From 4e0fe58f0d35f2a73f718917b2b99dc17fb9f7dd Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 30 May 2012 17:17:11 +0200 Subject: Formatting --- libcrystfel/src/cell.c | 28 ++++++++------ libcrystfel/src/dirax.c | 22 +++++------ libcrystfel/src/hdf5-file.c | 15 +++----- libcrystfel/src/index.c | 52 ++++++++++++++++++-------- libcrystfel/src/mosflm.c | 20 +++++----- libcrystfel/src/render.c | 69 +++++++++++++++++++---------------- libcrystfel/src/statistics.c | 37 ++++++++++++------- src/check_hkl.c | 17 +++++---- src/cl-utils.c | 87 +++++++++++++++++++++++++++++++++----------- src/compare_hkl.c | 22 ++++++----- src/get_hkl.c | 22 ++++++----- src/hdfsee.c | 23 ++++++------ src/partial_sim.c | 30 ++++++++------- src/partialator.c | 24 ++++++------ src/pattern_sim.c | 34 +++++++++-------- src/post-refinement.c | 24 ++++++------ src/powder_plot.c | 57 ++++++++++++++++------------- src/render_hkl.c | 58 ++++++++++++++++++----------- 18 files changed, 375 insertions(+), 266 deletions(-) diff --git a/libcrystfel/src/cell.c b/libcrystfel/src/cell.c index 8412fc62..31d3b9b1 100644 --- a/libcrystfel/src/cell.c +++ b/libcrystfel/src/cell.c @@ -424,7 +424,7 @@ int cell_get_parameters(UnitCell *cell, double *a, double *b, double *c, switch ( cell->rep ) { - case CELL_REP_CRYST: + case CELL_REP_CRYST: /* Direct response */ *a = cell->a; *b = cell->b; @@ -434,7 +434,7 @@ int cell_get_parameters(UnitCell *cell, double *a, double *b, double *c, *gamma = cell->gamma; return 0; - case CELL_REP_CART: + case CELL_REP_CART: /* Convert cartesian -> crystallographic */ *a = modulus(cell->ax, cell->ay, cell->az); *b = modulus(cell->bx, cell->by, cell->bz); @@ -448,7 +448,7 @@ int cell_get_parameters(UnitCell *cell, double *a, double *b, double *c, cell->bx, cell->by, cell->bz); return 0; - case CELL_REP_RECIP: + case CELL_REP_RECIP: /* Convert reciprocal -> crystallographic. * Start by converting reciprocal -> cartesian */ cell_invert(cell->axs, cell->ays, cell->azs, @@ -480,21 +480,21 @@ int cell_get_cartesian(UnitCell *cell, switch ( cell->rep ) { - case CELL_REP_CRYST: + case CELL_REP_CRYST: /* Convert crystallographic -> cartesian. */ return cell_crystallographic_to_cartesian(cell, ax, ay, az, bx, by, bz, cx, cy, cz); - case CELL_REP_CART: + case CELL_REP_CART: /* Direct response */ *ax = cell->ax; *ay = cell->ay; *az = cell->az; *bx = cell->bx; *by = cell->by; *bz = cell->bz; *cx = cell->cx; *cy = cell->cy; *cz = cell->cz; return 0; - case CELL_REP_RECIP: + case CELL_REP_RECIP: /* Convert reciprocal -> cartesian */ return cell_invert(cell->axs, cell->ays, cell->azs, cell->bxs, cell->bys, cell->bzs, @@ -518,7 +518,7 @@ int cell_get_reciprocal(UnitCell *cell, switch ( cell->rep ) { - case CELL_REP_CRYST: + case CELL_REP_CRYST: /* Convert crystallographic -> reciprocal */ r = cell_crystallographic_to_cartesian(cell, &ax, &ay, &az, @@ -528,7 +528,7 @@ int cell_get_reciprocal(UnitCell *cell, return cell_invert(ax, ay, az,bx, by, bz, cx, cy, cz, asx, asy, asz, bsx, bsy, bsz, csx, csy, csz); - case CELL_REP_CART: + case CELL_REP_CART: /* Convert cartesian -> reciprocal */ cell_invert(cell->ax, cell->ay, cell->az, cell->bx, cell->by, cell->bz, @@ -536,7 +536,7 @@ int cell_get_reciprocal(UnitCell *cell, asx, asy, asz, bsx, bsy, bsz, csx, csy, csz); return 0; - case CELL_REP_RECIP: + case CELL_REP_RECIP: /* Direct response */ *asx = cell->axs; *asy = cell->ays; *asz = cell->azs; *bsx = cell->bxs; *bsy = cell->bys; *bsz = cell->bzs; @@ -569,12 +569,16 @@ const char *cell_get_spacegroup(UnitCell *cell) static const char *cell_rep(UnitCell *cell) { switch ( cell->rep ) { - case