ccp4spg_print_epsilon_zones(
const CCP4SPG* sp);
523 char *ccp4spg_describe_epsilon_zone(
const int nzone,
char *epsilon_zone);
533 int ccp4spg_is_sysabs(
const CCP4SPG* sp,
const int h,
const int k,
const int l);
546 int ccp4spg_generate_origins(
const char *namspg,
const int nsym,
const float rsym[][4][4],
547 float origins[][3],
int *polarx,
int *polary,
int *polarz,
554 void ccp4spg_print_recip_spgrp(
const CCP4SPG* sp);
560 void ccp4spg_print_recip_ops(
const CCP4SPG* sp);
568 int range_to_limits(
const char *range,
float limits[2]);
581 void set_fft_grid(
CCP4SPG* sp,
const int nxmin,
const int nymin,
const int nzmin,
582 const float sample,
int *nx,
int *ny,
int *nz);
589 int all_factors_le_19(
const int n);
598 int get_grid_sample(
const int minsmp,
const int nmul,
const float sample);
607 int ccp4spg_check_symm_cell(
int nsym,
float rsym[][4][4],
float cell[6]);