Introduce "libcrystfel"

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;
+}