CELL_REP_CRYST: + + case CELL_REP_CRYST: return "crystallographic, direct space"; - case CELL_REP_CART: + + case CELL_REP_CART: return "cartesian, direct space"; - case CELL_REP_RECIP: + + case CELL_REP_RECIP: return "cartesian, reciprocal space"; + } return "unknown"; diff --git a/libcrystfel/src/dirax.c b/libcrystfel/src/dirax.c index 20f48bd3..43de6c6e 100644 --- a/libcrystfel/src/dirax.c +++ b/libcrystfel/src/dirax.c @@ -226,37 +226,37 @@ static void dirax_send_next(struct image *image, struct dirax_data *dirax) switch ( dirax->step ) { - case 1 : + case 1 : dirax_sendline("\\echo off\n", dirax); break; - case 2 : + case 2 : snprintf(tmp, 31, "read xfel-%i.drx\n", image->id); dirax_sendline(tmp, dirax); break; - case 3 : + case 3 : dirax_sendline("dmax 1000\n", dirax); break; - case 4 : + case 4 : dirax_sendline("indexfit 2\n", dirax); break; - case 5 : + case 5 : dirax_sendline("levelfit 1000\n", dirax); break; - case 6 : + case 6 : dirax_sendline("go\n", dirax); dirax->finished_ok = 1; break; - case 7 : + case 7 : dirax_sendline("acl\n", dirax); break; - case 8 : + case 8 : if ( dirax->best_acl_nh == 0 ) { /* At this point, DirAx is presenting its ACL prompt * and waiting for a single number. Use an extra @@ -270,11 +270,11 @@ static void dirax_send_next(struct image *image, struct dirax_data *dirax) dirax_sendline(tmp, dirax); break; - case 9 : + case 9 : dirax_sendline("cell\n", dirax); break; - case 10 : + case 10 : if ( dirax->n_acls_tried == MAX_DIRAX_CELL_CANDIDATES ) { dirax_sendline("exit\n", dirax); } else { @@ -285,7 +285,7 @@ static void dirax_send_next(struct image *image, struct dirax_data *dirax) } break; - default: + default: dirax_sendline("exit\n", dirax); return; diff --git a/libcrystfel/src/hdf5-file.c b/libcrystfel/src/hdf5-file.c index 88d11bff..9924e665 100644 --- a/libcrystfel/src/hdf5-file.c +++ b/libcrystfel/src/hdf5-file.c @@ -719,6 +719,9 @@ char *hdfile_get_string_value(struct hdfile *f, const char *name) hsize_t max_size; hid_t type; hid_t class; + herr_t r; + int buf; + char *tmp; dh = H5Dopen2(f->fh, name, H5P_DEFAULT); if ( dh < 0 ) return NULL; @@ -761,11 +764,8 @@ char *hdfile_get_string_value(struct hdfile *f, const char *name) } switch ( class ) { - case H5T_FLOAT : { - herr_t r; - double buf; - char *tmp; + case H5T_FLOAT : r = H5Dread(dh, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, H5P_DEFAULT, &buf); @@ -776,12 +776,8 @@ char *hdfile_get_string_value(struct hdfile *f, const char *name) return tmp; - } - case H5T_INTEGER : { + case H5T_INTEGER : - herr_t r; - int buf; - char *tmp; r = H5Dread(dh, H5T_NATIVE_INT, H5S_ALL, H5S_ALL, H5P_DEFAULT, &buf); @@ -791,6 +787,7 @@ char *hdfile_get_string_value(struct hdfile *f, const char *name) snprintf(tmp, 255, "%d", buf); return tmp; + } default : { goto fail; diff --git a/libcrystfel/src/index.c b/libcrystfel/src/index.c index 3d0f164b..f4bc9d6c 100644 --- a/libcrystfel/src/index.c +++ b/libcrystfel/src/index.c @@ -83,18 +83,23 @@ IndexingPrivate **prepare_indexing(IndexingMethod *indm, UnitCell *cell, for ( n=0; nindm ) { - case INDEXING_NONE : + + case INDEXING_NONE : free(priv[n]); break; - case INDEXING_DIRAX : + + case INDEXING_DIRAX : free(priv[n]); break; - case INDEXING_MOSFLM : + + case INDEXING_MOSFLM : free(priv[n]); break; - case INDEXING_REAX : + + case INDEXING_REAX : reax_cleanup(priv[n]); break; + } n++; @@ -173,17 +183,22 @@ void index_pattern(struct image *image, UnitCell *cell, IndexingMethod *indm, /* Index as appropriate */ switch ( indm[n] ) { - case INDEXING_NONE : + + case INDEXING_NONE : return; - case INDEXING_DIRAX : + + case