From c253b180f8970b380345e900f17d799e97de5d93 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 27 Nov 2009 17:44:19 +0100 Subject: Macros for status and error messages --- src/sfac.c | 39 +++++++++++++++++++-------------------- 1 file changed, 19 insertions(+), 20 deletions(-) (limited to 'src/sfac.c') diff --git a/src/sfac.c b/src/sfac.c index cd76407f..ac1546e4 100644 --- a/src/sfac.c +++ b/src/sfac.c @@ -49,7 +49,7 @@ static double complex get_f1f2(const char *n, double en) snprintf(filename, 63, "scattering-factors/%s.nff", n); fh = fopen(filename, "r"); if ( fh == NULL ) { - fprintf(stderr, "Couldn't open file '%s'\n", filename); + ERROR("Couldn't open file '%s'\n", filename); return 0.0; } @@ -71,7 +71,7 @@ static double complex get_f1f2(const char *n, double en) r = sscanf(line, "%f %f %f", &E_f, &f1_f, &f2_f); if ( r != 3 ) { - fprintf(stderr, "WTF?\n"); + ERROR("WTF?\n"); abort(); } /* Promote to double precision */ @@ -112,8 +112,7 @@ static double complex get_f1f2(const char *n, double en) fclose(fh); - fprintf(stderr, "Couldn't find scattering factors for '%s' at %f eV!\n", - n, en); + ERROR("Couldn't find scattering factors for '%s' at %f eV!\n", n, en); return 0.0; } @@ -173,7 +172,7 @@ static double get_waas_kirf(const char *n, double s) fh = fopen("scattering-factors/f0_WaasKirf.dat", "r"); if ( fh == NULL ) { - fprintf(stderr, "Couldn't open f0_WaasKirf.dat\n"); + ERROR("Couldn't open f0_WaasKirf.dat\n"); return 0.0; } @@ -202,8 +201,8 @@ static double get_waas_kirf(const char *n, double s) &a1, &a2, &a3, &a4, &a5, &c, &b1, &b2, &b3, &b4, &b5); if ( r != 11 ) { - fprintf(stderr, "Couldn't read scattering " - "factors (WaasKirf)\n"); + ERROR("Couldn't read scattering " + "factors (WaasKirf)\n"); return 0.0; } @@ -304,7 +303,7 @@ static void centre_molecule(struct molecule *mol) } - printf("Molecule was shifted by %5.3f, %5.3f, %5.3f nm\n", + STATUS("Molecule was shifted by %5.3f, %5.3f, %5.3f nm\n", mol->xc*1e9, mol->yc*1e9, mol->zc*1e9); } @@ -334,7 +333,7 @@ struct molecule *load_molecule() fh = fopen("molecule.pdb", "r"); if ( fh == NULL ) { - fprintf(stderr, "Couldn't open file\n"); + ERROR("Couldn't open file\n"); return NULL; } @@ -366,7 +365,7 @@ struct molecule *load_molecule() coords = line + 29; r = sscanf(coords, "%f %f %f %f %f", &xf, &yf, &zf, &occf, &Bf); if ( r != 5 ) { - fprintf(stderr, "WTF?\n"); + ERROR("WTF?\n"); abort(); } /* Promote to double precision */ @@ -421,9 +420,9 @@ struct molecule *load_molecule() centre_molecule(mol); - printf("There are %i species\n", mol->n_species); + STATUS("There are %i species\n", mol->n_species); for ( i=0; in_species; i++ ) { - printf("%3s : %6i\n", mol->species[i]->species, + STATUS("%3s : %6i\n", mol->species[i]->species, mol->species[i]->n_atoms); } @@ -504,7 +503,7 @@ double complex *get_reflections(struct molecule *mol, double en) "Calculating structure factors"); } } - //printf("Total scattered = %f, F000 = %f\n", tscat, F00); + //STATUS("Total scattered = %f, F000 = %f\n", tscat, F00); return reflections; } @@ -520,37 +519,37 @@ void get_reflections_cached(struct molecule *mol, double en) snprintf(s, 1023, "reflections-%ieV.cache", (int)(J_to_eV(en)+0.5)); fh = fopen(s, "rb"); if ( fh == NULL ) { - printf("No cache file found (looked for %s)\n", s); + STATUS("No cache file found (looked for %s)\n", s); goto calc; } mol->reflections = new_list_sfac(); r = fread(mol->reflections, sizeof(double complex), IDIM*IDIM*IDIM, fh); if ( r < IDIM*IDIM*IDIM ) { - printf("Found cache file (%s), but failed to read.\n", s); + STATUS("Found cache file (%s), but failed to read.\n", s); goto calc; } - printf("Read structure factors (at Bragg positions) from %s\n", s); + STATUS("Read structure factors (at Bragg positions) from %s\n", s); return; calc: - printf("Calculating structure factors at Bragg positions...\n"); + STATUS("Calculating structure factors at Bragg positions...\n"); mol->reflections = get_reflections(mol, en); fh = fopen(s, "wb"); if ( fh == NULL ) { - printf("Failed to write cache file (%s)\n", s); + STATUS("Failed to write cache file (%s)\n", s); return; } r = fwrite(mol->reflections, sizeof(double complex), IDIM*IDIM*IDIM, fh); if ( r < IDIM*IDIM*IDIM ) { - printf("Failed to write cache file (%s)\n", s); + STATUS("Failed to write cache file (%s)\n", s); return; } fclose(fh); - printf("Successfully saved structure factors at Bragg positions to" + STATUS("Successfully saved structure factors at Bragg positions to" " file %s\n", s); } -- cgit v1.2.3