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authorThomas White <taw@physics.org>2011-11-15 12:05:55 +0100
committerThomas White <taw@physics.org>2012-02-22 15:27:40 +0100
commit38089071300b8e04ed42236dd08d9055094fb3b8 (patch)
tree91e1487ac820eb549e7652750867cd4fec039097 /libcrystfel/src/beam-parameters.c
parent404c612223dbfa0210902ebc5c9226927335aa65 (diff)
Introduce "libcrystfel"
Diffstat (limited to 'libcrystfel/src/beam-parameters.c')
-rw-r--r--libcrystfel/src/beam-parameters.c133
1 files changed, 133 insertions, 0 deletions
diff --git a/libcrystfel/src/beam-parameters.c b/libcrystfel/src/beam-parameters.c
new file mode 100644
index 00000000..ac30ad04
--- /dev/null
+++ b/libcrystfel/src/beam-parameters.c
@@ -0,0 +1,133 @@
+/*
+ * beam-parameters.c
+ *
+ * Beam parameters
+ *
+ * (c) 2006-2010 Thomas White <taw@physics.org>
+ *
+ * Part of CrystFEL - crystallography with a FEL
+ *
+ */
+
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#include <stdio.h>
+#include <stdlib.h>
+
+#include "beam-parameters.h"
+#include "utils.h"
+
+
+struct beam_params *get_beam_parameters(const char *filename)
+{
+ FILE *fh;
+ struct beam_params *b;
+ char *rval;
+ int reject;
+
+ fh = fopen(filename, "r");
+ if ( fh == NULL ) return NULL;
+
+ b = calloc(1, sizeof(struct beam_params));
+ if ( b == NULL ) return NULL;
+
+ b->fluence = -1.0;
+ b->beam_radius = -1.0;
+ b->photon_energy = -1.0;
+ b->bandwidth = -1.0;
+ b->divergence = -1.0;
+ b->dqe = -1.0;
+ b->adu_per_photon = -1.0;
+
+ do {
+
+ int n1;
+ char line[1024];
+ int i;
+ char **bits;
+
+ rval = fgets(line, 1023, fh);
+ if ( rval == NULL ) break;
+ chomp(line);
+
+ n1 = assplode(line, " \t", &bits, ASSPLODE_NONE);
+ if ( n1 < 3 ) {
+ for ( i=0; i<n1; i++ ) free(bits[i]);
+ free(bits);
+ continue;
+ }
+
+ if ( bits[1][0] != '=' ) {
+ for ( i=0; i<n1; i++ ) free(bits[i]);
+ free(bits);
+ continue;
+ }
+
+ if ( strcmp(bits[0], "beam/fluence") == 0 ) {
+ b->fluence = atof(bits[2]);
+ } else if ( strcmp(bits[0], "beam/radius") == 0 ) {
+ b->beam_radius = atof(bits[2]);
+ } else if ( strcmp(bits[0], "beam/photon_energy") == 0 ) {
+ b->photon_energy = atof(bits[2]);
+ } else if ( strcmp(bits[0], "beam/bandwidth") == 0 ) {
+ b->bandwidth = atof(bits[2]);
+ } else if ( strcmp(bits[0], "beam/divergence") == 0 ) {
+ b->divergence = atof(bits[2]);
+ } else if ( strcmp(bits[0], "detector/dqe") == 0 ) {
+ b->dqe = atof(bits[2]);
+ } else if ( strcmp(bits[0], "detector/adu_per_photon") == 0 ) {
+ b->adu_per_photon = atof(bits[2]);
+ } else {
+ ERROR("Unrecognised field '%s'\n", bits[0]);
+ }
+
+ for ( i=0; i<n1; i++ ) free(bits[i]);
+ free(bits);
+
+ } while ( rval != NULL );
+ fclose(fh);
+
+ reject = 0;
+
+ if ( b->fluence < 0.0 ) {
+ ERROR("Invalid or unspecified value for 'beam/fluence'.\n");
+ reject = 1;
+ }
+ if ( b->beam_radius < 0.0 ) {
+ ERROR("Invalid or unspecified value for 'beam/radius'.\n");
+ reject = 1;
+ }
+ if ( b->photon_energy < 0.0 ) {
+ ERROR("Invalid or unspecified value for"
+ " 'beam/photon_energy'.\n");
+ reject = 1;
+ }
+ if ( b->bandwidth < 0.0 ) {
+ ERROR("Invalid or unspecified value for 'beam/bandwidth'.\n");
+ reject = 1;
+ }
+ if ( b->divergence < 0.0 ) {
+ ERROR("Invalid or unspecified value for 'beam/divergence'.\n");
+ reject = 1;
+ }
+ if ( b->dqe < 0.0 ) {
+ ERROR("Invalid or unspecified value for 'detector/dqe'.\n");
+ reject = 1;
+ }
+ if ( b->adu_per_photon < 0.0 ) {
+ ERROR("Invalid or unspecified value for"
+ " 'detector/adu_per_photon'.\n");
+ reject = 1;
+ }
+
+ if ( reject ) {
+ ERROR("Please fix the above problems with the beam"
+ " parameters file and try again.\n");
+ return NULL;
+ }
+
+ return b;
+}