INDEXING_DIRAX : run_dirax(image); break; - case INDEXING_MOSFLM : + + case INDEXING_MOSFLM : run_mosflm(image, cell); break; - case INDEXING_REAX : + + case INDEXING_REAX : reax_index(ipriv[n], image, cell); break; + } if ( image->ncells == 0 ) { n++; @@ -205,20 +220,25 @@ void index_pattern(struct image *image, UnitCell *cell, IndexingMethod *indm, /* Match or reduce the cell as appropriate */ switch ( cellr ) { - case CELLR_NONE : + + case CELLR_NONE : new_cell = cell_new_from_cell(cand); break; - case CELLR_REDUCE : + + case CELLR_REDUCE : new_cell = match_cell(cand, cell, verbose, ltl, 1); break; - case CELLR_COMPARE : + + case CELLR_COMPARE : new_cell = match_cell(cand, cell, verbose, ltl, 0); break; - case CELLR_COMPARE_AB : + + case CELLR_COMPARE_AB : new_cell = match_cell_ab(cand, cell); break; + } /* No cell? Move on to the next candidate */ diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c index 3e29a4f8..410b779a 100644 --- a/libcrystfel/src/mosflm.c +++ b/libcrystfel/src/mosflm.c @@ -283,13 +283,13 @@ static void mosflm_send_next(struct image *image, struct mosflm_data *mosflm) switch ( mosflm->step ) { - case 1 : + case 1 : mosflm_sendline("DETECTOR ROTATION HORIZONTAL" " ANTICLOCKWISE ORIGIN LL FAST HORIZONTAL" " RECTANGULAR\n", mosflm); break; - case 2 : + case 2 : if ( mosflm->target_cell != NULL ) { cell_get_parameters(mosflm->target_cell, &a, &b, &c, &alpha, &beta, &gamma); @@ -303,7 +303,7 @@ static void mosflm_send_next(struct image *image, struct mosflm_data *mosflm) } break; - case 3 : + case 3 : if ( mosflm->target_cell != NULL ) { sg = cell_get_spacegroup(mosflm->target_cell); /* Remove white space from space group */ @@ -321,31 +321,31 @@ static void mosflm_send_next(struct image *image, struct mosflm_data *mosflm) } break; - case 4 : + case 4 : mosflm_sendline("DISTANCE 67.8\n", mosflm); break; - case 5 : + case 5 : mosflm_sendline("BEAM 0.0 0.0\n", mosflm); break; - case 6 : + case 6 : wavelength = image->lambda*1e10; snprintf(tmp, 255, "WAVELENGTH %10.5f\n", wavelength); mosflm_sendline(tmp, mosflm); break; - case 7 : + case 7 : snprintf(tmp, 255, "NEWMAT %s\n", mosflm->newmatfile); mosflm_sendline(tmp, mosflm); break; - case 8 : + case 8 : snprintf(tmp, 255, "IMAGE %s phi 0 0\n", mosflm->imagefile); mosflm_sendline(tmp, mosflm); break; - case 9 : + case 9 : snprintf(tmp, 255, "AUTOINDEX DPS FILE %s" " IMAGE 1 MAXCELL 1000 REFINE\n", mosflm->sptfile); @@ -357,7 +357,7 @@ static void mosflm_send_next(struct image *image, struct mosflm_data *mosflm) mosflm_sendline(tmp, mosflm); break; - case 10 : + case 10 : mosflm_sendline("GO\n", mosflm); mosflm->finished_ok = 1; break; diff --git a/libcrystfel/src/render.c b/libcrystfel/src/render.c index c9e1f01e..5d0cf9e8 100644 --- a/libcrystfel/src/render.c +++ b/libcrystfel/src/render.c @@ -64,34 +64,35 @@ static void render_rgb(double val, double max, s = 6; } switch ( s ) { - case 0 : { /* Black to blue */ - r = 0; g = 0; b = p; - break; - } - case 1 : { /* Blue to pink */ - r = p; g = 0; b = 1.0; - break; - } - case 2 : { /* Pink to red */ - r = 1.0; g = 0; b = (1.0-p)*1.0; - break; - } - case 3 : { /* Red to Orange */ - r = 1.0; g = 0.5*p; b = 0; - break; - } - case 4 : { /* Orange to Yellow */ - r = 1.0; g = 0.5 + 0.5*p; b = 0; - break; - } - case 5 : { /* Yellow to White */ - r = 1.0; g = 1.0; b = 1.0*p; - break; - } - case 6 : { /* Pixel has hit the maximum value */ - r = 1.0; g = 1.0; b = 1.0; - break; - } + + case 0 : /* Black to blue */ + r = 0; g = 0; b = p; + break; + + case 1 : /* Blue to pink */ + r = p; g = 0; b = 1.0; + break; + + case 2 : /* Pink to