From 189da15810deabd739d7c11c6e95fea55739fe60 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Sat, 1 Aug 2020 15:13:49 +0200
Subject: Initial import from archive

---
 src/data.c | 162 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 162 insertions(+)
 create mode 100644 src/data.c

(limited to 'src/data.c')

diff --git a/src/data.c b/src/data.c
new file mode 100644
index 0000000..5a2829f
--- /dev/null
+++ b/src/data.c
@@ -0,0 +1,162 @@
+/*
+ * data.c
+ *
+ * Handle the input data
+ *
+ * (c) 2006-2008 Thomas White <taw27@cam.ac.uk>
+ *
+ *  Synth2d - two-dimensional Fourier synthesis
+ *
+ */
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+#include <fftw3.h>
+#include <string.h>
+
+#include "main.h"
+#include "data.h"
+#include "reflist.h"
+#include "displaywindow.h"
+
+signed int data_width_hidden = 512;
+signed int data_height_hidden = 512;
+float data_a_hidden = 1;
+float data_b_hidden = 1;
+float data_c_hidden = 1;
+double data_gamma_hidden = M_PI_2;
+ReflectionList *data_reflections = NULL;
+int data_image_scale = 500;
+
+unsigned int data_width() { return data_width_hidden; }
+unsigned int data_height() { return data_height_hidden; }
+double data_a() { return data_a_hidden; }
+double data_b() { return data_b_hidden; }
+double data_c() { return data_c_hidden; }
+double data_gamma() { return data_gamma_hidden; }
+unsigned int data_get_image_scale() { return data_image_scale; }
+
+static void data_calculatesize() {
+	data_width_hidden = data_a_hidden*data_image_scale;
+	data_height_hidden = data_b_hidden*data_image_scale;
+}
+
+void data_dividecell(unsigned int na, unsigned int nb, unsigned int nc) {
+	data_a_hidden /= na;
+	data_b_hidden /= nb;
+	data_c_hidden /= nc;
+	data_calculatesize();
+}
+
+int data_read(const char *filename) {
+
+	FILE *fh;
+	char *line;
+	char *rval;
+	unsigned int whoops = 0;
+	float gamma_angle = 90;
+	signed int laue = 0;
+
+	if ( data_reflections ) {
+		free(data_reflections);
+	}
+	data_reflections = reflist_new();
+
+	fh = fopen(filename, "r");
+	if ( !fh ) {
+		fprintf(stderr, "DA: Couldn't open file %s\n", filename);
+		return 1;
+	}
+	line = malloc(1024);
+	rval = "hello";
+	while ( rval ) {
+
+		signed int h, k, l;
+		float am, intensity;
+		float ph = 0;
+		int res;
+
+		rval = fgets(line, 1023, fh);
+		if ( ferror(fh) && !feof(fh) ) {
+			whoops = 1;
+			break;
+		}
+		if ( strlen(line) > 1 ) {
+			if ( line[strlen(line)-1] == '\n' ) {
+				line[strlen(line)-1] = '\0';	/* Cut off trailing newline. */
+			}
+		} else {
+			line[0] = '\0';
+		}
+
+		res = sscanf(line, "%3i %3i %3i %f %f", &h, &k, &l, &intensity, &ph);
+		if ( intensity > 0.0) am = sqrt(intensity);
+		if ( (res < 4) && gamma_angle ) {
+			sscanf(line, "angle %f", &gamma_angle);
+			sscanf(line, "a %f", &data_a_hidden);
+			sscanf(line, "b %f", &data_b_hidden);
+			sscanf(line, "c %f", &data_c_hidden);
+			sscanf(line, "scale %i", &data_image_scale);
+		} else {
+			if ( res == 5 ) {
+
+				if ( (h==0) && (k==0) && (l==0) ) {
+					printf("DA: Data contains a zero-order beam value.\n");
+				} else if ( (h==0) && (k==0) ) {
+					printf("DA: Data may contain a zero-order beam value.\n");
+				}
+				if ( (l != laue) && (laue != 999999) ) {
+					//printf("DA: WARNING: Data is from more than one Laue zone\n");
+				} else {
+					laue = l;
+					reflist_addref_am_ph(data_reflections, h, k, l, am, ph);
+				}
+			} else {
+				if ( (h==0) && (k==0) && (l==0) ) {
+					printf("DA: Data contains a zero-order beam value.\n");
+				} else if ( (h==0) && (k==0) ) {
+					printf("DA: Data may contain a zero-order beam value.\n");
+				}
+				if ( (l != laue) && (laue != 999999) ) {
+					//printf("DA: WARNING: Data is from more than one Laue zone\n");
+				} else {
+					laue = l;
+					reflist_addref_am(data_reflections, h, k, l, am);
+				}
+			}
+		}
+
+		line[0] = '\0';	/* Prevent this line from being parsed twice. */
+
+	}
+
+	fclose(fh);
+	free(line);
+
+	if ( whoops ) {
+		fprintf(stderr, "Couldn't read file %s\n", filename);
+		return 1;
+	}
+
+	data_calculatesize();
+	printf("a=%f, b=%f, width=%i, height=%i, gamma=%f\n", data_a_hidden, data_b_hidden, data_width_hidden, data_height_hidden, gamma_angle);
+	data_gamma_hidden = (gamma_angle/180)*M_PI;
+
+	return 0;
+
+}
+
+ReflectionList *data_getreflections() {
+	return data_reflections;
+}
+
+void data_free() {
+
+	reflist_free(data_reflections);
+
+}
-- 
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