red */ + r = 1.0; g = 0; b = (1.0-p)*1.0; + break; + + case 3 : /* Red to Orange */ + r = 1.0; g = 0.5*p; b = 0; + break; + + case 4 : /* Orange to Yellow */ + r = 1.0; g = 0.5 + 0.5*p; b = 0; + break; + + case 5 : /* Yellow to White */ + r = 1.0; g = 1.0; b = 1.0*p; + break; + + case 6 : /* Pixel has hit the maximum value */ + r = 1.0; g = 1.0; b = 1.0; + break; + } *rp = r; @@ -144,16 +145,20 @@ void render_scale(double val, double max, int scale, double *rp, double *gp, double *bp) { switch ( scale ) { - case SCALE_COLOUR : + + case SCALE_COLOUR : render_rgb(val, max, rp, gp, bp); break; - case SCALE_MONO : + + case SCALE_MONO : render_mono(val, max, rp, gp, bp); break; - case SCALE_INVMONO : + + case SCALE_INVMONO : render_invmono(val, max, rp, gp, bp); break; - case SCALE_RATIO : + + case SCALE_RATIO : render_ratio(val, max, rp, gp, bp); break; } diff --git a/libcrystfel/src/statistics.c b/libcrystfel/src/statistics.c index 6ddf2850..56273fdb 100644 --- a/libcrystfel/src/statistics.c +++ b/libcrystfel/src/statistics.c @@ -407,22 +407,28 @@ static double calc_r(double scale, void *params) struct r_params *rp = params; switch ( rp->fom ) { - case R_1_ZERO : + + case R_1_ZERO : return internal_r1_negstozero(rp->list1, rp->list2, scale); - case R_1_IGNORE : + + case R_1_IGNORE : return internal_r1_ignorenegs(rp->list1, rp->list2, scale); - case R_2 : + + case R_2 : return internal_r2(rp->list1, rp->list2, scale); - case R_1_I : + case R_1_I : return internal_r_i(rp->list1, rp->list2, scale); - case R_DIFF_ZERO : + case R_DIFF_ZERO : return internal_rdiff_negstozero(rp->list1, rp->list2,scale); - case R_DIFF_IGNORE : + + case R_DIFF_IGNORE : return internal_rdiff_ignorenegs(rp->list1, rp->list2, scale); - case R_DIFF_INTENSITY : + + case R_DIFF_INTENSITY : return internal_rdiff_intensity(rp->list1, rp->list2, scale); + } ERROR("No such FoM!\n"); @@ -457,17 +463,20 @@ static double r_minimised(RefList *list1, RefList *list2, double *scalep, int fo /* Initial guess */ switch ( fom ) { - case R_1_ZERO : - case R_1_IGNORE : - case R_DIFF_ZERO : - case R_DIFF_IGNORE : + + case R_1_ZERO : + case R_1_IGNORE : + case R_DIFF_ZERO : + case R_DIFF_IGNORE : scale = stat_scale_sqrti(list1, list2); break; - case R_2 : - case R_1_I : - case R_DIFF_INTENSITY : + + case R_2 : + case R_1_I : + case R_DIFF_INTENSITY : scale = stat_scale_intensity(list1, list2); break; + } //STATUS("Initial scale factor estimate: %5.2e\n", scale); diff --git a/src/check_hkl.c b/src/check_hkl.c index 649b86af..4927e60e 100644 --- a/src/check_hkl.c +++ b/src/check_hkl.c @@ -339,43 +339,44 @@ int main(int argc, char *argv[]) while ((c = getopt_long(argc, argv, "hy:p:", longopts, NULL)) != -1) { switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 'y' : + case 'y' : sym_str = strdup(optarg); break; - case 'p' : + case 'p' : pdb = strdup(optarg); break; - case 0 : + case 0 : break; - case 2 : + case 2 : if ( sscanf(optarg, "%e", &rmin_fix) != 1 ) { ERROR("Invalid value for --rmin\n"); return 1; } break; - case 3 : + case 3 : if ( sscanf(optarg, "%e", &rmax_fix) != 1 ) { ERROR("Invalid value for --rmax\n"); return 1; } break; - case 4 : + case 4 : if ( sscanf(optarg, "%f", &sigma_cutoff) != 1 ) { ERROR("Invalid value for --sigma-cutoff\n"); return 1; } break; - default : + default : return 1; } diff --git a/src/cl-utils.c b/src/cl-utils.c index ae146ed0..71ff25b5 100644 --- a/src/cl-utils.c +++ b/src/cl-utils.c @@ -46,28 +46,71 @@ const char *clError(cl_int err) { switch ( err ) { - case CL_SUCCESS : return "no error"; - case CL_INVALID_PLATFORM : return "invalid platform"; - case CL_INVALID_KERNEL : return "invalid kernel"; - case CL_INVALID_ARG_INDEX : return "invalid argument index"; - case CL_INVALID_ARG_VALUE : return "invalid argument value"; - case CL_INVALID_MEM_OBJECT : return "invalid memory object"; - case CL_INVALID_SAMPLER : return "invalid sampler"; - case CL_INVALID_ARG_SIZE : return "invalid argument size"; - case CL_INVALID_COMMAND_QUEUE : return "invalid command queue"; - case CL_INVALID_CONTEXT : return "invalid context"; - case CL_INVALID_VALUE : return "invalid value"; - case CL_INVALID_EVENT_WAIT_LIST : return "invalid wait list"; - case CL_MAP_FAILURE : return "map failure"; - case CL_MEM_OBJECT_ALLOCATION_FAILURE : return "object allocation failure"; - case CL_OUT_OF_HOST_MEMORY : return "out of host memory"; - case CL_OUT_OF_RESOURCES : return "out of resources"; - case CL_INVALID_KERNEL_NAME : return "invalid kernel name"; - case CL_INVALID_KERNEL_ARGS : return "invalid kernel arguments"; - case CL_INVALID_WORK_GROUP_SIZE : return "invalid work group size"; - case CL_IMAGE_FORMAT_NOT_SUPPORTED : return "image format not supported"; - case CL_INVALID_WORK_DIMENSION : return "invalid work dimension"; - default : + + case CL_SUCCESS : + return "no error"; + + case CL_INVALID_PLATFORM : + return "invalid platform"; + + case CL_INVALID_KERNEL : + return "invalid kernel"; + + case CL_INVALID_ARG_INDEX : + return "invalid argument index"; + + case CL_INVALID_ARG_VALUE : + return "invalid argument value"; + + case CL_INVALID_MEM_OBJECT : + return "invalid memory object"; + + case CL_INVALID_SAMPLER : + return "invalid sampler"; + + case CL_INVALID_ARG_SIZE : + return "invalid argument size"; + + case CL_INVALID_COMMAND_QUEUE : + return "invalid command queue"; + + case CL_INVALID_CONTEXT : + return "invalid context"; + + case CL_INVALID_VALUE : + return "invalid value"; + + case CL_INVALID_EVENT_WAIT_LIST : + return "invalid wait list"; + + case CL_MAP_FAILURE : + return "map failure"; + + case CL_MEM_OBJECT_ALLOCATION_FAILURE : + return "object allocation failure"; + + case CL_OUT_OF_HOST_MEMORY : + return "out of host memory"; + + case CL_OUT_OF_RESOURCES : + return "out of resources"; + + case CL_INVALID_KERNEL_NAME : + return "invalid kernel name"; + + case CL_INVALID_KERNEL_ARGS : + return "invalid kernel arguments"; + + case CL_INVALID_WORK_GROUP_SIZE : + return "invalid work group size"; + + case CL_IMAGE_FORMAT_NOT_SUPPORTED : + return "image format not supported"; + + case CL_INVALID_WORK_DIMENSION : + return "invalid work dimension"; + + default : return "unknown error"; } } diff --git a/src/compare_hkl.c b/src/compare_hkl.c index 5846682f..b926c3ae 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -331,49 +331,51 @@ int main(int argc, char *argv[]) { switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 'o' : + case 'o' : ratiofile = strdup(optarg); break; - case 'y' : + case 'y' : sym_str = strdup(optarg); break; - case 'p' : + case 'p' : pdb = strdup(optarg); break; - case 'u' : + case 'u' : config_unity = 1; break; - case 0 : + case 0 : break; - case 2 : + case 2 : if ( sscanf(optarg, "%e", &rmin_fix) != 1 ) { ERROR("Invalid value for --rmin\n"); return 1; } break; - case 3 : + case 3 : if ( sscanf(optarg, "%e", &rmax_fix) != 1 ) { ERROR("Invalid value for --rmax\n"); return 1; } break; - case 4 : + case 4 : config_shells = get_r_shell(optarg); break; - default : + default : return 1; + } } diff --git a/src/get_hkl.c b/src/get_hkl.c index 9f86f0f7..de5d74de 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -391,44 +391,46 @@ int main(int argc, char *argv[]) longopts, NULL)) != -1) { switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 't' : + case 't' : template = strdup(optarg); break; - case 'o' : + case 'o' : output = strdup(optarg); break; - case 'i' : + case 'i' : input_file = strdup(optarg); break; - case 'y' : + case 'y' : mero_str = strdup(optarg); break; - case 'w' : + case 'w' : holo_str = strdup(optarg); break; - case 'e' : + case 'e' : expand_str = strdup(optarg); break; - case 2 : + case 2 : adu_per_photon = strtof(optarg, NULL); have_adu_per_photon = 1; break; - case 0 : + case 0 : break; - default : + default : return 1; + } } diff --git a/src/hdfsee.c b/src/hdfsee.c index 22302ec8..613572a2 100644 --- a/src/hdfsee.c +++ b/src/hdfsee.c @@ -151,15 +151,16 @@ int main(int argc, char *argv[]) char *test; switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 'p' : + case 'p' : peaks = strdup(optarg); break; - case 'i' : + case 'i' : boost = atoi(optarg); if ( boost < 1 ) { ERROR("Intensity boost must be a positive" @@ -168,7 +169,7 @@ int main(int argc, char *argv[]) } break; - case 'b' : + case 'b' : binning = atoi(optarg); if ( binning < 1 ) { ERROR("Binning must be a positive integer.\n"); @@ -176,19 +177,19 @@ int main(int argc, char *argv[]) } break; - case 'c' : + case 'c' : cscale = strdup(optarg); break; - case 'e' : + case 'e' : element = strdup(optarg); break; - case 'g' : + case 'g' : geometry = strdup(optarg); break; - case 2 : + case 2 : ring_size = strtod(optarg, &test); if ( test == optarg ) { ERROR("Ring size must be numerical.\n"); @@ -196,7 +197,7 @@ int main(int argc, char *argv[]) } break; - case 'r' : + case 'r' : config_showrings = 1; reslist = strdup(optarg); int nchar = strlen(reslist); @@ -219,10 +220,10 @@ int main(int argc, char *argv[]) } break; - case 0 : + case 0 : break; - default : + default : return 1; } diff --git a/src/partial_sim.c b/src/partial_sim.c index 39621a6c..6b99864e 100644 --- a/src/partial_sim.c +++ b/src/partial_sim.c @@ -343,47 +343,48 @@ int main(int argc, char *argv[]) longopts, NULL)) != -1) { switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 'o' : + case 'o' : output_file = strdup(optarg); break; - case 'i' : + case 'i' : input_file = strdup(optarg); break; - case 'b' : + case 'b' : beamfile = strdup(optarg); break; - case 'p' : + case 'p' : cellfile = strdup(optarg); break; - case 'g' : + case 'g' : geomfile = strdup(optarg); break; - case 'y' : + case 'y' : sym_str = strdup(optarg); break; - case 'n' : + case 'n' : n = atoi(optarg); break; - case 'r' : + case 'r' : save_file = strdup(optarg); break; - case 'j' : + case 'j' : n_threads = atoi(optarg); break; - case 'c' : + case 'c' : cnoise = strtod(optarg, &rval); if ( *rval != '\0' ) { ERROR("Invalid cell noise value.\n"); @@ -391,15 +392,16 @@ int main(int argc, char *argv[]) } break; - case 2 : + case 2 : phist_file = strdup(optarg); break; - case 0 : + case 0 : break; - default : + default : return 1; + } } diff --git a/src/partialator.c b/src/partialator.c index 91f2ff99..4fa8c2bd 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -325,35 +325,36 @@ int main(int argc, char *argv[]) { switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 'i' : + case 'i' : infile = strdup(optarg); break; - case 'g' : + case 'g' : geomfile = strdup(optarg); break; - case 'j' : + case 'j' : nthreads = atoi(optarg); break; - case 'y' : + case 'y' : sym_str = strdup(optarg); break; - case 'o' : + case 'o' : outfile = strdup(optarg); break; - case 'n' : + case 'n' : n_iter = atoi(optarg); break; - case 'b' : + case 'b' : beam = get_beam_parameters(optarg); if ( beam == NULL ) { ERROR("Failed to load beam parameters" @@ -362,15 +363,16 @@ int main(int argc, char *argv[]) } break; - case 'r' : + case 'r' : reference_file = strdup(optarg); break; - case 0 : + case 0 : break; - default : + default : return 1; + } } diff --git a/src/pattern_sim.c b/src/pattern_sim.c index c207e0dc..03b009b4 100644 --- a/src/pattern_sim.c +++ b/src/pattern_sim.c @@ -294,15 +294,16 @@ int main(int argc, char *argv[]) longopts, NULL)) != -1) { switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 'r' : + case 'r' : config_randomquat = 1; break; - case 'n' : + case 'n' : n_images = strtol(optarg, &rval, 10); if ( *rval != '\0' ) { ERROR("Invalid number of images.\n"); @@ -310,43 +311,43 @@ int main(int argc, char *argv[]) } break; - case 'i' : + case 'i' : intfile = strdup(optarg); break; - case 't' : + case 't' : grad_str = strdup(optarg); break; - case 'p' : + case 'p' : filename = strdup(optarg); break; - case 'o' : + case 'o' : outfile = strdup(optarg); break; - case 'w' : + case 'w' : powder_fn = strdup(optarg); break; - case 'g' : + case 'g' : geometry = strdup(optarg); break; - case 'b' : + case 'b' : beamfile = strdup(optarg); break; - case 'y' : + case 'y' : sym_str = strdup(optarg); break; - case 2 : + case 2 : gpu_dev = atoi(optarg); break; - case 3 : + case 3 : min_size = strtod(optarg, &rval); if ( *rval != '\0' ) { ERROR("Invalid minimum size.\n"); @@ -355,7 +356,7 @@ int main(int argc, char *argv[]) random_size++; break; - case 4 : + case 4 : max_size = strtod(optarg, &rval); if ( *rval != '\0' ) { ERROR("Invalid maximum size.\n"); @@ -364,11 +365,12 @@ int main(int argc, char *argv[]) random_size++; break; - case 0 : + case 0 : break; - default : + default : return 1; + } } diff --git a/src/post-refinement.c b/src/post-refinement.c index cf7b2576..78c47d07 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -241,7 +241,7 @@ static void apply_shift(struct image *image, int k, double shift) { switch ( k ) { - case REF_DIV : + case REF_DIV : if ( isnan(shift) ) { ERROR("NaN divergence shift\n"); } else { @@ -250,23 +250,23 @@ static void apply_shift(struct image *image, int k, double shift) } break; - case REF_R : + case REF_R : image->profile_radius += shift; break; - case REF_ASX : - case REF_ASY : - case REF_ASZ : - case REF_BSX : - case REF_BSY : - case REF_BSZ : - case REF_CSX : - case REF_CSY : - case REF_CSZ : + case REF_ASX : + case REF_ASY : + case REF_ASZ : + case REF_BSX : + case REF_BSY : + case REF_BSZ : + case REF_CSX : + case REF_CSY : + case REF_CSZ : apply_cell_shift(image->indexed_cell, k, shift); break; - default : + default : ERROR("No shift defined for parameter %i\n", k); abort(); diff --git a/src/powder_plot.c b/src/powder_plot.c index 3f49695a..049b9c0e 100644 --- a/src/powder_plot.c +++ b/src/powder_plot.c @@ -775,51 +775,51 @@ int main(int argc, char *argv[]) switch (c) { - case 'h' : + case 'h' : show_help(argv[0]); return 0; - case 'i' : + case 'i' : filename = strdup(optarg); break; - case 'o' : + case 'o' : output = strdup(optarg); break; - case 'g' : + case 'g' : geometry = strdup(optarg); break; - case 'b' : + case 'b' : beamf = strdup(optarg); break; - case 'p' : + case 'p' : pdb = strdup(optarg); break; - case 'y' : + case 'y' : sym_str = strdup(optarg); break; - case 's' : + case 's' : hist_info.histsize = atoi(optarg); break; - case 'e' : + case 'e' : element = strdup(optarg); break; - case 1 : + case 1 : hist_info.q_max = atof(optarg); break; - case 2 : + case 2 : hist_info.q_min = atof(optarg); break; - case 3 : + case 3 : if (strcmp(optarg, "linear") == 0 ) { hist_info.spacing = LINEAR; } else if (strcmp(optarg, "wilson") == 0 ) { @@ -832,14 +832,14 @@ int main(int argc, char *argv[]) } break; - case 'd' : + case 'd' : datatype = strdup(optarg); break; - case 0 : + case 0 : break; - default : + default : return 1; } @@ -1096,45 +1096,50 @@ int main(int argc, char *argv[]) } /* Process reflections based on file type and data type */ - switch (file_type) { - case FILE_H5 : + switch ( file_type ) { + case FILE_H5 : n_patterns++; n_peaks = process_h5(&image, &hist_info, histdata); free(image.data); break; - case FILE_HKL : + case FILE_HKL : n_patterns++; //inc number of patterns used n_peaks = process_hkl(&image, sym, cell, &hist_info, histdata, q_scaling, use_redundancy); break; - case FILE_STREAM : - switch (data_type) { - case PLOT_REFL : + case FILE_STREAM : + switch ( data_type ) { + + case PLOT_REFL : n_peaks = process_stream_reflection(fh, &image, &hist_info, histdata, &n_patterns); break; - case PLOT_HKL : + + case PLOT_HKL : n_peaks = process_stream_hkl(fh, &image, &hist_info, + histdata, cell, &n_patterns); break; - case PLOT_PEAKS : + case PLOT_PEAKS : n_peaks = process_stream_peaks(fh, &image, &hist_info, histdata, &n_patterns, only_indexed); break; - case PLOT_H5 : + + case PLOT_H5 : n_peaks = process_stream_h5(fh, &image, &hist_info, histdata, config_satcorr, only_indexed, &n_patterns, element); break; - default : + + default : break; } fclose(fh); break; - default : + default : break; } diff --git a/src/render_hkl.c b/src/render_hkl.c index a63cbad3..a01e7609 100644 --- a/src/render_hkl.c +++ b/src/render_hkl.c @@ -118,23 +118,29 @@ static double max_value(RefList *list, int wght, const SymOpList *sym) n = num_equivs(sym, m); switch ( wght ) { - case WGHT_I : + + case WGHT_I : val = get_intensity(refl); break; - case WGHT_SQRTI : + + case WGHT_SQRTI : val = get_intensity(refl); val = (val>0.0) ? sqrt(val) : 0.0; break; - case WGHT_COUNTS : + + case WGHT_COUNTS : val = get_redundancy(refl); val /= (double)n; break; - case WGHT_RAWCOUNTS : + + case WGHT_RAWCOUNTS : val = get_redundancy(refl); break; - default : + + default : ERROR("Invalid weighting.\n"); abort(); + } if ( val > max ) max = val; @@ -192,23 +198,29 @@ static void draw_circles(double xh, double xk, double xl, yi = (h*yh + k*yk + l*yl) / ny; switch ( wght) { - case WGHT_I : + + case WGHT_I : val = get_intensity(refl); break; - case WGHT_SQRTI : + + case WGHT_SQRTI : val = get_intensity(refl); val = (val>0.0) ? sqrt(val) : 0.0; break; - case WGHT_COUNTS : + + case WGHT_COUNTS : val = get_redundancy(refl); val /= (double)n; break; - case WGHT_RAWCOUNTS : + + case WGHT_RAWCOUNTS : val = get_redundancy(refl); break; - default : + + default : ERROR("Invalid weighting.\n"); abort(); + } /* Absolute location in image based on 2D basis */ @@ -621,43 +633,44 @@ int main(int argc, char *argv[]) longopts, NULL)) != -1) { switch (c) { - case 'h' : + + case 'h' : show_help(argv[0]); return 0; - case 'p' : + case 'p' : pdb = strdup(optarg); break; - case 'b' : + case 'b' : boost = atof(optarg); break; - case 'y' : + case 'y' : sym_str = strdup(optarg); break; - case 'w' : + case 'w' : weighting = strdup(optarg); break; - case 'c' : + case 'c' : cscale = strdup(optarg); break; - case 'd' : + case 'd' : down = strdup(optarg); break; - case 'r' : + case 'r' : right = strdup(optarg); break; - case 'o' : + case 'o' : outfile = strdup(optarg); break; - case 2 : + case 2 : errno = 0; scale_top = strtod(optarg, &endptr); if ( !( (optarg[0] != '\0') && (endptr[0] == '\0') ) @@ -672,11 +685,12 @@ int main(int argc, char *argv[]) } break; - case 0 : + case 0 : break; - default : + default : return 1; + } } -- cgit v1.2.3